Daily Papers

Large Language Models (LLMs) have demonstrated impressive performance across various downstream tasks. When training these models, there is a growing inclination to process more tokens on larger training scales but with relatively smaller model sizes. Zero Redundancy Optimizer (ZeRO), although effective in conventional training environments, grapples with scaling challenges when confronted with this emerging paradigm. To this end, we propose a novel LLM training framework AMSP, which undertakes a granular partitioning of model states, encompassing parameters (P), gradient (G), and optimizer states (OS). Specifically, AMSP(1) builds a unified partitioning space, enabling independent partitioning strategies for P, G, and OS; (2) incorporates a scale-aware partitioner to autonomously search for optimal partitioning strategies: (3) designs a dedicated communication optimizer to ensure proficient management of data placement discrepancies arising from diverse partitioning strategies. Our evaluations show that AMSP achieves up to 90.3% scaling efficiency across 1024 GPUs.

Existing large language models have to run K times to generate a sequence of K tokens. In this paper, we present RecycleGPT, a generative language model with fast decoding speed by recycling pre-generated model states without running the whole model in multiple steps. Our approach relies on the observation that adjacent tokens in a sequence usually have strong correlations and the next token in a sequence can be reasonably guessed or inferred based on the preceding ones. Through theoretical evaluations and practical tests on downstream text generation tasks, we demonstrate the effectiveness of our approach in lowering inference latency, achieving up to 1.4x speedup while preserving high performance.

Existing vision-language models exhibit strong generalization on a variety of visual domains and tasks. However, such models mainly perform zero-shot recognition in a closed-set manner, and thus struggle to handle open-domain visual concepts by design. There are recent finetuning methods, such as prompt learning, that not only study the discrimination between in-distribution (ID) and out-of-distribution (OOD) samples, but also show some improvements in both ID and OOD accuracies. In this paper, we first demonstrate that vision-language models, after long enough finetuning but without proper regularization, tend to overfit the known classes in the given dataset, with degraded performance on unknown classes. Then we propose a novel approach OGEN to address this pitfall, with the main focus on improving the OOD GENeralization of finetuned models. Specifically, a class-conditional feature generator is introduced to synthesize OOD features using just the class name of any unknown class. Such synthesized features will provide useful knowledge about unknowns and help regularize the decision boundary between ID and OOD data when optimized jointly. Equally important is our adaptive self-distillation mechanism to regularize our feature generation model during joint optimization, i.e., adaptively transferring knowledge between model states to further prevent overfitting. Experiments validate that our method yields convincing gains in OOD generalization performance in different settings.

Abstractive summarization systems today produce fluent and relevant output, but often "hallucinate" statements not supported by the source text. We analyze the connection between hallucinations and training data, and find evidence that models hallucinate because they train on target summaries that are unsupported by the source. Based on our findings, we present PINOCCHIO, a new decoding method that improves the consistency of a transformer-based abstractive summarizer by constraining beam search to avoid hallucinations. Given the model states and outputs at a given step, PINOCCHIO detects likely model hallucinations based on various measures of attribution to the source text. PINOCCHIO backtracks to find more consistent output, and can opt to produce no summary at all when no consistent generation can be found. In experiments, we find that PINOCCHIO improves the consistency of generation (in terms of F1) by an average of~67% on two abstractive summarization datasets.

We present evidence that language models can learn meaning despite being trained only to perform next token prediction on text, specifically a corpus of programs. Each program is preceded by a specification in the form of (textual) input-output examples. Working with programs enables us to precisely define concepts relevant to meaning in language (e.g., correctness and semantics), making program synthesis well-suited as an intermediate testbed for characterizing the presence (or absence) of meaning in language models. We first train a Transformer model on the corpus of programs, then probe the trained model's hidden states as it completes a program given a specification. Despite providing no inductive bias toward learning the semantics of the language, we find that a linear probe is able to extract abstractions of both current and future program states from the model states. Moreover, there is a strong, statistically significant correlation between the accuracy of the probe and the model's ability to generate a program that implements the specification. To evaluate whether the semantics are represented in the model states rather than learned by the probe, we design a novel experimental procedure that intervenes on the semantics of the language while preserving the lexicon and syntax. We also demonstrate that the model learns to generate correct programs that are, on average, shorter than those in the training set, which is evidence that language model outputs may differ from the training distribution in semantically meaningful ways. In summary, this paper does not propose any new techniques for training language models, but develops an experimental framework for and provides insights into the acquisition and representation of (formal) meaning in language models.

Catastrophic forgetting remains a major challenge when adapting large language models (LLMs) to new tasks or domains. Conventional fine-tuning often overwrites existing knowledge, causing performance degradation on original tasks. We introduce Superposition in Transformers, a novel architecture that leverages autoencoders to superimpose the hidden representations of a base model and a fine-tuned model within a shared parameter space. By using B-spline-based blending coefficients and autoencoders that adaptively reconstruct hidden states based on the input data distribution, our method effectively mitigates catastrophic forgetting and enables a new paradigm of "in-model" superposition. This approach preserves original model capabilities while allowing compact domain-specific expertise to be added, and it supports dynamic switching between model states during inference.

In this work, we propose novel decoding algorithms to enable streaming automatic speech recognition (ASR) on unsegmented long-form recordings without voice activity detection (VAD), based on monotonic chunkwise attention (MoChA) with an auxiliary connectionist temporal classification (CTC) objective. We propose a block-synchronous beam search decoding to take advantage of efficient batched output-synchronous and low-latency input-synchronous searches. We also propose a VAD-free inference algorithm that leverages CTC probabilities to determine a suitable timing to reset the model states to tackle the vulnerability to long-form data. Experimental evaluations demonstrate that the block-synchronous decoding achieves comparable accuracy to the label-synchronous one. Moreover, the VAD-free inference can recognize long-form speech robustly for up to a few hours.

The fundamental success of large language models hinges upon the efficacious implementation of large-scale distributed training techniques. Nevertheless, building a vast, high-performance cluster featuring high-speed communication interconnectivity is prohibitively costly, and accessible only to prominent entities. In this work, we aim to lower this barrier and democratize large-scale training with limited bandwidth clusters. We propose a new approach called CO2 that introduces local-updating and asynchronous communication to the distributed data-parallel training, thereby facilitating the full overlap of COmunication with COmputation. CO2 is able to attain a high scalability even on extensive multi-node clusters constrained by very limited communication bandwidth. We further propose the staleness gap penalty and outer momentum clipping techniques together with CO2 to bolster its convergence and training stability. Besides, CO2 exhibits seamless integration with well-established ZeRO-series optimizers which mitigate memory consumption of model states with large model training. We also provide a mathematical proof of convergence, accompanied by the establishment of a stringent upper bound. Furthermore, we validate our findings through an extensive set of practical experiments encompassing a wide range of tasks in the fields of computer vision and natural language processing. These experiments serve to demonstrate the capabilities of CO2 in terms of convergence, generalization, and scalability when deployed across configurations comprising up to 128 A100 GPUs. The outcomes emphasize the outstanding capacity of CO2 to hugely improve scalability, no matter on clusters with 800Gbps RDMA or 80Gbps TCP/IP inter-node connections.

Large Language Models (LLMs) have showcased remarkable impacts across a wide spectrum of natural language processing tasks. Fine-tuning these pre-trained models on downstream datasets provides further significant performance gains, but this process has been challenging due to its extraordinary resource requirements. To this end, existing efforts focus on parameter-efficient fine-tuning, which, unfortunately, fail to capitalize on the powerful potential of full-parameter fine-tuning. In this work, we propose QFT, a novel Quantized Full-parameter Tuning framework for LLMs that enables memory-efficient fine-tuning without harming performance. Our framework incorporates two novel ideas: (i) we adopt the efficient Lion optimizer, which only keeps track of the momentum and has consistent update magnitudes for each parameter, an inherent advantage for robust quantization; and (ii) we quantize all model states and store them as integer values, and present a gradient flow and parameter update scheme for the quantized weights. As a result, QFT reduces the model state memory to 21% of the standard solution while achieving comparable performance, e.g., tuning a LLaMA-7B model requires only <30GB of memory, satisfied by a single A6000 GPU.

Parallel text-to-speech models have been widely applied for real-time speech synthesis, and they offer more controllability and a much faster synthesis process compared with conventional auto-regressive models. Although parallel models have benefits in many aspects, they become naturally unfit for incremental synthesis due to their fully parallel architecture such as transformer. In this work, we propose Incremental FastPitch, a novel FastPitch variant capable of incrementally producing high-quality Mel chunks by improving the architecture with chunk-based FFT blocks, training with receptive-field constrained chunk attention masks, and inference with fixed size past model states. Experimental results show that our proposal can produce speech quality comparable to the parallel FastPitch, with a significant lower latency that allows even lower response time for real-time speech applications.

A faithful and interpretable explanation of an AI model's behavior and internal structure is a high-level explanation that is human-intelligible but also consistent with the known, but often opaque low-level causal details of the model. We argue that the theory of causal abstraction provides the mathematical foundations for the desired kinds of model explanations. In causal abstraction analysis, we use interventions on model-internal states to rigorously assess whether an interpretable high-level causal model is a faithful description of an AI model. Our contributions in this area are: (1) We generalize causal abstraction to cyclic causal structures and typed high-level variables. (2) We show how multi-source interchange interventions can be used to conduct causal abstraction analyses. (3) We define a notion of approximate causal abstraction that allows us to assess the degree to which a high-level causal model is a causal abstraction of a lower-level one. (4) We prove constructive causal abstraction can be decomposed into three operations we refer to as marginalization, variable-merge, and value-merge. (5) We formalize the XAI methods of LIME, causal effect estimation, causal mediation analysis, iterated nullspace projection, and circuit-based explanations as special cases of causal abstraction analysis.

Models of many engineering and natural systems are imperfect. The discrepancy between the mathematical representations of a true physical system and its imperfect model is called the model error. These model errors can lead to substantial differences between the numerical solutions of the model and the state of the system, particularly in those involving nonlinear, multi-scale phenomena. Thus, there is increasing interest in reducing model errors, particularly by leveraging the rapidly growing observational data to understand their physics and sources. Here, we introduce a framework named MEDIDA: Model Error Discovery with Interpretability and Data Assimilation. MEDIDA only requires a working numerical solver of the model and a small number of noise-free or noisy sporadic observations of the system. In MEDIDA, first the model error is estimated from differences between the observed states and model-predicted states (the latter are obtained from a number of one-time-step numerical integrations from the previous observed states). If observations are noisy, a data assimilation (DA) technique such as ensemble Kalman filter (EnKF) is employed to provide the analysis state of the system, which is then used to estimate the model error. Finally, an equation-discovery technique, here the relevance vector machine (RVM), a sparsity-promoting Bayesian method, is used to identify an interpretable, parsimonious, and closed-form representation of the model error. Using the chaotic Kuramoto-Sivashinsky (KS) system as the test case, we demonstrate the excellent performance of MEDIDA in discovering different types of structural/parametric model errors, representing different types of missing physics, using noise-free and noisy observations.

Interventions on model-internal states are fundamental operations in many areas of AI, including model editing, steering, robustness, and interpretability. To facilitate such research, we introduce pyvene, an open-source Python library that supports customizable interventions on a range of different PyTorch modules. pyvene supports complex intervention schemes with an intuitive configuration format, and its interventions can be static or include trainable parameters. We show how pyvene provides a unified and extensible framework for performing interventions on neural models and sharing the intervened upon models with others. We illustrate the power of the library via interpretability analyses using causal abstraction and knowledge localization. We publish our library through Python Package Index (PyPI) and provide code, documentation, and tutorials at https://github.com/stanfordnlp/pyvene.

We propose semantic entropy probes (SEPs), a cheap and reliable method for uncertainty quantification in Large Language Models (LLMs). Hallucinations, which are plausible-sounding but factually incorrect and arbitrary model generations, present a major challenge to the practical adoption of LLMs. Recent work by Farquhar et al. (2024) proposes semantic entropy (SE), which can detect hallucinations by estimating uncertainty in the space semantic meaning for a set of model generations. However, the 5-to-10-fold increase in computation cost associated with SE computation hinders practical adoption. To address this, we propose SEPs, which directly approximate SE from the hidden states of a single generation. SEPs are simple to train and do not require sampling multiple model generations at test time, reducing the overhead of semantic uncertainty quantification to almost zero. We show that SEPs retain high performance for hallucination detection and generalize better to out-of-distribution data than previous probing methods that directly predict model accuracy. Our results across models and tasks suggest that model hidden states capture SE, and our ablation studies give further insights into the token positions and model layers for which this is the case.

Pretrained language models sometimes possess knowledge that we do not wish them to, including memorized personal information and knowledge that could be used to harm people. They can also output toxic or harmful text. To mitigate these safety and informational issues, we propose an attack-and-defense framework for studying the task of deleting sensitive information directly from model weights. We study direct edits to model weights because (1) this approach should guarantee that particular deleted information is never extracted by future prompt attacks, and (2) it should protect against whitebox attacks, which is necessary for making claims about safety/privacy in a setting where publicly available model weights could be used to elicit sensitive information. Our threat model assumes that an attack succeeds if the answer to a sensitive question is located among a set of B generated candidates, based on scenarios where the information would be insecure if the answer is among B candidates. Experimentally, we show that even state-of-the-art model editing methods such as ROME struggle to truly delete factual information from models like GPT-J, as our whitebox and blackbox attacks can recover "deleted" information from an edited model 38% of the time. These attacks leverage two key observations: (1) that traces of deleted information can be found in intermediate model hidden states, and (2) that applying an editing method for one question may not delete information across rephrased versions of the question. Finally, we provide new defense methods that protect against some extraction attacks, but we do not find a single universally effective defense method. Our results suggest that truly deleting sensitive information is a tractable but difficult problem, since even relatively low attack success rates have potentially severe societal implications for real-world deployment of language models.

Using language models (LMs) pre-trained in a self-supervised setting on large corpora and then fine-tuning for a downstream task has helped to deal with the problem of limited label data for supervised learning tasks such as Named Entity Recognition (NER). Recent research in biomedical language processing has offered a number of biomedical LMs pre-trained using different methods and techniques that advance results on many BioNLP tasks, including NER. However, there is still a lack of a comprehensive comparison of pre-training approaches that would work more optimally in the biomedical domain. This paper aims to investigate different pre-training methods, such as pre-training the biomedical LM from scratch and pre-training it in a continued fashion. We compare existing methods with our proposed pre-training method of initializing weights for new tokens by distilling existing weights from the BERT model inside the context where the tokens were found. The method helps to speed up the pre-training stage and improve performance on NER. In addition, we compare how masking rate, corruption strategy, and masking strategies impact the performance of the biomedical LM. Finally, using the insights from our experiments, we introduce a new biomedical LM (BIOptimus), which is pre-trained using Curriculum Learning (CL) and contextualized weight distillation method. Our model sets new states of the art on several biomedical Named Entity Recognition (NER) tasks. We release our code and all pre-trained models

It has been well-known that Chain-of-Thought can remarkably enhance LLMs' performance on complex tasks. However, because it also introduces slower inference speeds and higher computational costs, many researches have attempted to use implicit CoT, which does not need LLMs to explicitly generate the intermediate steps. But there is still gap between their efficacy and typical explicit CoT methods. This leaves us a doubt that, does implicit CoT really equal to explicit CoT? Therefore, in this study, we address this question through experiments. We probe the information of intermediate steps from the model's hidden states when it is performing implicit CoT. The results surprisingly indicate that LLMs hardly think about intermediate steps, suggesting they may just rely on experience rather than strict step-by-step reasoning. Moreover, we find LLMs' implicit reasoning capabilities are susceptible and unstable, reaffirming the necessity of explicit CoT to effectively support complex tasks.

Diffusion-based stylization methods typically denoise from a specific partial noise state for image-to-image and video-to-video tasks. This multi-step diffusion process is computationally expensive and hinders real-world application. A promising solution to speed up the process is to obtain few-step consistency models through trajectory distillation. However, current consistency models only force the initial-step alignment between the probability flow ODE (PF-ODE) trajectories of the student and the imperfect teacher models. This training strategy can not ensure the consistency of whole trajectories. To address this issue, we propose single trajectory distillation (STD) starting from a specific partial noise state. We introduce a trajectory bank to store the teacher model's trajectory states, mitigating the time cost during training. Besides, we use an asymmetric adversarial loss to enhance the style and quality of the generated images. Extensive experiments on image and video stylization demonstrate that our method surpasses existing acceleration models in terms of style similarity and aesthetic evaluations. Our code and results will be available on the project page: https://single-trajectory-distillation.github.io.

To combat the memory bandwidth-bound nature of autoregressive LLM inference, previous research has proposed the speculative decoding framework. To perform speculative decoding, a small draft model proposes candidate continuations of the input sequence, that are then verified in parallel by the base model. One way to specify the draft model, as used in the recent Medusa decoding framework, is as a collection of light-weight heads, called draft heads, that operate on the base model's hidden states. To date, all existing draft heads have been sequentially independent, meaning that they speculate tokens in the candidate continuation independently of any preceding tokens in the candidate continuation. In this work, we propose Hydra heads, a sequentially dependent, drop-in replacement for standard draft heads that significantly improves speculation accuracy. Decoding with Hydra heads improves throughput compared to Medusa decoding with standard draft heads. We further explore the design space of Hydra head training objectives and architectures, and propose a carefully-tuned Hydra head recipe, which we call Hydra++, that improves decoding throughput by 1.31x and 2.71x compared to Medusa decoding and autoregressive decoding, respectively. Overall, Hydra heads are a simple intervention on standard draft heads that significantly improve the end-to-end speed of draft head based speculative decoding.

In recent years, large-scale transformer decoders such as the GPT-x family of models have become increasingly popular. Studies examining the behavior of these models tend to focus only on the output of the language modeling head and avoid analysis of the internal states of the transformer decoder. In this study, we present a collection of methods to analyze the hidden states of GPT-2 and use the model's navigation of garden path sentences as a case study. To enable this, we compile the largest currently available dataset of garden path sentences. We show that Manhattan distances and cosine similarities provide more reliable insights compared to established surprisal methods that analyze next-token probabilities computed by a language modeling head. Using these methods, we find that negating tokens have minimal impacts on the model's representations for unambiguous forms of sentences with ambiguity solely over what the object of a verb is, but have a more substantial impact of representations for unambiguous sentences whose ambiguity would stem from the voice of a verb. Further, we find that analyzing the decoder model's hidden states reveals periods of ambiguity that might conclude in a garden path effect but happen not to, whereas surprisal analyses routinely miss this detail.

Many recent breakthroughs in machine learning have been enabled by the pre-trained foundation models. By scaling up model parameters, training data, and computation resources, foundation models have significantly advanced the state-of-the-art in many applications. However, it is still an open question of how to use these models to perform downstream tasks efficiently. Knowledge distillation (KD) has been explored to tackle this challenge. KD transfers knowledge from a large teacher model to a smaller student model. While KD has been successful in improving student model performance, recent research has discovered that a powerful teacher does not necessarily lead to a powerful student, due to their huge capacity gap. In addition, the potential distribution shifts between the pre-training data and downstream tasks can make knowledge transfer in KD sub-optimal for improving downstream task performance. In this paper, we extend KD with an interactive communication process to help students of downstream tasks learn effectively from pre-trained foundation models. Our design is inspired by the way humans learn from teachers who can explain knowledge in a way that meets the students' needs. Specifically, we let each model (i.e., student and teacher) train two components: (1) an encoder encoding the model's hidden states to a message and (2) a decoder decoding any messages to its own hidden states. With encoder and decoder, not only can the teacher transfer rich information by encoding its hidden states, but also the student can send messages with information of downstream tasks to the teacher. Therefore, knowledge passing from teacher to student can be tailored to the student's capacity and downstream tasks' distributions. We conducted experiments on benchmark datasets to show that our communication mechanism outperforms state-of-the-art distillation techniques.

We propose Self-Control, a novel method utilizing suffix gradients to control the behavior of large language models (LLMs) without explicit human annotations. Given a guideline expressed in suffix string and the model's self-assessment of adherence, Self-Control computes the gradient of this self-judgment concerning the model's hidden states, directly influencing the auto-regressive generation process towards desired behaviors. To enhance efficiency, we introduce Self-Control_{prefix}, a compact module that encapsulates the learned representations from suffix gradients into a Prefix Controller, facilitating inference-time control for various LLM behaviors. Our experiments demonstrate Self-Control's efficacy across multiple domains, including emotional modulation, ensuring harmlessness, and enhancing complex reasoning. Especially, Self-Control_{prefix} enables a plug-and-play control and jointly controls multiple attributes, improving model outputs without altering model parameters or increasing inference-time costs.

Large language models (LLMs) are susceptible to hallucinations-outputs that are ungrounded, factually incorrect, or inconsistent with prior generations. We focus on close-book Question Answering (CBQA), where previous work has not fully addressed the distinction between two possible kinds of hallucinations, namely, whether the model (1) does not hold the correct answer in its parameters or (2) answers incorrectly despite having the required knowledge. We argue that distinguishing these cases is crucial for detecting and mitigating hallucinations. Specifically, case (2) may be mitigated by intervening in the model's internal computation, as the knowledge resides within the model's parameters. In contrast, in case (1) there is no parametric knowledge to leverage for mitigation, so it should be addressed by resorting to an external knowledge source or abstaining. To help distinguish between the two cases, we introduce Wrong Answer despite having Correct Knowledge (WACK), an approach for constructing model-specific datasets for the second hallucination type. Our probing experiments indicate that the two kinds of hallucinations are represented differently in the model's inner states. Next, we show that datasets constructed using WACK exhibit variations across models, demonstrating that even when models share knowledge of certain facts, they still vary in the specific examples that lead to hallucinations. Finally, we show that training a probe on our WACK datasets leads to better hallucination detection of case (2) hallucinations than using the common generic one-size-fits-all datasets. The code is available at https://github.com/technion-cs-nlp/hallucination-mitigation .

We provide an optimization-based framework to perform counterfactual analysis in a dynamic model with hidden states. Our framework is grounded in the ``abduction, action, and prediction'' approach to answer counterfactual queries and handles two key challenges where (1) the states are hidden and (2) the model is dynamic. Recognizing the lack of knowledge on the underlying causal mechanism and the possibility of infinitely many such mechanisms, we optimize over this space and compute upper and lower bounds on the counterfactual quantity of interest. Our work brings together ideas from causality, state-space models, simulation, and optimization, and we apply it on a breast cancer case study. To the best of our knowledge, we are the first to compute lower and upper bounds on a counterfactual query in a dynamic latent-state model.

Training large neural networks typically requires sharing gradients between accelerators through specialized high-speed interconnects. Drawing from the signal processing principles of frequency decomposition and energy compaction, we demonstrate that synchronizing full optimizer states and model parameters during training is unnecessary. By decoupling momentum updates and allowing controlled divergence in optimizer states across accelerators, we achieve improved convergence compared to state-of-the-art optimizers. We introduce {De}coupled {Mo}mentum (DeMo), a fused optimizer and data parallel algorithm that reduces inter-accelerator communication requirements by several orders of magnitude. This enables training of large neural networks even with limited network bandwidth and heterogeneous hardware. Our method is topology-agnostic and architecture-independent and supports scalable clock-synchronous distributed training with negligible compute and memory overhead. Empirical results show that models trained with DeMo match or exceed the performance of equivalent models trained with AdamW, while eliminating the need for high-speed interconnects when pre-training large scale foundation models. An open source reference PyTorch implementation is published on GitHub at https://github.com/bloc97/DeMo

Safety-aligned language models often exhibit fragile and imbalanced safety mechanisms, increasing the likelihood of generating unsafe content. In addition, incorporating new knowledge through editing techniques to language models can further compromise safety. To address these issues, we propose SafeInfer, a context-adaptive, decoding-time safety alignment strategy for generating safe responses to user queries. SafeInfer comprises two phases: the safety amplification phase, which employs safe demonstration examples to adjust the model's hidden states and increase the likelihood of safer outputs, and the safety-guided decoding phase, which influences token selection based on safety-optimized distributions, ensuring the generated content complies with ethical guidelines. Further, we present HarmEval, a novel benchmark for extensive safety evaluations, designed to address potential misuse scenarios in accordance with the policies of leading AI tech giants.

We study the variance of stochastic policy gradients (SPGs) with many action samples per state. We derive a many-actions optimality condition, which determines when many-actions SPG yields lower variance as compared to a single-action agent with proportionally extended trajectory. We propose Model-Based Many-Actions (MBMA), an approach leveraging dynamics models for many-actions sampling in the context of SPG. MBMA addresses issues associated with existing implementations of many-actions SPG and yields lower bias and comparable variance to SPG estimated from states in model-simulated rollouts. We find that MBMA bias and variance structure matches that predicted by theory. As a result, MBMA achieves improved sample efficiency and higher returns on a range of continuous action environments as compared to model-free, many-actions, and model-based on-policy SPG baselines.

Language models (LMs) hallucinate. We inquire: Can we detect and mitigate hallucinations before they happen? This work answers this research question in the positive, by showing that the internal representations of LMs provide rich signals that can be used for this purpose. We introduce FactCheckMate, which preemptively detects hallucinations by learning a classifier that predicts whether the LM will hallucinate, based on the model's hidden states produced over the inputs, before decoding begins. If a hallucination is detected, FactCheckMate then intervenes, by adjusting the LM's hidden states such that the model will produce more factual outputs. FactCheckMate provides fresh insights that the inner workings of LMs can be revealed by their hidden states. Practically, both the detection and mitigation models in FactCheckMate are lightweight, adding little inference overhead; FactCheckMate proves a more efficient approach for mitigating hallucinations compared to many post-hoc alternatives. We evaluate FactCheckMate over LMs of different scales and model families (including Llama, Mistral, and Gemma), across a variety of QA datasets from different domains. Our results demonstrate the effectiveness of leveraging internal representations for early hallucination detection and mitigation, achieving over 70% preemptive detection accuracy. On average, outputs generated by LMs with intervention are 34.4% more factual compared to those without intervention. The average overhead difference in the inference time introduced by FactCheckMate is around 3.16 seconds.

Mainstream parameter-efficient fine-tuning (PEFT) methods, such as LoRA or Adapter, project a model's hidden states to a lower dimension, allowing pre-trained models to adapt to new data through this low-rank bottleneck. However, PEFT tasks involving multiple modalities, like vision-language (VL) tasks, require not only adaptation to new data but also learning the relationship between different modalities. Targeting at VL PEFT tasks, we propose a family of operations, called routing functions, to enhance VL alignment in the low-rank bottlenecks. The routing functions adopt linear operations and do not introduce new trainable parameters. In-depth analyses are conducted to study their behavior. In various VL PEFT settings, the routing functions significantly improve performance of the original PEFT methods, achieving over 20% improvement on VQAv2 (RoBERTa_{large}+ViT-L/16) and 30% on COCO Captioning (GPT2-medium+ViT-L/16). Also when fine-tuning a pre-trained multimodal model such as CLIP-BART, we observe smaller but consistent improvements across a range of VL PEFT tasks.

We study the problem of procedure planning in instructional videos, which aims to make a goal-oriented sequence of action steps given partial visual state observations. The motivation of this problem is to learn a structured and plannable state and action space. Recent works succeeded in sequence modeling of steps with only sequence-level annotations accessible during training, which overlooked the roles of states in the procedures. In this work, we point out that State CHangEs MAtter (SCHEMA) for procedure planning in instructional videos. We aim to establish a more structured state space by investigating the causal relations between steps and states in procedures. Specifically, we explicitly represent each step as state changes and track the state changes in procedures. For step representation, we leveraged the commonsense knowledge in large language models (LLMs) to describe the state changes of steps via our designed chain-of-thought prompting. For state change tracking, we align visual state observations with language state descriptions via cross-modal contrastive learning, and explicitly model the intermediate states of the procedure using LLM-generated state descriptions. Experiments on CrossTask, COIN, and NIV benchmark datasets demonstrate that our proposed SCHEMA model achieves state-of-the-art performance and obtains explainable visualizations.

We incorporate discrete and continuous time Markov processes as building blocks into probabilistic graphical models with latent and observed variables. We introduce the automatic Backward Filtering Forward Guiding (BFFG) paradigm (Mider et al., 2021) for programmable inference on latent states and model parameters. Our starting point is a generative model, a forward description of the probabilistic process dynamics. We backpropagate the information provided by observations through the model to transform the generative (forward) model into a pre-conditional model guided by the data. It approximates the actual conditional model with known likelihood-ratio between the two. The backward filter and the forward change of measure are suitable to be incorporated into a probabilistic programming context because they can be formulated as a set of transformation rules. The guided generative model can be incorporated in different approaches to efficiently sample latent states and parameters conditional on observations. We show applicability in a variety of settings, including Markov chains with discrete state space, interacting particle systems, state space models, branching diffusions and Gamma processes.

World models simulate future states of the world in response to different actions. They facilitate interactive content creation and provides a foundation for grounded, long-horizon reasoning. Current foundation models do not fully meet the capabilities of general world models: large language models (LLMs) are constrained by their reliance on language modality and their limited understanding of the physical world, while video models lack interactive action control over the world simulations. This paper makes a step towards building a general world model by introducing Pandora, a hybrid autoregressive-diffusion model that simulates world states by generating videos and allows real-time control with free-text actions. Pandora achieves domain generality, video consistency, and controllability through large-scale pretraining and instruction tuning. Crucially, Pandora bypasses the cost of training-from-scratch by integrating a pretrained LLM (7B) and a pretrained video model, requiring only additional lightweight finetuning. We illustrate extensive outputs by Pandora across diverse domains (indoor/outdoor, natural/urban, human/robot, 2D/3D, etc.). The results indicate great potential of building stronger general world models with larger-scale training.

Reward models trained on human preference data have been proven to be effective for aligning Large Language Models (LLMs) with human intent within the reinforcement learning from human feedback (RLHF) framework. However, the generalization capabilities of current reward models to unseen prompts and responses are limited. This limitation can lead to an unexpected phenomenon known as reward over-optimization, where excessive optimization of rewards results in a decline in actual performance. While previous research has advocated for constraining policy optimization, our study proposes a novel approach to enhance the reward model's generalization ability against distribution shifts by regularizing the hidden states. Specifically, we retain the base model's language model head and incorporate a suite of text-generation losses to preserve the hidden states' text generation capabilities, while concurrently learning a reward head behind the same hidden states. Our experimental results demonstrate that the introduced regularization technique markedly improves the accuracy of learned reward models across a variety of out-of-distribution (OOD) tasks and effectively alleviate the over-optimization issue in RLHF, offering a more reliable and robust preference learning paradigm.

Explainable recommendation systems are important to enhance transparency, accuracy, and fairness. Beyond result-level explanations, model-level interpretations can provide valuable insights that allow developers to optimize system designs and implement targeted improvements. However, most current approaches depend on specialized model designs, which often lack generalization capabilities. Given the various kinds of recommendation models, existing methods have limited ability to effectively interpret them. To address this issue, we propose RecSAE, an automatic, generalizable probing method for interpreting the internal states of Recommendation models with Sparse AutoEncoder. RecSAE serves as a plug-in module that does not affect original models during interpretations, while also enabling predictable modifications to their behaviors based on interpretation results. Firstly, we train an autoencoder with sparsity constraints to reconstruct internal activations of recommendation models, making the RecSAE latents more interpretable and monosemantic than the original neuron activations. Secondly, we automated the construction of concept dictionaries based on the relationship between latent activations and input item sequences. Thirdly, RecSAE validates these interpretations by predicting latent activations on new item sequences using the concept dictionary and deriving interpretation confidence scores from precision and recall. We demonstrate RecSAE's effectiveness on two datasets, identifying hundreds of highly interpretable concepts from pure ID-based models. Latent ablation studies further confirm that manipulating latent concepts produces corresponding changes in model output behavior, underscoring RecSAE's utility for both understanding and targeted tuning recommendation models. Code and data are publicly available at https://github.com/Alice1998/RecSAE.

Structured belief states are crucial for user goal tracking and database query in task-oriented dialog systems. However, training belief trackers often requires expensive turn-level annotations of every user utterance. In this paper we aim at alleviating the reliance on belief state labels in building end-to-end dialog systems, by leveraging unlabeled dialog data towards semi-supervised learning. We propose a probabilistic dialog model, called the LAtent BElief State (LABES) model, where belief states are represented as discrete latent variables and jointly modeled with system responses given user inputs. Such latent variable modeling enables us to develop semi-supervised learning under the principled variational learning framework. Furthermore, we introduce LABES-S2S, which is a copy-augmented Seq2Seq model instantiation of LABES. In supervised experiments, LABES-S2S obtains strong results on three benchmark datasets of different scales. In utilizing unlabeled dialog data, semi-supervised LABES-S2S significantly outperforms both supervised-only and semi-supervised baselines. Remarkably, we can reduce the annotation demands to 50% without performance loss on MultiWOZ.

Price responsiveness is a major feature of end use customers (EUCs) that participate in demand response (DR) programs, and has been conventionally modeled with static demand functions, which take the electricity price as the input and the aggregate energy consumption as the output. This, however, neglects the inherent temporal correlation of the EUC behaviors, and may result in large errors when predicting the actual responses of EUCs in real-time pricing (RTP) programs. In this paper, we propose a dynamical DR model so as to capture the temporal behavior of the EUCs. The states in the proposed dynamical DR model can be explicitly chosen, in which case the model can be represented by a linear function or a multi-layer feedforward neural network, or implicitly chosen, in which case the model can be represented by a recurrent neural network or a long short-term memory unit network. In both cases, the dynamical DR model can be learned from historical price and energy consumption data. Numerical simulation illustrated how the states are chosen and also showed the proposed dynamical DR model significantly outperforms the static ones.

Pre-trained Programming Language Models (PPLMs) achieved many recent states of the art results for many code-related software engineering tasks. Though some studies use data flow or propose tree-based models that utilize Abstract Syntax Tree (AST), most PPLMs do not fully utilize the rich syntactical information in source code. Still, the input is considered a sequence of tokens. There are two issues; the first is computational inefficiency due to the quadratic relationship between input length and attention complexity. Second, any syntactical information, when needed as an extra input to the current PPLMs, requires the model to be pre-trained from scratch, wasting all the computational resources already used for pre-training the current models. In this work, we propose Named Entity Recognition (NER) adapters, lightweight modules that can be inserted into Transformer blocks to learn type information extracted from the AST. These adapters can be used with current PPLMs such as CodeBERT, GraphCodeBERT, and CodeT5. We train the NER adapters using a novel Token Type Classification objective function (TTC). We insert our proposed work in CodeBERT, building CodeBERTER, and evaluate the performance on two tasks of code refinement and code summarization. CodeBERTER improves the accuracy of code refinement from 16.4 to 17.8 while using 20% of training parameter budget compared to the fully fine-tuning approach, and the BLEU score of code summarization from 14.75 to 15.90 while reducing 77% of training parameters compared to the fully fine-tuning approach.

How to efficiently serve Large Language Models (LLMs) has become a pressing issue because of their huge computational cost in their autoregressive generation process. To mitigate computational costs, LLMs often employ the KV Cache technique to improve the generation speed. While improving the computational efficiency, the storage requirements of the KV cache are substantial, particularly in long-context scenarios, leading to significant memory consumption. Existing KV cache eviction methods often degrade the performance of LLMs in long-context scenarios due to the information loss introduced by eviction. In this paper, we propose a novel KV cache merging approach, called KVMerger, to achieve adaptive KV cache compression for long-context tasks without significant performance degradation under constrained memory budgets. Our approach is inspired by the intriguing observation that key states exhibit high similarity at the token level within a single sequence. To facilitate merging, we develop an effective yet straightforward merging set identification algorithm to identify suitable KV states for merging. Our merging set identification algorithm stimulates the second observation that KV cache sparsity, from similarity perspective, is independent of the dataset and remains persistent at the model level. Subsequently, we propose a Gaussian kernel weighted merging algorithm to selectively merge all states within each merging set. We conduct extensive experiments to demonstrate the effectiveness of KVMerger for long-context tasks under constrained memory budgets, applying it to models including Llama2-7B-chat and Llama2-13B-chat. Using the LongBench and ZeroScroll benchmarks, we compare our method with other KV cache compression techniques, including H2O and CaM, showing that our method achieves superior performance across tasks with both 50% and 35% KV cache budgets.

This paper presents a novel Chunking-Free In-Context (CFIC) retrieval approach, specifically tailored for Retrieval-Augmented Generation (RAG) systems. Traditional RAG systems often struggle with grounding responses using precise evidence text due to the challenges of processing lengthy documents and filtering out irrelevant content. Commonly employed solutions, such as document chunking and adapting language models to handle longer contexts, have their limitations. These methods either disrupt the semantic coherence of the text or fail to effectively address the issues of noise and inaccuracy in evidence retrieval. CFIC addresses these challenges by circumventing the conventional chunking process. It utilizes the encoded hidden states of documents for in-context retrieval, employing auto-aggressive decoding to accurately identify the specific evidence text required for user queries, eliminating the need for chunking. CFIC is further enhanced by incorporating two decoding strategies, namely Constrained Sentence Prefix Decoding and Skip Decoding. These strategies not only improve the efficiency of the retrieval process but also ensure that the fidelity of the generated grounding text evidence is maintained. Our evaluations of CFIC on a range of open QA datasets demonstrate its superiority in retrieving relevant and accurate evidence, offering a significant improvement over traditional methods. By doing away with the need for document chunking, CFIC presents a more streamlined, effective, and efficient retrieval solution, making it a valuable advancement in the field of RAG systems.

Distilling large latent diffusion models (LDMs) into ones that are fast to sample from is attracting growing research interest. However, the majority of existing methods face a dilemma where they either (i) depend on multiple individual distilled models for different sampling budgets, or (ii) sacrifice generation quality with limited (e.g., 2-4) and/or moderate (e.g., 5-8) sampling steps. To address these, we extend the recent multistep consistency distillation (MCD) strategy to representative LDMs, establishing the Multistep Latent Consistency Models (MLCMs) approach for low-cost high-quality image synthesis. MLCM serves as a unified model for various sampling steps due to the promise of MCD. We further augment MCD with a progressive training strategy to strengthen inter-segment consistency to boost the quality of few-step generations. We take the states from the sampling trajectories of the teacher model as training data for MLCMs to lift the requirements for high-quality training datasets and to bridge the gap between the training and inference of the distilled model. MLCM is compatible with preference learning strategies for further improvement of visual quality and aesthetic appeal. Empirically, MLCM can generate high-quality, delightful images with only 2-8 sampling steps. On the MSCOCO-2017 5K benchmark, MLCM distilled from SDXL gets a CLIP Score of 33.30, Aesthetic Score of 6.19, and Image Reward of 1.20 with only 4 steps, substantially surpassing 4-step LCM [23], 8-step SDXL-Lightning [17], and 8-step HyperSD [33]. We also demonstrate the versatility of MLCMs in applications including controllable generation, image style transfer, and Chinese-to-image generation.

For a vision-language model (VLM) to understand the physical world, such as cause and effect, a first step is to capture the temporal dynamics of the visual world, for example how the physical states of objects evolve over time (e.g. a whole apple into a sliced apple). Our paper aims to investigate if VLMs pre-trained on web-scale data learn to encode object states, which can be extracted with zero-shot text prompts. We curate an object state recognition dataset ChangeIt-Frames, and evaluate nine open-source VLMs, including models trained with contrastive and generative objectives. We observe that while these state-of-the-art vision-language models can reliably perform object recognition, they consistently fail to accurately distinguish the objects' physical states. Through extensive experiments, we identify three areas for improvements for VLMs to better encode object states, namely the quality of object localization, the architecture to bind concepts to objects, and the objective to learn discriminative visual and language encoders on object states. Data and code are released.

Understanding how Transformer-based Language Models (LMs) learn and recall information is a key goal of the deep learning community. Recent interpretability methods project weights and hidden states obtained from the forward pass to the models' vocabularies, helping to uncover how information flows within LMs. In this work, we extend this methodology to LMs' backward pass and gradients. We first prove that a gradient matrix can be cast as a low-rank linear combination of its forward and backward passes' inputs. We then develop methods to project these gradients into vocabulary items and explore the mechanics of how new information is stored in the LMs' neurons.

Mixture-of-Experts (MoE) has emerged as a promising sparse paradigm for scaling up pre-trained models (PTMs) with remarkable cost-effectiveness. However, the dynamic nature of MoE leads to rapid fluctuations and imbalances in expert loads during training, resulting in significant straggler effects that hinder training performance when using expert parallelism (EP). Existing MoE training systems attempt to mitigate these effects through expert rearrangement strategies, but they face challenges in terms of memory efficiency and timeliness of rearrangement. This paper proposes Fully Sharded Sparse Data Parallelism (FSSDP), an innovative approach that tackles the parallelization of MoE layers and potential straggler effects caused by imbalanced expert loads from a new perspective. FSSDP fully shards the parameters and optimizer states of MoE layers across devices and sparsely materializes MoE parameters from scratch in each iteration with two sparse collectives SparseAllGather and SparseReduceScatter. We build Hecate, a high-performance MoE training system that incorporates FSSDP to fully unlock its potential. Hecate introduces heterogeneous sharding, sparse materialization, and re-materialization techniques to construct flexible and efficient expert placements with low memory and communication overhead. Our evaluation reveals that Hecate achieves up to 3.54x speedup compared over state-of-the-art MoE training systems and consistently demonstrates improvements across model architectures and hardware environments.

The Internet of Things (IoT) triggers new types of cyber risks. Therefore, the integration of new IoT devices and services requires a self-assessment of IoT cyber security posture. By security posture this article refers to the cybersecurity strength of an organisation to predict, prevent and respond to cyberthreats. At present, there is a gap in the state of the art, because there are no self-assessment methods for quantifying IoT cyber risk posture. To address this gap, an empirical analysis is performed of 12 cyber risk assessment approaches. The results and the main findings from the analysis is presented as the current and a target risk state for IoT systems, followed by conclusions and recommendations on a transformation roadmap, describing how IoT systems can achieve the target state with a new goal-oriented dependency model. By target state, we refer to the cyber security target that matches the generic security requirements of an organisation. The research paper studies and adapts four alternatives for IoT risk assessment and identifies the goal-oriented dependency modelling as a dominant approach among the risk assessment models studied. The new goal-oriented dependency model in this article enables the assessment of uncontrollable risk states in complex IoT systems and can be used for a quantitative self-assessment of IoT cyber risk posture.

Diffusion priors have been used for blind face restoration (BFR) by fine-tuning diffusion models (DMs) on restoration datasets to recover low-quality images. However, the naive application of DMs presents several key limitations. (i) The diffusion prior has inferior semantic consistency (e.g., ID, structure and color.), increasing the difficulty of optimizing the BFR model; (ii) reliance on hundreds of denoising iterations, preventing the effective cooperation with perceptual losses, which is crucial for faithful restoration. Observing that the latent consistency model (LCM) learns consistency noise-to-data mappings on the ODE-trajectory and therefore shows more semantic consistency in the subject identity, structural information and color preservation, we propose InterLCM to leverage the LCM for its superior semantic consistency and efficiency to counter the above issues. Treating low-quality images as the intermediate state of LCM, InterLCM achieves a balance between fidelity and quality by starting from earlier LCM steps. LCM also allows the integration of perceptual loss during training, leading to improved restoration quality, particularly in real-world scenarios. To mitigate structural and semantic uncertainties, InterLCM incorporates a Visual Module to extract visual features and a Spatial Encoder to capture spatial details, enhancing the fidelity of restored images. Extensive experiments demonstrate that InterLCM outperforms existing approaches in both synthetic and real-world datasets while also achieving faster inference speed.

Applying diffusion models in reinforcement learning for long-term planning has gained much attention recently. Several diffusion-based methods have successfully leveraged the modeling capabilities of diffusion for arbitrary distributions. These methods generate subsequent trajectories for planning and have demonstrated significant improvement. However, these methods are limited by their plain base distributions and their overlooking of the diversity of samples, in which different states have different returns. They simply leverage diffusion to learn the distribution of offline dataset, generate the trajectories whose states share the same distribution with the offline dataset. As a result, the probability of these models reaching the high-return states is largely dependent on the dataset distribution. Even equipped with the guidance model, the performance is still suppressed. To address these limitations, in this paper, we propose a novel method called CDiffuser, which devises a return contrast mechanism to pull the states in generated trajectories towards high-return states while pushing them away from low-return states to improve the base distribution. Experiments on 14 commonly used D4RL benchmarks demonstrate the effectiveness of our proposed method.

This paper introduces the Quantum Generative Diffusion Model (QGDM), a fully quantum-mechanical model for generating quantum state ensembles, inspired by Denoising Diffusion Probabilistic Models. QGDM features a diffusion process that introduces timestep-dependent noise into quantum states, paired with a denoising mechanism trained to reverse this contamination. This model efficiently evolves a completely mixed state into a target quantum state post-training. Our comparative analysis with Quantum Generative Adversarial Networks demonstrates QGDM's superiority, with fidelity metrics exceeding 0.99 in numerical simulations involving up to 4 qubits. Additionally, we present a Resource-Efficient version of QGDM (RE-QGDM), which minimizes the need for auxiliary qubits while maintaining impressive generative capabilities for tasks involving up to 8 qubits. These results showcase the proposed models' potential for tackling challenging quantum generation problems.

We report an optical method of generating arbitrary polarization states by manipulating the thicknesses of a pair of uniaxial birefringent plates, the optical axes of which are set at a crossing angle of {\pi}/4. The method has the remarkable feature of being able to generate a distribution of arbitrary polarization states in a group of highly discrete spectra without spatially separating the individual spectral components. The target polarization-state distribution is obtained as an optimal solution through an exploration. Within a realistic exploration range, a sufficient number of near-optimal solutions are found. This property is also reproduced well by a concise model based on a distribution of exploration points on a Poincar\'e sphere, showing that the number of near-optimal solutions behaves according to a power law with respect to the number of spectral components of concern. As a typical example of an application, by applying this method to a set of phase-locked highly discrete spectra, we numerically demonstrate the continuous generation of a vector-like optical electric field waveform, the helicity of which is alternated within a single optical cycle in the time domain.

Existing dialog system models require extensive human annotations and are difficult to generalize to different tasks. The recent success of large pre-trained language models such as BERT and GPT-2 (Devlin et al., 2019; Radford et al., 2019) have suggested the effectiveness of incorporating language priors in down-stream NLP tasks. However, how much pre-trained language models can help dialog response generation is still under exploration. In this paper, we propose a simple, general, and effective framework: Alternating Roles Dialog Model (ARDM). ARDM models each speaker separately and takes advantage of the large pre-trained language model. It requires no supervision from human annotations such as belief states or dialog acts to achieve effective conversations. ARDM outperforms or is on par with state-of-the-art methods on two popular task-oriented dialog datasets: CamRest676 and MultiWOZ. Moreover, we can generalize ARDM to more challenging, non-collaborative tasks such as persuasion. In persuasion tasks, ARDM is capable of generating human-like responses to persuade people to donate to a charity.

Large Language Models (LLMs) have exhibited impressive capabilities in various tasks, yet their vast parameter sizes restrict their applicability in resource-constrained settings. Knowledge distillation (KD) offers a viable solution by transferring expertise from large teacher models to compact student models. However, traditional KD techniques face specific challenges when applied to LLMs, including restricted access to LLM outputs, significant teacher-student capacity gaps, and the inherited mis-calibration issue. In this work, we present PLaD, a novel preference-based LLM distillation framework. PLaD exploits the teacher-student capacity discrepancy to generate pseudo-preference pairs where teacher outputs are preferred over student outputs. Then, PLaD leverages a ranking loss to re-calibrate student's estimation of sequence likelihood, which steers the student's focus towards understanding the relative quality of outputs instead of simply imitating the teacher. PLaD bypasses the need for access to teacher LLM's internal states, tackles the student's expressivity limitations, and mitigates the student mis-calibration issue. Through extensive experiments on two sequence generation tasks and with various LLMs, we demonstrate the effectiveness of our proposed PLaD framework.

Large Language Models (LLMs) present immense potential in the medical field, yet concerns over data privacy, regulatory compliance, and model stability restrict their widespread adoption. Although the distillation of high-performing closed-source LLMs has proven effective for general tasks, their application in healthcare is limited due to reduced domain knowledge and remnants of alignment behavior hindering clinical tasks. To address these challenges, we propose Dialogue-Based Knowledge Encoding (DBKE). DBKE enhances models' implicit knowledge base and primes them for conversational recall, augmenting their conversational capabilities and enabling a soft alignment for subsequent use cases. By transforming dense academic source text into synthetic dialogue, DBKE broadens the model's knowledge base and enables a soft alignment that guides downstream behaviours. We present Clinical Camel, an open-source, healthcare-focused conversational model, to showcase the effectiveness of DBKE. Clinical Camel outperforms GPT-3.5 on the United States Medical Licensing Examination (USMLE) Step 1 and Step 3 with scores of 53.2 % and 58.2 %, respectively, compared to GPT-3.5's scores of 36.1 % and 55.7 %. Clinical Camel adeptly handles multi-stage clinical case problems, provides adaptive counseling, and generates clinical notes. However, it is prone to hallucinations, which pose a significant obstacle in safety-critical settings. The performance of Clinical Camel underscores the importance of continued research and development of open-source models for the safe and effective integration of LLMs in healthcare settings.

Detecting hallucinations in large language models (LLMs) is critical for enhancing their reliability and trustworthiness. Most research focuses on hallucinations as deviations from information seen during training. However, the opaque nature of an LLM's parametric knowledge complicates the understanding of why generated texts appear ungrounded: The LLM might not have picked up the necessary knowledge from large and often inaccessible datasets, or the information might have been changed or contradicted during further training. Our focus is on hallucinations involving information not used in training, which we determine by using recency to ensure the information emerged after a cut-off date. This study investigates these hallucinations by detecting them at sentence level using different internal states of various LLMs. We present HalluRAG, a dataset designed to train classifiers on these hallucinations. Depending on the model and quantization, MLPs trained on HalluRAG detect hallucinations with test accuracies ranging up to 75 %, with Mistral-7B-Instruct-v0.1 achieving the highest test accuracies. Our results show that IAVs detect hallucinations as effectively as CEVs and reveal that answerable and unanswerable prompts are encoded differently as separate classifiers for these categories improved accuracy. However, HalluRAG showed some limited generalizability, advocating for more diversity in datasets on hallucinations.

When predicting the next token in a sequence, vanilla transformers compute attention over all previous tokens, resulting in quadratic scaling of compute with sequence length. State-space models compress the entire sequence of tokens into a fixed-dimensional representation to improve efficiency, while other architectures achieve sub-quadratic complexity via low-rank projections or sparse attention patterns over the sequence. In this paper, we introduce Attamba, a novel architecture that uses state-space models to compress chunks of tokens and applies attention on these compressed key-value representations. We find that replacing key and value projections in a transformer with SSMs can improve model quality and enable flexible token chunking, resulting in 24% improved perplexity with transformer of similar KV-Cache and attention footprint, and ~4 times smaller KV-Cache and Attention FLOPs for 5% perplexity trade-off. Attamba can perform attention on chunked-sequences of variable length, enabling a smooth transition between quadratic and linear scaling, offering adaptable efficiency gains.

Large language models (LLMs) have recently shown remarkable performance across a wide range of tasks. However, the substantial number of parameters in LLMs contributes to significant latency during model inference. This is particularly evident when utilizing autoregressive decoding methods, which generate one token in a single forward process, thereby not fully capitalizing on the parallel computing capabilities of GPUs. In this paper, we propose a novel parallel decoding approach, namely hidden transfer, which decodes multiple successive tokens simultaneously in a single forward pass. The idea is to transfer the intermediate hidden states of the previous context to the pseudo hidden states of the future tokens to be generated, and then the pseudo hidden states will pass the following transformer layers thereby assimilating more semantic information and achieving superior predictive accuracy of the future tokens. Besides, we use the novel tree attention mechanism to simultaneously generate and verify multiple candidates of output sequences, which ensure the lossless generation and further improves the generation efficiency of our method. Experiments demonstrate the effectiveness of our method. We conduct a lot of analytic experiments to prove our motivation. In terms of acceleration metrics, we outperform all the single-model acceleration techniques, including Medusa and Self-Speculative decoding.

Optimizer states are a major source of memory consumption for training neural networks, limiting the maximum trainable model within given memory budget. Compressing the optimizer states from 32-bit floating points to lower bitwidth is promising to reduce the training memory footprint, while the current lowest achievable bitwidth is 8-bit. In this work, we push optimizer states bitwidth down to 4-bit through a detailed empirical analysis of first and second moments. Specifically, we find that moments have complicated outlier patterns, that current block-wise quantization cannot accurately approximate. We use a smaller block size and propose to utilize both row-wise and column-wise information for better quantization. We further identify a zero point problem of quantizing the second moment, and solve this problem with a linear quantizer that excludes the zero point. Our 4-bit optimizers are evaluated on a wide variety of benchmarks including natural language understanding, machine translation, image classification, and instruction tuning. On all the tasks our optimizers can achieve comparable accuracy with their full-precision counterparts, while enjoying better memory efficiency.

We introduce the framework of model space into quantum imaginary time evolution (QITE) to enable stable estimation of ground and excited states using a quantum computer. Model-space QITE (MSQITE) propagates a model space to the exact one by retaining its orthogonality, and hence is able to describe multiple states simultaneously. The quantum Lanczos (QLanczos) algorithm is extended to MSQITE to accelerate the convergence. The present scheme is found to outperform both the standard QLanczos and the recently proposed folded-spectrum QITE in simulating excited states. Moreover, we demonstrate that spin contamination can be effectively removed by shifting the imaginary time propagator, and thus excited states with a particular spin quantum number are efficiently captured without falling into the different spin states that have lower energies. We also investigate how different levels of the unitary approximation employed in MSQITE can affect the results. The effectiveness of the algorithm over QITE is demonstrated by noise simulations for the H4 model system.

This study introduces PV-RNN, a novel variational RNN inspired by the predictive-coding ideas. The model learns to extract the probabilistic structures hidden in fluctuating temporal patterns by dynamically changing the stochasticity of its latent states. Its architecture attempts to address two major concerns of variational Bayes RNNs: how can latent variables learn meaningful representations and how can the inference model transfer future observations to the latent variables. PV-RNN does both by introducing adaptive vectors mirroring the training data, whose values can then be adapted differently during evaluation. Moreover, prediction errors during backpropagation, rather than external inputs during the forward computation, are used to convey information to the network about the external data. For testing, we introduce error regression for predicting unseen sequences as inspired by predictive coding that leverages those mechanisms. The model introduces a weighting parameter, the meta-prior, to balance the optimization pressure placed on two terms of a lower bound on the marginal likelihood of the sequential data. We test the model on two datasets with probabilistic structures and show that with high values of the meta-prior the network develops deterministic chaos through which the data's randomness is imitated. For low values, the model behaves as a random process. The network performs best on intermediate values, and is able to capture the latent probabilistic structure with good generalization. Analyzing the meta-prior's impact on the network allows to precisely study the theoretical value and practical benefits of incorporating stochastic dynamics in our model. We demonstrate better prediction performance on a robot imitation task with our model using error regression compared to a standard variational Bayes model lacking such a procedure.

We introduce Diffusion World Model (DWM), a conditional diffusion model capable of predicting multistep future states and rewards concurrently. As opposed to traditional one-step dynamics models, DWM offers long-horizon predictions in a single forward pass, eliminating the need for recursive quires. We integrate DWM into model-based value estimation, where the short-term return is simulated by future trajectories sampled from DWM. In the context of offline reinforcement learning, DWM can be viewed as a conservative value regularization through generative modeling. Alternatively, it can be seen as a data source that enables offline Q-learning with synthetic data. Our experiments on the D4RL dataset confirm the robustness of DWM to long-horizon simulation. In terms of absolute performance, DWM significantly surpasses one-step dynamics models with a 44% performance gain, and achieves state-of-the-art performance.

Robust locomotion control depends on accurate state estimations. However, the sensors of most legged robots can only provide partial and noisy observations, making the estimation particularly challenging, especially for external states like terrain frictions and elevation maps. Inspired by the classical Internal Model Control principle, we consider these external states as disturbances and introduce Hybrid Internal Model (HIM) to estimate them according to the response of the robot. The response, which we refer to as the hybrid internal embedding, contains the robot's explicit velocity and implicit stability representation, corresponding to two primary goals for locomotion tasks: explicitly tracking velocity and implicitly maintaining stability. We use contrastive learning to optimize the embedding to be close to the robot's successor state, in which the response is naturally embedded. HIM has several appealing benefits: It only needs the robot's proprioceptions, i.e., those from joint encoders and IMU as observations. It innovatively maintains consistent observations between simulation reference and reality that avoids information loss in mimicking learning. It exploits batch-level information that is more robust to noises and keeps better sample efficiency. It only requires 1 hour of training on an RTX 4090 to enable a quadruped robot to traverse any terrain under any disturbances. A wealth of real-world experiments demonstrates its agility, even in high-difficulty tasks and cases never occurred during the training process, revealing remarkable open-world generalizability.

Transformers and large language models~(LLMs) have seen rapid adoption in all domains. Their sizes have exploded to hundreds of billions of parameters and keep increasing. Under these circumstances, the training of transformers is very expensive and often hits a ``memory wall'', i.e., even when using 3D parallelism (pipeline, tensor, data) and aggregating the memory of many GPUs, it is still not enough to hold the necessary data structures (model parameters, optimizer state, gradients, activations) in GPU memory. To compensate, state-of-the-art approaches offload the optimizer state, at least partially, to the host memory and perform hybrid CPU-GPU computations. However, the management of the combined host-GPU memory is often suboptimal and results in poor overlapping between data movements and computations. This leads to missed opportunities to simultaneously leverage the interconnect bandwidth and computational capabilities of CPUs and GPUs. In this paper, we leverage a key observation that the interleaving of the forward, backward and update phases generate fluctuations in the GPU memory utilization, which can be exploited to dynamically move a part of the optimizer state between the host and the GPU memory at each iteration. To this end, we design and implement \proj, a novel technique to split the LLM into subgroups, whose update phase is scheduled on either the CPU or the GPU based on our proposed performance model that addresses the trade-off between data movement cost, acceleration on the GPUs vs the CPUs, and competition for shared resources. We integrate our approach with DeepSpeed and demonstrate 2.5times faster iterations over state-of-the-art approaches using extensive experiments.

Enhancing the reasoning capabilities of large language models (LLMs) remains a key challenge, especially for tasks that require complex, multi-step decision-making. Humans excel at these tasks by leveraging deliberate planning with an internal world model to simulate the potential outcomes of various actions. Inspired by this, we propose a novel multi-step reasoning framework for LLMs, referred to as Structure-aware Planning with Accurate World Model (SWAP). Unlike previous approaches that rely solely on Chain-of-Thought (CoT) reasoning in natural language, SWAP incorporates structural information to guide the reasoning process via a world model and provides a soft verification mechanism over the steps. Moreover, SWAP overcomes the challenge of accurate world state predictions in complex reasoning tasks by introducing a Generator-Discriminator architecture, which enables more reliable world modeling. Specifically, the generator predicts the next state, and the discriminator ensures alignment with the logical consistency required by the problem context. SWAP also encourages the policy model to explore a broad range of potential actions to prevent premature convergence. By resolving the bottlenecks of generation diversity for both actions and states using diversity-based modeling (DBM) and improving discrimination accuracy through contrastive ranking (CR), SWAP significantly enhances the reasoning performance of LLMs. We evaluate SWAP across diverse reasoning-intensive benchmarks including math reasoning, logical reasoning, and coding tasks. Extensive experiments demonstrate that SWAP achieves substantial improvements over the baselines and consistently outperforms existing LLMs of similar sizes.

Low-rank adaptation (LoRA) has become the default approach to fine-tune large language models (LLMs) due to its significant reduction in trainable parameters. However, trainable parameter demand for LoRA increases with increasing model embedding dimensions, leading to high compute costs. Additionally, its backward updates require storing high-dimensional intermediate activations and optimizer states, demanding high peak GPU memory. In this paper, we introduce large model fine-tuning via spectrally decomposed low-dimensional adaptation (LaMDA), a novel approach to fine-tuning large language models, which leverages low-dimensional adaptation to achieve significant reductions in trainable parameters and peak GPU memory footprint. LaMDA freezes a first projection matrix (PMA) in the adaptation path while introducing a low-dimensional trainable square matrix, resulting in substantial reductions in trainable parameters and peak GPU memory usage. LaMDA gradually freezes a second projection matrix (PMB) during the early fine-tuning stages, reducing the compute cost associated with weight updates to enhance parameter efficiency further. We also present an enhancement, LaMDA++, incorporating a ``lite-weight" adaptive rank allocation for the LoRA path via normalized spectrum analysis of pre-trained model weights. We evaluate LaMDA/LaMDA++ across various tasks, including natural language understanding with the GLUE benchmark, text summarization, natural language generation, and complex reasoning on different LLMs. Results show that LaMDA matches or surpasses the performance of existing alternatives while requiring up to 17.7x fewer parameter updates and up to 1.32x lower peak GPU memory usage during fine-tuning. Code will be publicly available.

Large language models (LLMs) rely on safety alignment to avoid responding to malicious user inputs. Unfortunately, jailbreak can circumvent safety guardrails, resulting in LLMs generating harmful content and raising concerns about LLM safety. Due to language models with intensive parameters often regarded as black boxes, the mechanisms of alignment and jailbreak are challenging to elucidate. In this paper, we employ weak classifiers to explain LLM safety through the intermediate hidden states. We first confirm that LLMs learn ethical concepts during pre-training rather than alignment and can identify malicious and normal inputs in the early layers. Alignment actually associates the early concepts with emotion guesses in the middle layers and then refines them to the specific reject tokens for safe generations. Jailbreak disturbs the transformation of early unethical classification into negative emotions. We conduct experiments on models from 7B to 70B across various model families to prove our conclusion. Overall, our paper indicates the intrinsical mechanism of LLM safety and how jailbreaks circumvent safety guardrails, offering a new perspective on LLM safety and reducing concerns. Our code is available at https://github.com/ydyjya/LLM-IHS-Explanation.

Offline reinforcement learning aims to train agents from pre-collected datasets. However, this comes with the added challenge of estimating the value of behaviors not covered in the dataset. Model-based methods offer a potential solution by training an approximate dynamics model, which then allows collection of additional synthetic data via rollouts in this model. The prevailing theory treats this approach as online RL in an approximate dynamics model, and any remaining performance gap is therefore understood as being due to dynamics model errors. In this paper, we analyze this assumption and investigate how popular algorithms perform as the learned dynamics model is improved. In contrast to both intuition and theory, if the learned dynamics model is replaced by the true error-free dynamics, existing model-based methods completely fail. This reveals a key oversight: The theoretical foundations assume sampling of full horizon rollouts in the learned dynamics model; however, in practice, the number of model-rollout steps is aggressively reduced to prevent accumulating errors. We show that this truncation of rollouts results in a set of edge-of-reach states at which we are effectively ``bootstrapping from the void.'' This triggers pathological value overestimation and complete performance collapse. We term this the edge-of-reach problem. Based on this new insight, we fill important gaps in existing theory, and reveal how prior model-based methods are primarily addressing the edge-of-reach problem, rather than model-inaccuracy as claimed. Finally, we propose Reach-Aware Value Learning (RAVL), a simple and robust method that directly addresses the edge-of-reach problem and hence - unlike existing methods - does not fail as the dynamics model is improved. Code open-sourced at: github.com/anyasims/edge-of-reach.

Large language models (LLMs) have opened up new possibilities for intelligent agents, endowing them with human-like thinking and cognitive abilities. In this work, we delve into the potential of large language models (LLMs) in autonomous driving (AD). We introduce DriveMLM, an LLM-based AD framework that can perform close-loop autonomous driving in realistic simulators. To this end, (1) we bridge the gap between the language decisions and the vehicle control commands by standardizing the decision states according to the off-the-shelf motion planning module. (2) We employ a multi-modal LLM (MLLM) to model the behavior planning module of a module AD system, which uses driving rules, user commands, and inputs from various sensors (e.g., camera, lidar) as input and makes driving decisions and provide explanations; This model can plug-and-play in existing AD systems such as Apollo for close-loop driving. (3) We design an effective data engine to collect a dataset that includes decision state and corresponding explanation annotation for model training and evaluation. We conduct extensive experiments and show that our model achieves 76.1 driving score on the CARLA Town05 Long, and surpasses the Apollo baseline by 4.7 points under the same settings, demonstrating the effectiveness of our model. We hope this work can serve as a baseline for autonomous driving with LLMs. Code and models shall be released at https://github.com/OpenGVLab/DriveMLM.

Annotating task-oriented dialogues is notorious for the expensive and difficult data collection process. Few-shot dialogue state tracking (DST) is a realistic solution to this problem. In this paper, we hypothesize that dialogue summaries are essentially unstructured dialogue states; hence, we propose to reformulate dialogue state tracking as a dialogue summarization problem. To elaborate, we train a text-to-text language model with synthetic template-based dialogue summaries, generated by a set of rules from the dialogue states. Then, the dialogue states can be recovered by inversely applying the summary generation rules. We empirically show that our method DS2 outperforms previous works on few-shot DST in MultiWoZ 2.0 and 2.1, in both cross-domain and multi-domain settings. Our method also exhibits vast speedup during both training and inference as it can generate all states at once. Finally, based on our analysis, we discover that the naturalness of the summary templates plays a key role for successful training.

Symmetries such as gauge invariance and anyonic symmetry play a crucial role in quantum many-body physics. We develop a general approach to constructing gauge invariant or anyonic symmetric autoregressive neural network quantum states, including a wide range of architectures such as Transformer and recurrent neural network (RNN), for quantum lattice models. These networks can be efficiently sampled and explicitly obey gauge symmetries or anyonic constraint. We prove that our methods can provide exact representation for the ground and excited states of the 2D and 3D toric codes, and the X-cube fracton model. We variationally optimize our symmetry incorporated autoregressive neural networks for ground states as well as real-time dynamics for a variety of models. We simulate the dynamics and the ground states of the quantum link model of U(1) lattice gauge theory, obtain the phase diagram for the 2D Z_2 gauge theory, determine the phase transition and the central charge of the SU(2)_3 anyonic chain, and also compute the ground state energy of the SU(2) invariant Heisenberg spin chain. Our approach provides powerful tools for exploring condensed matter physics, high energy physics and quantum information science.

Exposing meaningful and interpretable neural interactions is critical to understanding neural circuits. Inferred neural interactions from neural signals primarily reflect functional interactions. In a long experiment, subject animals may experience different stages defined by the experiment, stimuli, or behavioral states, and hence functional interactions can change over time. To model dynamically changing functional interactions, prior work employs state-switching generalized linear models with hidden Markov models (i.e., HMM-GLMs). However, we argue they lack biological plausibility, as functional interactions are shaped and confined by the underlying anatomical connectome. Here, we propose a novel prior-informed state-switching GLM. We introduce both a Gaussian prior and a one-hot prior over the GLM in each state. The priors are learnable. We will show that the learned prior should capture the state-constant interaction, shedding light on the underlying anatomical connectome and revealing more likely physical neuron interactions. The state-dependent interaction modeled by each GLM offers traceability to capture functional variations across multiple brain states. Our methods effectively recover true interaction structures in simulated data, achieve the highest predictive likelihood with real neural datasets, and render interaction structures and hidden states more interpretable when applied to real neural data.

Language models have become a critical technology to tackling a wide range of natural language processing tasks, yet many details about how the best-performing language models were developed are not reported. In particular, information about their pretraining corpora is seldom discussed: commercial language models rarely provide any information about their data; even open models rarely release datasets they are trained on, or an exact recipe to reproduce them. As a result, it is challenging to conduct certain threads of language modeling research, such as understanding how training data impacts model capabilities and shapes their limitations. To facilitate open research on language model pretraining, we release Dolma, a three trillion tokens English corpus, built from a diverse mixture of web content, scientific papers, code, public-domain books, social media, and encyclopedic materials. In addition, we open source our data curation toolkit to enable further experimentation and reproduction of our work. In this report, we document Dolma, including its design principles, details about its construction, and a summary of its contents. We interleave this report with analyses and experimental results from training language models on intermediate states of Dolma to share what we have learned about important data curation practices, including the role of content or quality filters, deduplication, and multi-source mixing. Dolma has been used to train OLMo, a state-of-the-art, open language model and framework designed to build and study the science of language modeling.

Recent work has proposed the linear representation hypothesis: that language models perform computation by manipulating one-dimensional representations of concepts ("features") in activation space. In contrast, we explore whether some language model representations may be inherently multi-dimensional. We begin by developing a rigorous definition of irreducible multi-dimensional features based on whether they can be decomposed into either independent or non-co-occurring lower-dimensional features. Motivated by these definitions, we design a scalable method that uses sparse autoencoders to automatically find multi-dimensional features in GPT-2 and Mistral 7B. These auto-discovered features include strikingly interpretable examples, e.g. circular features representing days of the week and months of the year. We identify tasks where these exact circles are used to solve computational problems involving modular arithmetic in days of the week and months of the year. Finally, we provide evidence that these circular features are indeed the fundamental unit of computation in these tasks with intervention experiments on Mistral 7B and Llama 3 8B, and we find further circular representations by breaking down the hidden states for these tasks into interpretable components.

Self-attention performs well in long context but has quadratic complexity. Existing RNN layers have linear complexity, but their performance in long context is limited by the expressive power of their hidden state. We propose a new class of sequence modeling layers with linear complexity and an expressive hidden state. The key idea is to make the hidden state a machine learning model itself, and the update rule a step of self-supervised learning. Since the hidden state is updated by training even on test sequences, our layers are called Test-Time Training (TTT) layers. We consider two instantiations: TTT-Linear and TTT-MLP, whose hidden state is a linear model and a two-layer MLP respectively. We evaluate our instantiations at the scale of 125M to 1.3B parameters, comparing with a strong Transformer and Mamba, a modern RNN. Both TTT-Linear and TTT-MLP match or exceed the baselines. Similar to Transformer, they can keep reducing perplexity by conditioning on more tokens, while Mamba cannot after 16k context. With preliminary systems optimization, TTT-Linear is already faster than Transformer at 8k context and matches Mamba in wall-clock time. TTT-MLP still faces challenges in memory I/O, but shows larger potential in long context, pointing to a promising direction for future research.

FP8 training has emerged as a promising method for improving training efficiency. Existing frameworks accelerate training by applying FP8 computation to linear layers while leaving optimizer states and activations in higher precision, which fails to fully optimize memory usage. This paper introduces COAT (Compressing Optimizer States and Activations for FP8 Training), a novel FP8 training framework designed to significantly reduce memory footprint when training large models. COAT addresses current limitations through two key innovations: (1) Dynamic Range Expansion, which aligns optimizer state distributions more closely with the FP8 representation range, thereby reducing quantization error, and (2) Mixed-Granularity Activation Quantization, which optimizes activation memory using a combination of per-tensor and per-group quantization strategies. Experiments demonstrate that COAT effectively reduces end-to-end training memory footprint by 1.54x compared to BF16 while achieving nearly lossless performance across various tasks, such as Large Language Model pretraining and fine-tuning and Vision Language Model training. COAT also achieves a 1.43x end-to-end training speedup compared to BF16, performing on par with or surpassing TransformerEngine's speedup. COAT enables efficient full-parameter training of large models on fewer GPUs, and facilitates doubling the batch size in distributed training settings, providing a practical solution for scaling large-scale model training. The code is available at https://github.com/NVlabs/COAT.

Traditional reinforcement learning-based robotic control methods are often task-specific and fail to generalize across diverse environments or unseen objects and instructions. Visual Language Models (VLMs) demonstrate strong scene understanding and planning capabilities but lack the ability to generate actionable policies tailored to specific robotic embodiments. To address this, Visual-Language-Action (VLA) models have emerged, yet they face challenges in long-horizon spatial reasoning and grounded task planning. In this work, we propose the Embodied Multimodal Action Model with Grounded Chain of Thought and Look-ahead Spatial Reasoning, Emma-X. Emma-X leverages our constructed hierarchical embodiment dataset based on BridgeV2, containing 60,000 robot manipulation trajectories auto-annotated with grounded task reasoning and spatial guidance. Additionally, we introduce a trajectory segmentation strategy based on gripper states and motion trajectories, which can help mitigate hallucination in grounding subtask reasoning generation. Experimental results demonstrate that Emma-X achieves superior performance over competitive baselines, particularly in real-world robotic tasks requiring spatial reasoning.

Large language models (LLMs) have shown remarkable reasoning capabilities, especially when prompted to generate intermediate reasoning steps (e.g., Chain-of-Thought, CoT). However, LLMs can still struggle with problems that are easy for humans, such as generating action plans for executing tasks in a given environment, or performing complex math, logical, and commonsense reasoning. The deficiency stems from the key fact that LLMs lack an internal world model to predict the world state (e.g., environment status, intermediate variable values) and simulate long-term outcomes of actions. This prevents LLMs from performing deliberate planning akin to human brains, which involves exploring alternative reasoning paths, anticipating future states and rewards, and iteratively refining existing reasoning steps. To overcome the limitations, we propose a new LLM reasoning framework, Reasoning via Planning (RAP). RAP repurposes the LLM as both a world model and a reasoning agent, and incorporates a principled planning algorithm (based on Monto Carlo Tree Search) for strategic exploration in the vast reasoning space. During reasoning, the LLM (as agent) incrementally builds a reasoning tree under the guidance of the LLM (as world model) and task-specific rewards, and obtains a high-reward reasoning path efficiently with a proper balance between exploration vs. exploitation. We apply RAP to a variety of challenging reasoning problems including plan generation, math reasoning, and logical inference. Empirical results on these tasks demonstrate the superiority of RAP over various strong baselines, including CoT and least-to-most prompting with self-consistency. RAP on LLAMA-33B surpasses CoT on GPT-4 with 33% relative improvement in a plan generation setting.

Reinforcement learning (RL) is rapidly reaching and surpassing human-level control capabilities. However, state-of-the-art RL algorithms often require timesteps and reaction times significantly faster than human capabilities, which is impractical in real-world settings and typically necessitates specialized hardware. Such speeds are difficult to achieve in the real world and often requires specialized hardware. We introduce Sequence Reinforcement Learning (SRL), an RL algorithm designed to produce a sequence of actions for a given input state, enabling effective control at lower decision frequencies. SRL addresses the challenges of learning action sequences by employing both a model and an actor-critic architecture operating at different temporal scales. We propose a "temporal recall" mechanism, where the critic uses the model to estimate intermediate states between primitive actions, providing a learning signal for each individual action within the sequence. Once training is complete, the actor can generate action sequences independently of the model, achieving model-free control at a slower frequency. We evaluate SRL on a suite of continuous control tasks, demonstrating that it achieves performance comparable to state-of-the-art algorithms while significantly reducing actor sample complexity. To better assess performance across varying decision frequencies, we introduce the Frequency-Averaged Score (FAS) metric. Our results show that SRL significantly outperforms traditional RL algorithms in terms of FAS, making it particularly suitable for applications requiring variable decision frequencies. Additionally, we compare SRL with model-based online planning, showing that SRL achieves superior FAS while leveraging the same model during training that online planners use for planning.

3D semantic segmentation on multi-scan large-scale point clouds plays an important role in autonomous systems. Unlike the single-scan-based semantic segmentation task, this task requires distinguishing the motion states of points in addition to their semantic categories. However, methods designed for single-scan-based segmentation tasks perform poorly on the multi-scan task due to the lacking of an effective way to integrate temporal information. We propose MarS3D, a plug-and-play motion-aware module for semantic segmentation on multi-scan 3D point clouds. This module can be flexibly combined with single-scan models to allow them to have multi-scan perception abilities. The model encompasses two key designs: the Cross-Frame Feature Embedding module for enriching representation learning and the Motion-Aware Feature Learning module for enhancing motion awareness. Extensive experiments show that MarS3D can improve the performance of the baseline model by a large margin. The code is available at https://github.com/CVMI-Lab/MarS3D.

Natural language processing (NLP) is becoming an important means for automatic recognition of human traits and states, such as intoxication, presence of psychiatric disorders, presence of airway disorders and states of stress. Such applications have the potential to be an important pillar for online help lines, and may gradually be introduced into eHealth modules. However, NLP is language specific and for languages such as Dutch, NLP models are scarce. As a result, recent Dutch NLP models have a low capture of long range semantic dependencies over sentences. To overcome this, here we present belabBERT, a new Dutch language model extending the RoBERTa architecture. belabBERT is trained on a large Dutch corpus (+32 GB) of web crawled texts. We applied belabBERT to the classification of psychiatric illnesses. First, we evaluated the strength of text-based classification using belabBERT, and compared the results to the existing RobBERT model. Then, we compared the performance of belabBERT to audio classification for psychiatric disorders. Finally, a brief exploration was performed, extending the framework to a hybrid text- and audio-based classification. Our results show that belabBERT outperformed the current best text classification network for Dutch, RobBERT. belabBERT also outperformed classification based on audio alone.

We consider the task of word-level language modeling and study the possibility of combining hidden-states-based short-term representations with medium-term representations encoded in dynamical weights of a language model. Our work extends recent experiments on language models with dynamically evolving weights by casting the language modeling problem into an online learning-to-learn framework in which a meta-learner is trained by gradient-descent to continuously update a language model weights.

Pretraining large language models is a complex endeavor influenced by multiple factors, including model architecture, data quality, training continuity, and hardware constraints. In this paper, we share insights gained from the experience of training DMaS-LLaMa-Lite, a fully open source, 1.7-billion-parameter, LLaMa-based model, on approximately 20 billion tokens of carefully curated data. We chronicle the full training trajectory, documenting how evolving validation loss levels and downstream benchmarks reflect transitions from incoherent text to fluent, contextually grounded output. Beyond standard quantitative metrics, we highlight practical considerations such as the importance of restoring optimizer states when resuming from checkpoints, and the impact of hardware changes on training stability and throughput. While qualitative evaluation provides an intuitive understanding of model improvements, our analysis extends to various performance benchmarks, demonstrating how high-quality data and thoughtful scaling enable competitive results with significantly fewer training tokens. By detailing these experiences and offering training logs, checkpoints, and sample outputs, we aim to guide future researchers and practitioners in refining their pretraining strategies. The training script is available on Github at https://github.com/McGill-DMaS/DMaS-LLaMa-Lite-Training-Code. The model checkpoints are available on Huggingface at https://huggingface.co/collections/McGill-DMaS/dmas-llama-lite-6761d97ba903f82341954ceb.

Inference serving for large language models (LLMs) is the key to unleashing their potential in people's daily lives. However, efficient LLM serving remains challenging today because the requests are inherently heterogeneous and unpredictable in terms of resource and latency requirements, as a result of the diverse applications and the dynamic execution nature of LLMs. Existing systems are fundamentally limited in handling these characteristics and cause problems such as severe queuing delays, poor tail latencies, and SLO violations. We introduce Llumnix, an LLM serving system that reacts to such heterogeneous and unpredictable requests by runtime rescheduling across multiple model instances. Similar to context switching across CPU cores in modern operating systems, Llumnix reschedules requests to improve load balancing and isolation, mitigate resource fragmentation, and differentiate request priorities and SLOs. Llumnix implements the rescheduling with an efficient and scalable live migration mechanism for requests and their in-memory states, and exploits it in a dynamic scheduling policy that unifies the multiple rescheduling scenarios elegantly. Our evaluations show that Llumnix improves tail latencies by an order of magnitude, accelerates high-priority requests by up to 1.5x, and delivers up to 36% cost savings while achieving similar tail latencies, compared against state-of-the-art LLM serving systems. Llumnix is publicly available at https://github.com/AlibabaPAI/llumnix.

Practical large language model (LLM) services may involve a long system prompt, which specifies the instructions, examples, and knowledge documents of the task and is reused across numerous requests. However, the long system prompt causes throughput/latency bottlenecks as the cost of generating the next token grows w.r.t. the sequence length. This paper aims to improve the efficiency of LLM services that involve long system prompts. Our key observation is that handling these system prompts requires heavily redundant memory accesses in existing causal attention computation algorithms. Specifically, for batched requests, the cached hidden states (i.e., key-value pairs) of system prompts are transferred from off-chip DRAM to on-chip SRAM multiple times, each corresponding to an individual request. To eliminate such a redundancy, we propose RelayAttention, an attention algorithm that allows reading these hidden states from DRAM exactly once for a batch of input tokens. RelayAttention is a free lunch: it maintains the generation quality while requiring no model retraining, as it is based on a mathematical reformulation of causal attention.

This work pioneers evaluating emergent planning capabilities based on situational awareness in large language models. We contribute (i) novel benchmarks and metrics for standardized assessment; (ii) a unique dataset to spur progress; and (iii) demonstrations that prompting and multi-agent schemes significantly enhance planning performance in context-sensitive planning tasks. Positioning this within a situated agent and automated planning research, we highlight inherent reliability challenges--efficiently mapping world states to actions without environmental guidance remains open despite simulated domain advances. Although out-of-scope, limitations around validation methodology and data availability indicate exciting directions, including fine-tuning on expanded planning corpora and optimizations for triggering fast latent planning. By conclusively demonstrating current methods' promise and limitations via rigorous comparison, we catalyze investigating reliable goal-directed reasoning for situated agents.

Earth system models suffer from various structural and parametric errors in their representation of nonlinear, multi-scale processes, leading to uncertainties in their long-term projections. The effects of many of these errors (particularly those due to fast physics) can be quantified in short-term simulations, e.g., as differences between the predicted and observed states (analysis increments). With the increase in the availability of high-quality observations and simulations, learning nudging from these increments to correct model errors has become an active research area. However, most studies focus on using neural networks, which while powerful, are hard to interpret, are data-hungry, and poorly generalize out-of-distribution. Here, we show the capabilities of Model Error Discovery with Interpretability and Data Assimilation (MEDIDA), a general, data-efficient framework that uses sparsity-promoting equation-discovery techniques to learn model errors from analysis increments. Using two-layer quasi-geostrophic turbulence as the test case, MEDIDA is shown to successfully discover various linear and nonlinear structural/parametric errors when full observations are available. Discovery from spatially sparse observations is found to require highly accurate interpolation schemes. While NNs have shown success as interpolators in recent studies, here, they are found inadequate due to their inability to accurately represent small scales, a phenomenon known as spectral bias. We show that a general remedy, adding a random Fourier feature layer to the NN, resolves this issue enabling MEDIDA to successfully discover model errors from sparse observations. These promising results suggest that with further development, MEDIDA could be scaled up to models of the Earth system and real observations.

We introduce infty-Diff, a generative diffusion model which directly operates on infinite resolution data. By randomly sampling subsets of coordinates during training and learning to denoise the content at those coordinates, a continuous function is learned that allows sampling at arbitrary resolutions. In contrast to other recent infinite resolution generative models, our approach operates directly on the raw data, not requiring latent vector compression for context, using hypernetworks, nor relying on discrete components. As such, our approach achieves significantly higher sample quality, as evidenced by lower FID scores, as well as being able to effectively scale to higher resolutions than the training data while retaining detail.

Density of the reachable states can help understand the risk of safety-critical systems, especially in situations when worst-case reachability is too conservative. Recent work provides a data-driven approach to compute the density distribution of autonomous systems' forward reachable states online. In this paper, we study the use of such approach in combination with model predictive control for verifiable safe path planning under uncertainties. We first use the learned density distribution to compute the risk of collision online. If such risk exceeds the acceptable threshold, our method will plan for a new path around the previous trajectory, with the risk of collision below the threshold. Our method is well-suited to handle systems with uncertainties and complicated dynamics as our data-driven approach does not need an analytical form of the systems' dynamics and can estimate forward state density with an arbitrary initial distribution of uncertainties. We design two challenging scenarios (autonomous driving and hovercraft control) for safe motion planning in environments with obstacles under system uncertainties. We first show that our density estimation approach can reach a similar accuracy as the Monte-Carlo-based method while using only 0.01X training samples. By leveraging the estimated risk, our algorithm achieves the highest success rate in goal reaching when enforcing the safety rate above 0.99.

With few exceptions, neural networks have been relying on backpropagation and gradient descent as the inference engine in order to learn the model parameters, because the closed-form Bayesian inference for neural networks has been considered to be intractable. In this paper, we show how we can leverage the tractable approximate Gaussian inference's (TAGI) capabilities to infer hidden states, rather than only using it for inferring the network's parameters. One novel aspect it allows is to infer hidden states through the imposition of constraints designed to achieve specific objectives, as illustrated through three examples: (1) the generation of adversarial-attack examples, (2) the usage of a neural network as a black-box optimization method, and (3) the application of inference on continuous-action reinforcement learning. These applications showcase how tasks that were previously reserved to gradient-based optimization approaches can now be approached with analytically tractable inference

Diffusion models have emerged as a promising alternative to autoregressive models in modeling discrete categorical data. Yet diffusion models that directly work on discrete data space do not fully exploit the power of iterative refinement, as the signals are lost during the transition between discrete states. Existing continuous diffusion models for discrete data have limited performance compared to discrete approaches, and the unclear link between them restricts the development of diffusion models for discrete data. In this work, we propose a continuous diffusion model for language modeling that incorporates the geometry of the underlying categorical distribution. We establish a connection between the discrete diffusion and continuous flow on the statistical manifold, and building on the analogy, we introduce a simple design for the diffusion process that generalizes previous discrete diffusion models. We further propose a simulation-free training framework based on radial symmetry and a simple technique to address the high dimensionality of the manifold. Comprehensive experiments on language modeling benchmarks and other modalities show that our method outperforms existing discrete diffusion models and approaches the performance of autoregressive models. Codes available at https://github.com/harryjo97/RDLM{https://github.com/harryjo97/RDLM}.

Recent successes in autoregressive (AR) generation models, such as the GPT series in natural language processing, have motivated efforts to replicate this success in visual tasks. Some works attempt to extend this approach to autonomous driving by building video-based world models capable of generating realistic future video sequences and predicting ego states. However, prior works tend to produce unsatisfactory results, as the classic GPT framework is designed to handle 1D contextual information, such as text, and lacks the inherent ability to model the spatial and temporal dynamics essential for video generation. In this paper, we present DrivingWorld, a GPT-style world model for autonomous driving, featuring several spatial-temporal fusion mechanisms. This design enables effective modeling of both spatial and temporal dynamics, facilitating high-fidelity, long-duration video generation. Specifically, we propose a next-state prediction strategy to model temporal coherence between consecutive frames and apply a next-token prediction strategy to capture spatial information within each frame. To further enhance generalization ability, we propose a novel masking strategy and reweighting strategy for token prediction to mitigate long-term drifting issues and enable precise control. Our work demonstrates the ability to produce high-fidelity and consistent video clips of over 40 seconds in duration, which is over 2 times longer than state-of-the-art driving world models. Experiments show that, in contrast to prior works, our method achieves superior visual quality and significantly more accurate controllable future video generation. Our code is available at https://github.com/YvanYin/DrivingWorld.

For robots to robustly understand and interact with the physical world, it is highly beneficial to have a comprehensive representation - modelling geometry, physics, and visual observations - that informs perception, planning, and control algorithms. We propose a novel dual Gaussian-Particle representation that models the physical world while (i) enabling predictive simulation of future states and (ii) allowing online correction from visual observations in a dynamic world. Our representation comprises particles that capture the geometrical aspect of objects in the world and can be used alongside a particle-based physics system to anticipate physically plausible future states. Attached to these particles are 3D Gaussians that render images from any viewpoint through a splatting process thus capturing the visual state. By comparing the predicted and observed images, our approach generates visual forces that correct the particle positions while respecting known physical constraints. By integrating predictive physical modelling with continuous visually-derived corrections, our unified representation reasons about the present and future while synchronizing with reality. Our system runs in realtime at 30Hz using only 3 cameras. We validate our approach on 2D and 3D tracking tasks as well as photometric reconstruction quality. Videos are found at https://embodied-gaussians.github.io/.

Hierarchical Imitation Learning (HIL) is a promising approach for tackling long-horizon decision-making tasks. While it is a challenging task due to the lack of detailed supervisory labels for sub-goal learning, and reliance on hundreds to thousands of expert demonstrations. In this work, we introduce SEAL, a novel framework that leverages Large Language Models (LLMs)'s powerful semantic and world knowledge for both specifying sub-goal space and pre-labeling states to semantically meaningful sub-goal representations without prior knowledge of task hierarchies. SEAL employs a dual-encoder structure, combining supervised LLM-guided sub-goal learning with unsupervised Vector Quantization (VQ) for more robust sub-goal representations. Additionally, SEAL incorporates a transition-augmented low-level planner for improved adaptation to sub-goal transitions. Our experiments demonstrate that SEAL outperforms state-of-the-art HIL methods and LLM-based planning approaches, particularly in settings with small expert datasets and complex long-horizon tasks.

Data-driven deep learning models are transforming global weather forecasting. It is an open question if this success can extend to climate modeling, where the complexity of the data and long inference rollouts pose significant challenges. Here, we present the first conditional generative model that produces accurate and physically consistent global climate ensemble simulations by emulating a coarse version of the United States' primary operational global forecast model, FV3GFS. Our model integrates the dynamics-informed diffusion framework (DYffusion) with the Spherical Fourier Neural Operator (SFNO) architecture, enabling stable 100-year simulations at 6-hourly timesteps while maintaining low computational overhead compared to single-step deterministic baselines. The model achieves near gold-standard performance for climate model emulation, outperforming existing approaches and demonstrating promising ensemble skill. This work represents a significant advance towards efficient, data-driven climate simulations that can enhance our understanding of the climate system and inform adaptation strategies.

Transformer models have demonstrated high accuracy in numerous applications but have high complexity and lack sequential processing capability making them ill-suited for many streaming applications at the edge where devices are heavily resource-constrained. Thus motivated, many researchers have proposed reformulating the transformer models as RNN modules which modify the self-attention computation with explicit states. However, these approaches often incur significant performance degradation. The ultimate goal is to develop a model that has the following properties: parallel training, streaming and low-cost inference, and SOTA performance. In this paper, we propose a new direction to achieve this goal. We show how architectural modifications to a recurrent model can help push its performance toward Transformer models while retaining its sequential processing capability. Specifically, inspired by the recent success of Legendre Memory Units (LMU) in sequence learning tasks, we propose LMUFormer, which augments the LMU with convolutional patch embedding and convolutional channel mixer. Moreover, we present a spiking version of this architecture, which introduces the benefit of states within the patch embedding and channel mixer modules while simultaneously reducing the computing complexity. We evaluated our architectures on multiple sequence datasets. In comparison to SOTA transformer-based models within the ANN domain on the SCv2 dataset, our LMUFormer demonstrates comparable performance while necessitating a remarkable 53 times reduction in parameters and a substantial 65 times decrement in FLOPs. Additionally, owing to our model's proficiency in real-time data processing, we can achieve a 32.03% reduction in sequence length, all while incurring an inconsequential decline in performance. Our code is publicly available at https://github.com/zeyuliu1037/LMUFormer.git.

Biological cortical neurons are remarkably sophisticated computational devices, temporally integrating their vast synaptic input over an intricate dendritic tree, subject to complex, nonlinearly interacting internal biological processes. A recent study proposed to characterize this complexity by fitting accurate surrogate models to replicate the input-output relationship of a detailed biophysical cortical pyramidal neuron model and discovered it needed temporal convolutional networks (TCN) with millions of parameters. Requiring these many parameters, however, could stem from a misalignment between the inductive biases of the TCN and cortical neuron's computations. In light of this, and to explore the computational implications of leaky memory units and nonlinear dendritic processing, we introduce the Expressive Leaky Memory (ELM) neuron model, a biologically inspired phenomenological model of a cortical neuron. Remarkably, by exploiting such slowly decaying memory-like hidden states and two-layered nonlinear integration of synaptic input, our ELM neuron can accurately match the aforementioned input-output relationship with under ten thousand trainable parameters. To further assess the computational ramifications of our neuron design, we evaluate it on various tasks with demanding temporal structures, including the Long Range Arena (LRA) datasets, as well as a novel neuromorphic dataset based on the Spiking Heidelberg Digits dataset (SHD-Adding). Leveraging a larger number of memory units with sufficiently long timescales, and correspondingly sophisticated synaptic integration, the ELM neuron displays substantial long-range processing capabilities, reliably outperforming the classic Transformer or Chrono-LSTM architectures on LRA, and even solving the Pathfinder-X task with over 70% accuracy (16k context length).

We present developments and applications for the diagonalization of shell-model hamiltonians in a discrete non-orthogonal basis (DNO-SM). The method, and its actual numerical implementation CARINA, based on mean-field and beyond-mean field techniques has already been applied in previous studies and is focused on basis states selection optimization. The method is benchmarked against a full set of sd shell exact diagonalizations, and is applied for the first time to the heavy deformed ^{254}No nucleus.

State-Space Models (SSMs) have recently emerged as a powerful and efficient alternative to the long-standing transformer architecture. However, existing SSM conceptualizations retain deeply rooted biases from their roots in natural language processing. This constrains their ability to appropriately model the spatially-dependent characteristics of visual inputs. In this paper, we address these limitations by re-deriving modern selective state-space techniques, starting from a natively multidimensional formulation. Currently, prior works attempt to apply natively 1D SSMs to 2D data (i.e. images) by relying on arbitrary combinations of 1D scan directions to capture spatial dependencies. In contrast, Mamba2D improves upon this with a single 2D scan direction that factors in both dimensions of the input natively, effectively modelling spatial dependencies when constructing hidden states. Mamba2D shows comparable performance to prior adaptations of SSMs for vision tasks, on standard image classification evaluations with the ImageNet-1K dataset. Source code is available at https://github.com/cocoalex00/Mamba2D.

Recent advances in large language models have brought immense value to the world, with their superior capabilities stemming from the massive number of parameters they utilize. However, even the GPUs with the highest memory capacities, currently peaking at 80GB, are far from sufficient to accommodate these vast parameters and their associated optimizer states when conducting stochastic gradient descent-based optimization. One approach to hosting such huge models is to aggregate device memory from many GPUs. However, this approach introduces prohibitive costs for most academic researchers, who always have a limited budget for many high-end GPU servers. In this paper, we focus on huge model fine-tuning on a single, even low-end, GPU in a commodity server, which is accessible to most AI researchers. In such a scenario, the state-of-the-art work ZeRO-Infinity suffers from two severe issues when running in a commodity server: 1) low GPU utilization due to inefficient swapping, and 2) limited trainable model size due to CPU memory capacity. The underlying reason is that ZeRO-Infinity is optimized for running on high-end GPU servers. To this end, we present Fuyou, a low-cost training framework that enables efficient 100B huge model fine-tuning on a low-end server with a low-end GPU and limited CPU memory capacity. The key idea is to add the SSD-CPU communication as an optimization dimension and thus carefully co-optimize computation and data swapping from a systematic approach to maximize GPU utilization. The experimental results show that 1) Fuyou is able to fine-tune 175B GPT-3 on a consumer GPU RTX 4090 with high GPU utilization, while ZeRO-Infinity fails to fine-tune; and 2) when training a small GPT-3 13B model, Fuyou achieves 156 TFLOPS on an RTX 4090 GPU while ZeRO-Infinity only achieves 45 TFLOPS.

To utilize visual information, Multimodal Large Language Model (MLLM) relies on the perception process of its vision encoder. The completeness and accuracy of visual perception significantly influence the precision of spatial reasoning, fine-grained understanding, and other tasks. However, MLLM still lacks the autonomous capability to control its own visual perception processes, for example, selectively reviewing specific regions of an image or focusing on information related to specific object categories. In this work, we propose the concept of Visual Perception Token, aiming to empower MLLM with a mechanism to control its visual perception processes. We design two types of Visual Perception Tokens, termed the Region Selection Token and the Vision Re-Encoding Token. MLLMs autonomously generate these tokens, just as they generate text, and use them to trigger additional visual perception actions. The Region Selection Token explicitly identifies specific regions in an image that require further perception, while the Vision Re-Encoding Token uses its hidden states as control signals to guide additional visual perception processes. Extensive experiments demonstrate the advantages of these tokens in handling spatial reasoning, improving fine-grained understanding, and other tasks. On average, the introduction of Visual Perception Tokens improves the performance of a 2B model by 23.6\%, increasing its score from 0.572 to 0.708, and even outperforms a 7B parameter model by 13.4\% (from 0.624). Please check out our repo https://github.com/yu-rp/VisualPerceptionToken

Extensive system scales (i.e. thousands of GPU/TPUs) and prolonged training periods (i.e. months of pretraining) significantly escalate the probability of failures when training large language models (LLMs). Thus, efficient and reliable fault-tolerance methods are in urgent need. Checkpointing is the primary fault-tolerance method to periodically save parameter snapshots from GPU memory to disks via CPU memory. In this paper, we identify the frequency of existing checkpoint-based fault-tolerance being significantly limited by the storage I/O overheads, which results in hefty re-training costs on restarting from the nearest checkpoint. In response to this gap, we introduce an in-memory fault-tolerance framework for large-scale LLM pretraining. The framework boosts the efficiency and reliability of fault tolerance from three aspects: (1) Reduced Data Transfer and I/O: By asynchronously caching parameters, i.e., sharded model parameters, optimizer states, and RNG states, to CPU volatile memory, Our framework significantly reduces communication costs and bypasses checkpoint I/O. (2) Enhanced System Reliability: Our framework enhances parameter protection with a two-layer hierarchy: snapshot management processes (SMPs) safeguard against software failures, together with Erasure Coding (EC) protecting against node failures. This double-layered protection greatly improves the survival probability of the parameters compared to existing checkpointing methods. (3) Improved Snapshotting Frequency: Our framework achieves more frequent snapshotting compared with asynchronous checkpointing optimizations under the same saving time budget, which improves the fault tolerance efficiency. Empirical results demonstrate that Our framework minimizes the overhead of fault tolerance of LLM pretraining by effectively leveraging redundant CPU resources.

The integration of additional modalities increases the susceptibility of large vision-language models (LVLMs) to safety risks, such as jailbreak attacks, compared to their language-only counterparts. While existing research primarily focuses on post-hoc alignment techniques, the underlying safety mechanisms within LVLMs remain largely unexplored. In this work , we investigate whether LVLMs inherently encode safety-relevant signals within their internal activations during inference. Our findings reveal that LVLMs exhibit distinct activation patterns when processing unsafe prompts, which can be leveraged to detect and mitigate adversarial inputs without requiring extensive fine-tuning. Building on this insight, we introduce HiddenDetect, a novel tuning-free framework that harnesses internal model activations to enhance safety. Experimental results show that {HiddenDetect} surpasses state-of-the-art methods in detecting jailbreak attacks against LVLMs. By utilizing intrinsic safety-aware patterns, our method provides an efficient and scalable solution for strengthening LVLM robustness against multimodal threats. Our code will be released publicly at https://github.com/leigest519/HiddenDetect.

Neural surrogates for partial differential equations (PDEs) have become popular due to their potential to quickly simulate physics. With a few exceptions, neural surrogates generally treat the forward evolution of time-dependent PDEs as a black box by directly predicting the next state. While this is a natural and easy framework for applying neural surrogates, it can be an over-simplified and rigid framework for predicting physics. In this work, we propose an alternative framework in which neural solvers predict the temporal derivative and an ODE integrator forwards the solution in time, which has little overhead and is broadly applicable across model architectures and PDEs. We find that by simply changing the training target and introducing numerical integration during inference, neural surrogates can gain accuracy and stability. Predicting temporal derivatives also allows models to not be constrained to a specific temporal discretization, allowing for flexible time-stepping during inference or training on higher-resolution PDE data. Lastly, we investigate why this new framework can be beneficial and in what situations does it work well.

Offline reinforcement learning can enable policy learning from pre-collected, sub-optimal datasets without online interactions. This makes it ideal for real-world robots and safety-critical scenarios, where collecting online data or expert demonstrations is slow, costly, and risky. However, most existing offline RL works assume the dataset is already labeled with the task rewards, a process that often requires significant human effort, especially when ground-truth states are hard to ascertain (e.g., in the real-world). In this paper, we build on prior work, specifically RL-VLM-F, and propose a novel system that automatically generates reward labels for offline datasets using preference feedback from a vision-language model and a text description of the task. Our method then learns a policy using offline RL with the reward-labeled dataset. We demonstrate the system's applicability to a complex real-world robot-assisted dressing task, where we first learn a reward function using a vision-language model on a sub-optimal offline dataset, and then we use the learned reward to employ Implicit Q learning to develop an effective dressing policy. Our method also performs well in simulation tasks involving the manipulation of rigid and deformable objects, and significantly outperform baselines such as behavior cloning and inverse RL. In summary, we propose a new system that enables automatic reward labeling and policy learning from unlabeled, sub-optimal offline datasets.

Can we avoid wars at the crossroads of history? This question has been pursued by individuals, scholars, policymakers, and organizations throughout human history. In this research, we attempt to answer the question based on the recent advances of Artificial Intelligence (AI) and Large Language Models (LLMs). We propose WarAgent, an LLM-powered multi-agent AI system, to simulate the participating countries, their decisions, and the consequences, in historical international conflicts, including the World War I (WWI), the World War II (WWII), and the Warring States Period (WSP) in Ancient China. By evaluating the simulation effectiveness, we examine the advancements and limitations of cutting-edge AI systems' abilities in studying complex collective human behaviors such as international conflicts under diverse settings. In these simulations, the emergent interactions among agents also offer a novel perspective for examining the triggers and conditions that lead to war. Our findings offer data-driven and AI-augmented insights that can redefine how we approach conflict resolution and peacekeeping strategies. The implications stretch beyond historical analysis, offering a blueprint for using AI to understand human history and possibly prevent future international conflicts. Code and data are available at https://github.com/agiresearch/WarAgent.

Large and sparse feed-forward layers (S-FFN) such as Mixture-of-Experts (MoE) have proven effective in scaling up Transformers model size for pretraining large language models. By only activating part of the FFN parameters conditioning on input, S-FFN improves generalization performance while keeping training and inference costs (in FLOPs) fixed. In this work, we analyzed two major design choices of S-FFN: the memory block (a.k.a. expert) size and the memory block selection method under a general conceptual framework of sparse neural memory. Using this unified framework, we compare several S-FFN architectures for language modeling and provide insights into their relative efficacy and efficiency. We found a simpler selection method -- \texttt{Avg-K} that selects blocks through their mean aggregated hidden states, achieving lower perplexity in language model pretraining compared to existing MoE architectures including Switch Transformer (Fedus et al., 2021) and HashLayer (Roller et al., 2021).

We study the incentivized information acquisition problem, where a principal hires an agent to gather information on her behalf. Such a problem is modeled as a Stackelberg game between the principal and the agent, where the principal announces a scoring rule that specifies the payment, and then the agent then chooses an effort level that maximizes her own profit and reports the information. We study the online setting of such a problem from the principal's perspective, i.e., designing the optimal scoring rule by repeatedly interacting with the strategic agent. We design a provably sample efficient algorithm that tailors the UCB algorithm (Auer et al., 2002) to our model, which achieves a sublinear T^{2/3}-regret after T iterations. Our algorithm features a delicate estimation procedure for the optimal profit of the principal, and a conservative correction scheme that ensures the desired agent's actions are incentivized. Furthermore, a key feature of our regret bound is that it is independent of the number of states of the environment.

To plan and optimize energy storage demands that account for Li-ion battery aging dynamics, techniques need to be developed to diagnose battery internal states accurately and rapidly. This study seeks to reduce the computational resources needed to determine a battery's internal states by replacing physics-based Li-ion battery models -- such as the single-particle model (SPM) and the pseudo-2D (P2D) model -- with a physics-informed neural network (PINN) surrogate. The surrogate model makes high-throughput techniques, such as Bayesian calibration, tractable to determine battery internal parameters from voltage responses. This manuscript is the first of a two-part series that introduces PINN surrogates of Li-ion battery models for parameter inference (i.e., state-of-health diagnostics). In this first part, a method is presented for constructing a PINN surrogate of the SPM. A multi-fidelity hierarchical training, where several neural nets are trained with multiple physics-loss fidelities is shown to significantly improve the surrogate accuracy when only training on the governing equation residuals. The implementation is made available in a companion repository (https://github.com/NREL/pinnstripes). The techniques used to develop a PINN surrogate of the SPM are extended in Part II for the PINN surrogate for the P2D battery model, and explore the Bayesian calibration capabilities of both surrogates.

Emotion expression is one of the essential traits of conversations. It may be self-related or caused by another speaker. The variety of reasons may serve as a source of the further emotion causes: conversation history, speaker's emotional state, etc. Inspired by the most recent advances in Chain-of-Thought, in this work, we exploit the existing three-hop reasoning approach (THOR) to perform large language model instruction-tuning for answering: emotion states (THOR-state), and emotion caused by one speaker to the other (THOR-cause). We equip THOR-cause with the reasoning revision (rr) for devising a reasoning path in fine-tuning. In particular, we rely on the annotated speaker emotion states to revise reasoning path. Our final submission, based on Flan-T5-base (250M) and the rule-based span correction technique, preliminary tuned with THOR-state and fine-tuned with THOR-cause-rr on competition training data, results in 3rd and 4th places (F1-proportional) and 5th place (F1-strict) among 15 participating teams. Our THOR implementation fork is publicly available: https://github.com/nicolay-r/THOR-ECAC

The maritime industry's continuous commitment to sustainability has led to a dedicated exploration of methods to reduce vessel fuel consumption. This paper undertakes this challenge through a machine learning approach, leveraging a real-world dataset spanning two years of a ferry in west coast Canada. Our focus centers on the creation of a time series forecasting model given the dynamic and static states, actions, and disturbances. This model is designed to predict dynamic states based on the actions provided, subsequently serving as an evaluative tool to assess the proficiency of the ferry's operation under the captain's guidance. Additionally, it lays the foundation for future optimization algorithms, providing valuable feedback on decision-making processes. To facilitate future studies, our code is available at https://github.com/pagand/model_optimze_vessel/tree/AAAI

The rise of big data has amplified the need for efficient, user-friendly automated machine learning (AutoML) tools. However, the intricacy of understanding domain-specific data and defining prediction tasks necessitates human intervention making the process time-consuming while preventing full automation. Instead, envision an intelligent agent capable of assisting users in conducting AutoML tasks through intuitive, natural conversations without requiring in-depth knowledge of the underlying machine learning (ML) processes. This agent's key challenge is to accurately comprehend the user's prediction goals and, consequently, formulate precise ML tasks, adjust data sets and model parameters accordingly, and articulate results effectively. In this paper, we take a pioneering step towards this ambitious goal by introducing a ChatGPT-based conversational data-science framework to act as a "personal data scientist". Precisely, we utilize Large Language Models (ChatGPT) to build a natural interface between the users and the ML models (Scikit-Learn), which in turn, allows us to approach this ambitious problem with a realistic solution. Our model pivots around four dialogue states: Data Visualization, Task Formulation, Prediction Engineering, and Result Summary and Recommendation. Each state marks a unique conversation phase, impacting the overall user-system interaction. Multiple LLM instances, serving as "micro-agents", ensure a cohesive conversation flow, granting us granular control over the conversation's progression. In summary, we developed an end-to-end system that not only proves the viability of the novel concept of conversational data science but also underscores the potency of LLMs in solving complex tasks. Interestingly, its development spotlighted several critical weaknesses in the current LLMs (ChatGPT) and highlighted substantial opportunities for improvement.

Model-Free Reinforcement Learning (RL) algorithms either learn how to map states to expected rewards or search for policies that can maximize a certain performance function. Model-Based algorithms instead, aim to learn an approximation of the underlying model of the RL environment and then use it in combination with planning algorithms. Upside-Down Reinforcement Learning (UDRL) is a novel learning paradigm that aims to learn how to predict actions from states and desired commands. This task is formulated as a Supervised Learning problem and has successfully been tackled by Neural Networks (NNs). In this paper, we investigate whether function approximation algorithms other than NNs can also be used within a UDRL framework. Our experiments, performed over several popular optimal control benchmarks, show that tree-based methods like Random Forests and Extremely Randomized Trees can perform just as well as NNs with the significant benefit of resulting in policies that are inherently more interpretable than NNs, therefore paving the way for more transparent, safe, and robust RL.

End-to-end autonomous driving aims to build a fully differentiable system that takes raw sensor data as inputs and directly outputs the planned trajectory or control signals of the ego vehicle. State-of-the-art methods usually follow the `Teacher-Student' paradigm. The Teacher model uses privileged information (ground-truth states of surrounding agents and map elements) to learn the driving strategy. The student model only has access to raw sensor data and conducts behavior cloning on the data collected by the teacher model. By eliminating the noise of the perception part during planning learning, state-of-the-art works could achieve better performance with significantly less data compared to those coupled ones. However, under the current Teacher-Student paradigm, the student model still needs to learn a planning head from scratch, which could be challenging due to the redundant and noisy nature of raw sensor inputs and the casual confusion issue of behavior cloning. In this work, we aim to explore the possibility of directly adopting the strong teacher model to conduct planning while letting the student model focus more on the perception part. We find that even equipped with a SOTA perception model, directly letting the student model learn the required inputs of the teacher model leads to poor driving performance, which comes from the large distribution gap between predicted privileged inputs and the ground-truth. To this end, we propose DriveAdapter, which employs adapters with the feature alignment objective function between the student (perception) and teacher (planning) modules. Additionally, since the pure learning-based teacher model itself is imperfect and occasionally breaks safety rules, we propose a method of action-guided feature learning with a mask for those imperfect teacher features to further inject the priors of hand-crafted rules into the learning process.

Soft object manipulation poses significant challenges for robots, requiring effective techniques for state representation and manipulation policy learning. State representation involves capturing the dynamic changes in the environment, while manipulation policy learning focuses on establishing the relationship between robot actions and state transformations to achieve specific goals. To address these challenges, this research paper introduces a novel approach: a dynamic heterogeneous graph-based model for learning goal-oriented soft object manipulation policies. The proposed model utilizes graphs as a unified representation for both states and policy learning. By leveraging the dynamic graph, we can extract crucial information regarding object dynamics and manipulation policies. Furthermore, the model facilitates the integration of demonstrations, enabling guided policy learning. To evaluate the efficacy of our approach, we designed a dough rolling task and conducted experiments using both a differentiable simulator and a real-world humanoid robot. Additionally, several ablation studies were performed to analyze the effect of our method, demonstrating its superiority in achieving human-like behavior.

We propose Embodied Navigation Trajectory Learner (ENTL), a method for extracting long sequence representations for embodied navigation. Our approach unifies world modeling, localization and imitation learning into a single sequence prediction task. We train our model using vector-quantized predictions of future states conditioned on current states and actions. ENTL's generic architecture enables sharing of the spatio-temporal sequence encoder for multiple challenging embodied tasks. We achieve competitive performance on navigation tasks using significantly less data than strong baselines while performing auxiliary tasks such as localization and future frame prediction (a proxy for world modeling). A key property of our approach is that the model is pre-trained without any explicit reward signal, which makes the resulting model generalizable to multiple tasks and environments.

Humans acquire knowledge by observing the external world, but also by introspection. Introspection gives a person privileged access to their current state of mind (e.g., thoughts and feelings) that is not accessible to external observers. Can LLMs introspect? We define introspection as acquiring knowledge that is not contained in or derived from training data but instead originates from internal states. Such a capability could enhance model interpretability. Instead of painstakingly analyzing a model's internal workings, we could simply ask the model about its beliefs, world models, and goals. More speculatively, an introspective model might self-report on whether it possesses certain internal states such as subjective feelings or desires and this could inform us about the moral status of these states. Such self-reports would not be entirely dictated by the model's training data. We study introspection by finetuning LLMs to predict properties of their own behavior in hypothetical scenarios. For example, "Given the input P, would your output favor the short- or long-term option?" If a model M1 can introspect, it should outperform a different model M2 in predicting M1's behavior even if M2 is trained on M1's ground-truth behavior. The idea is that M1 has privileged access to its own behavioral tendencies, and this enables it to predict itself better than M2 (even if M2 is generally stronger). In experiments with GPT-4, GPT-4o, and Llama-3 models (each finetuned to predict itself), we find that the model M1 outperforms M2 in predicting itself, providing evidence for introspection. Notably, M1 continues to predict its behavior accurately even after we intentionally modify its ground-truth behavior. However, while we successfully elicit introspection on simple tasks, we are unsuccessful on more complex tasks or those requiring out-of-distribution generalization.

Premise selection is a crucial yet challenging step in mathematical formalization, especially for users with limited experience. Due to the lack of available formalization projects, existing approaches that leverage language models often suffer from data scarcity. In this work, we introduce an innovative method for training a premise retriever to support the formalization of mathematics. Our approach employs a BERT model to embed proof states and premises into a shared latent space. The retrieval model is trained within a contrastive learning framework and incorporates a domain-specific tokenizer along with a fine-grained similarity computation method. Experimental results show that our model is highly competitive compared to existing baselines, achieving strong performance while requiring fewer computational resources. Performance is further enhanced through the integration of a re-ranking module. To streamline the formalization process, we will release a search engine that enables users to query Mathlib theorems directly using proof states, significantly improving accessibility and efficiency. Codes are available at https://github.com/ruc-ai4math/Premise-Retrieval.

High Power Laser's (HPL) optimal performance is essential for the success of a wide variety of experimental tasks related to light-matter interactions. Traditionally, HPL parameters are optimised in an automated fashion relying on black-box numerical methods. However, these can be demanding in terms of computational resources and usually disregard transient and complex dynamics. Model-free Deep Reinforcement Learning (DRL) offers a promising alternative framework for optimising HPL performance since it allows to tune the control parameters as a function of system states subject to nonlinear temporal dynamics without requiring an explicit dynamics model of those. Furthermore, DRL aims to find an optimal control policy rather than a static parameter configuration, particularly suitable for dynamic processes involving sequential decision-making. This is particularly relevant as laser systems are typically characterised by dynamic rather than static traits. Hence the need for a strategy to choose the control applied based on the current context instead of one single optimal control configuration. This paper investigates the potential of DRL in improving the efficiency and safety of HPL control systems. We apply this technique to optimise the temporal profile of laser pulses in the L1 pump laser hosted at the ELI Beamlines facility. We show how to adapt DRL to the setting of spectral phase control by solely tuning dispersion coefficients of the spectral phase and reaching pulses similar to transform limited with full-width at half-maximum (FWHM) of ca1.6 ps.

Given a stationary state-space model that relates a sequence of hidden states and corresponding measurements or observations, Bayesian filtering provides a principled statistical framework for inferring the posterior distribution of the current state given all measurements up to the present time. For example, the Apollo lunar module implemented a Kalman filter to infer its location from a sequence of earth-based radar measurements and land safely on the moon. To perform Bayesian filtering, we require a measurement model that describes the conditional distribution of each observation given state. The Kalman filter takes this measurement model to be linear, Gaussian. Here we show how a nonlinear, Gaussian approximation to the distribution of state given observation can be used in conjunction with Bayes' rule to build a nonlinear, non-Gaussian measurement model. The resulting approach, called the Discriminative Kalman Filter (DKF), retains fast closed-form updates for the posterior. We argue there are many cases where the distribution of state given measurement is better-approximated as Gaussian, especially when the dimensionality of measurements far exceeds that of states and the Bernstein-von Mises theorem applies. Online neural decoding for brain-computer interfaces provides a motivating example, where filtering incorporates increasingly detailed measurements of neural activity to provide users control over external devices. Within the BrainGate2 clinical trial, the DKF successfully enabled three volunteers with quadriplegia to control an on-screen cursor in real-time using mental imagery alone. Participant "T9" used the DKF to type out messages on a tablet PC.

We introduce a framework that abstracts Reinforcement Learning (RL) as a sequence modeling problem. This allows us to draw upon the simplicity and scalability of the Transformer architecture, and associated advances in language modeling such as GPT-x and BERT. In particular, we present Decision Transformer, an architecture that casts the problem of RL as conditional sequence modeling. Unlike prior approaches to RL that fit value functions or compute policy gradients, Decision Transformer simply outputs the optimal actions by leveraging a causally masked Transformer. By conditioning an autoregressive model on the desired return (reward), past states, and actions, our Decision Transformer model can generate future actions that achieve the desired return. Despite its simplicity, Decision Transformer matches or exceeds the performance of state-of-the-art model-free offline RL baselines on Atari, OpenAI Gym, and Key-to-Door tasks.

Classical self-supervised networks suffer from convergence problems and reduced segmentation accuracy due to forceful termination. Qubits or bi-level quantum bits often describe quantum neural network models. In this article, a novel self-supervised shallow learning network model exploiting the sophisticated three-level qutrit-inspired quantum information system referred to as Quantum Fully Self-Supervised Neural Network (QFS-Net) is presented for automated segmentation of brain MR images. The QFS-Net model comprises a trinity of a layered structure of qutrits inter-connected through parametric Hadamard gates using an 8-connected second-order neighborhood-based topology. The non-linear transformation of the qutrit states allows the underlying quantum neural network model to encode the quantum states, thereby enabling a faster self-organized counter-propagation of these states between the layers without supervision. The suggested QFS-Net model is tailored and extensively validated on Cancer Imaging Archive (TCIA) data set collected from Nature repository and also compared with state of the art supervised (U-Net and URes-Net architectures) and the self-supervised QIS-Net model. Results shed promising segmented outcome in detecting tumors in terms of dice similarity and accuracy with minimum human intervention and computational resources.

RNN-like language models are getting renewed attention from NLP researchers in recent years and several models have made significant progress, which demonstrates performance comparable to traditional transformers. However, due to the recurrent nature of RNNs, this kind of language model can only store information in a set of fixed-length state vectors. As a consequence, they still suffer from forgetfulness though after a lot of improvements and optimizations, when given complex instructions or prompts. As the prompted generation is the main and most concerned function of LMs, solving the problem of forgetting in the process of generation is no wonder of vital importance. In this paper, focusing on easing the prompt forgetting during generation, we proposed an architecture to teach the model memorizing prompt during generation by synthetic gradient. To force the model to memorize the prompt, we derive the states that encode the prompt, then transform it into model parameter modification using low-rank gradient approximation, which hard-codes the prompt into model parameters temporarily. We construct a dataset for experiments, and the results have demonstrated the effectiveness of our method in solving the problem of forgetfulness in the process of prompted generation. We will release all the code upon acceptance.

Low-mass X-ray binaries with a neutron star as the primary object show a complex array of phenomenology during outbursts. The observed variability in X-ray emission primarily arises from changes in the innermost regions of the accretion disk, neutron star surface, and corona. In this work, we present the results of a comprehensive X-ray spectral and timing analysis of the neutron star transient MAXI J1807+132 during its 2023 outburst using data from the NICER observatory. The outburst is marked by a very rapid rise in the count rate by about a factor of 20 in a day. The source undergoes full state transitions and displays hysteresis effect in the hardness and rms intensity diagrams. Spectral analysis with a three-component model is consistent with disk truncation during the hard states and reaching the last stable orbit during the intermediate and soft states. We discuss the different values of the last stable radius in the context of possible distance of the source and magnetic field strength. The characteristic frequencies throughout the hard and intermediate states are found to be strongly correlated with the inner radius of the disk. Together with the spectral and fast variability properties, we attempt to trace the evolution of the size of the corona along the outburst. Following the main outburst, the source undergoes a high amplitude reflare wherein it shows a complex behavior with relatively high variability (10 %), but low hardness.

Intuitive physics is pivotal for human understanding of the physical world, enabling prediction and interpretation of events even in infancy. Nonetheless, replicating this level of intuitive physics in artificial intelligence (AI) remains a formidable challenge. This study introduces X-VoE, a comprehensive benchmark dataset, to assess AI agents' grasp of intuitive physics. Built on the developmental psychology-rooted Violation of Expectation (VoE) paradigm, X-VoE establishes a higher bar for the explanatory capacities of intuitive physics models. Each VoE scenario within X-VoE encompasses three distinct settings, probing models' comprehension of events and their underlying explanations. Beyond model evaluation, we present an explanation-based learning system that captures physics dynamics and infers occluded object states solely from visual sequences, without explicit occlusion labels. Experimental outcomes highlight our model's alignment with human commonsense when tested against X-VoE. A remarkable feature is our model's ability to visually expound VoE events by reconstructing concealed scenes. Concluding, we discuss the findings' implications and outline future research directions. Through X-VoE, we catalyze the advancement of AI endowed with human-like intuitive physics capabilities.

The out-of-distribution (OOD) problem generally arises when neural networks encounter data that significantly deviates from the training data distribution, i.e., in-distribution (InD). In this paper, we study the OOD problem from a neuron activation view. We first formulate neuron activation states by considering both the neuron output and its influence on model decisions. Then, to characterize the relationship between neurons and OOD issues, we introduce the neuron activation coverage (NAC) -- a simple measure for neuron behaviors under InD data. Leveraging our NAC, we show that 1) InD and OOD inputs can be largely separated based on the neuron behavior, which significantly eases the OOD detection problem and beats the 21 previous methods over three benchmarks (CIFAR-10, CIFAR-100, and ImageNet-1K). 2) a positive correlation between NAC and model generalization ability consistently holds across architectures and datasets, which enables a NAC-based criterion for evaluating model robustness. Compared to prevalent InD validation criteria, we show that NAC not only can select more robust models, but also has a stronger correlation with OOD test performance.

The final state interactions (FSI) model in which soft rescattering of low mass intermediate states dominates is suggested. It explains why the strong interaction phases are large in the B_dtopipi channel and are considerably smaller in the B_dtorhorho one. Direct CP asymmetries of B_dtopipi decays which are determined by FSI phases are considered as well.

Diffusion-based voice conversion (VC) techniques such as VoiceGrad have attracted interest because of their high VC performance in terms of speech quality and speaker similarity. However, a notable limitation is the slow inference caused by the multi-step reverse diffusion. Therefore, we propose FastVoiceGrad, a novel one-step diffusion-based VC that reduces the number of iterations from dozens to one while inheriting the high VC performance of the multi-step diffusion-based VC. We obtain the model using adversarial conditional diffusion distillation (ACDD), leveraging the ability of generative adversarial networks and diffusion models while reconsidering the initial states in sampling. Evaluations of one-shot any-to-any VC demonstrate that FastVoiceGrad achieves VC performance superior to or comparable to that of previous multi-step diffusion-based VC while enhancing the inference speed. Audio samples are available at https://www.kecl.ntt.co.jp/people/kaneko.takuhiro/projects/fastvoicegrad/.

Integrating and processing information from various sources or modalities are critical for obtaining a comprehensive and accurate perception of the real world in autonomous systems and cyber-physical systems. Drawing inspiration from neuroscience, we develop the Information-Theoretic Hierarchical Perception (ITHP) model, which utilizes the concept of information bottleneck. Different from most traditional fusion models that incorporate all modalities identically in neural networks, our model designates a prime modality and regards the remaining modalities as detectors in the information pathway, serving to distill the flow of information. Our proposed perception model focuses on constructing an effective and compact information flow by achieving a balance between the minimization of mutual information between the latent state and the input modal state, and the maximization of mutual information between the latent states and the remaining modal states. This approach leads to compact latent state representations that retain relevant information while minimizing redundancy, thereby substantially enhancing the performance of multimodal representation learning. Experimental evaluations on the MUStARD, CMU-MOSI, and CMU-MOSEI datasets demonstrate that our model consistently distills crucial information in multimodal learning scenarios, outperforming state-of-the-art benchmarks. Remarkably, on the CMU-MOSI dataset, ITHP surpasses human-level performance in the multimodal sentiment binary classification task across all evaluation metrics (i.e., Binary Accuracy, F1 Score, Mean Absolute Error, and Pearson Correlation).

Single-atom catalysts (SACs) have emerged as frontiers for catalyzing chemical reactions, yet the diverse combinations of active elements and support materials, the nature of coordination environments, elude traditional methodologies in searching optimal SAC systems with superior catalytic performance. Herein, by integrating multi-branch Convolutional Neural Network (CNN) analysis models to hybrid descriptor based activity volcano plot, 2D SAC system composed of diverse metallic single atoms anchored on six type of 2D supports, including graphitic carbon nitride, nitrogen-doped graphene, graphene with dual-vacancy, black phosphorous, boron nitride, and C2N, are screened for efficient CO2RR. Starting from establishing a correlation map between the adsorption energies of intermediates and diverse electronic and elementary descriptors, sole singular descriptor lost magic to predict catalytic activity. Deep learning method utilizing multi-branch CNN model therefore was employed, using 2D electronic density of states as input to predict adsorption energies. Hybrid-descriptor enveloping both C- and O-types of CO2RR intermediates was introduced to construct volcano plots and limiting potential periodic table, aiming for intuitive screening of catalyst candidates for efficient CO2 reduction to CH4. The eDOS occlusion experiments were performed to unravel individual orbital contribution to adsorption energy. To explore the electronic scale principle governing practical engineering catalytic CO2RR activity, orbitalwise eDOS shifting experiments based on CNN model were employed. The study involves examining the adsorption energy and, consequently, catalytic activities while varying supported single atoms. This work offers a tangible framework to inform both theoretical screening and experimental synthesis, thereby paving the way for systematically designing efficient SACs.

We introduce a new type of deep contextualized word representation that models both (1) complex characteristics of word use (e.g., syntax and semantics), and (2) how these uses vary across linguistic contexts (i.e., to model polysemy). Our word vectors are learned functions of the internal states of a deep bidirectional language model (biLM), which is pre-trained on a large text corpus. We show that these representations can be easily added to existing models and significantly improve the state of the art across six challenging NLP problems, including question answering, textual entailment and sentiment analysis. We also present an analysis showing that exposing the deep internals of the pre-trained network is crucial, allowing downstream models to mix different types of semi-supervision signals.

Cardiac MRI allows for a comprehensive assessment of myocardial structure, function, and tissue characteristics. Here we describe a foundational vision system for cardiac MRI, capable of representing the breadth of human cardiovascular disease and health. Our deep learning model is trained via self-supervised contrastive learning, by which visual concepts in cine-sequence cardiac MRI scans are learned from the raw text of the accompanying radiology reports. We train and evaluate our model on data from four large academic clinical institutions in the United States. We additionally showcase the performance of our models on the UK BioBank, and two additional publicly available external datasets. We explore emergent zero-shot capabilities of our system, and demonstrate remarkable performance across a range of tasks; including the problem of left ventricular ejection fraction regression, and the diagnosis of 35 different conditions such as cardiac amyloidosis and hypertrophic cardiomyopathy. We show that our deep learning system is capable of not only understanding the staggering complexity of human cardiovascular disease, but can be directed towards clinical problems of interest yielding impressive, clinical grade diagnostic accuracy with a fraction of the training data typically required for such tasks.

Large Language Models have achieved remarkable success across various natural language processing tasks, yet their high computational cost during inference remains a major bottleneck. This paper introduces Sparse Expert Activation Pruning (SEAP), a training-free pruning method that selectively retains task-relevant parameters to reduce inference overhead. Inspired by the clustering patterns of hidden states and activations in LLMs, SEAP identifies task-specific expert activation patterns and prunes the model while preserving task performance and enhancing computational efficiency. Experimental results demonstrate that SEAP significantly reduces computational overhead while maintaining competitive accuracy. Notably, at 50% pruning, SEAP surpasses both WandA and FLAP by over 20%, and at 20% pruning, it incurs only a 2.2% performance drop compared to the dense model. These findings highlight SEAP's scalability and effectiveness, making it a promising approach for optimizing large-scale LLMs.

Large language models (LLMs) have shown remarkable performance in complex reasoning tasks, but their efficiency is hindered by the substantial memory and computational costs associated with generating lengthy tokens. In this paper, we propose LightThinker, a novel method that enables LLMs to dynamically compress intermediate thoughts during reasoning. Inspired by human cognitive processes, LightThinker compresses verbose thought steps into compact representations and discards the original reasoning chains, thereby significantly reducing the number of tokens stored in the context window. This is achieved by training the model on when and how to perform compression through data construction, mapping hidden states to condensed gist tokens, and creating specialized attention masks. Additionally, we introduce the Dependency (Dep) metric to quantify the degree of compression by measuring the reliance on historical tokens during generation. Extensive experiments on four datasets and two models show that LightThinker reduces peak memory usage and inference time, while maintaining competitive accuracy. Our work provides a new direction for improving the efficiency of LLMs in complex reasoning tasks without sacrificing performance. Code will be released at https://github.com/zjunlp/LightThinker.

Open-vocabulary detection (OVD) aims to detect objects beyond a predefined set of categories. As a pioneering model incorporating the YOLO series into OVD, YOLO-World is well-suited for scenarios prioritizing speed and efficiency.However, its performance is hindered by its neck feature fusion mechanism, which causes the quadratic complexity and the limited guided receptive fields.To address these limitations, we present Mamba-YOLO-World, a novel YOLO-based OVD model employing the proposed MambaFusion Path Aggregation Network (MambaFusion-PAN) as its neck architecture. Specifically, we introduce an innovative State Space Model-based feature fusion mechanism consisting of a Parallel-Guided Selective Scan algorithm and a Serial-Guided Selective Scan algorithm with linear complexity and globally guided receptive fields. It leverages multi-modal input sequences and mamba hidden states to guide the selective scanning process.Experiments demonstrate that our model outperforms the original YOLO-World on the COCO and LVIS benchmarks in both zero-shot and fine-tuning settings while maintaining comparable parameters and FLOPs. Additionally, it surpasses existing state-of-the-art OVD methods with fewer parameters and FLOPs.

In-context learning (ICL) approaches typically leverage prompting to condition decoder-only language model generation on reference information. Just-in-time processing of a context is inefficient due to the quadratic cost of self-attention operations, and caching is desirable. However, caching transformer states can easily require almost as much space as the model parameters. When the right context isn't known in advance, caching ICL can be challenging. This work addresses these limitations by introducing models that, inspired by the encoder-decoder architecture, use cross-attention to condition generation on reference text without the prompt. More precisely, we leverage pre-trained decoder-only models and only train a small number of added layers. We use Question-Answering (QA) as a testbed to evaluate the ability of our models to perform conditional generation and observe that they outperform ICL, are comparable to fine-tuned prompted LLMs, and drastically reduce the space footprint relative to standard KV caching by two orders of magnitude.

Historically, LLMs have been trained using either autoregressive (AR) or masked language modeling (MLM) objectives, with AR models gaining dominance in recent years. However, AR models are inherently incapable of masked infilling, which is the ability to predict masked tokens between past and future context. In contrast, MLM models suffer from intrinsic computational inefficiencies during both training and inference that hinder their scalability. This work introduces MARIA (Masked and Autoregressive Infilling Architecture), a novel approach that leverages the strengths of both paradigms to achieve state-of-the-art masked infilling performance. MARIA combines a pre-trained MLM and AR model by training a linear decoder that takes their concatenated hidden states as input. This minimal modification enables the AR model to perform infilling while retaining its inherent advantages in terms of faster inference with KV caching. Our results demonstrate that MARIA significantly outperforms existing methods, namely discrete diffusion models, on masked infilling tasks.

Protein structure prediction is pivotal for understanding the structure-function relationship of proteins, advancing biological research, and facilitating pharmaceutical development and experimental design. While deep learning methods and the expanded availability of experimental 3D protein structures have accelerated structure prediction, the dynamic nature of protein structures has received limited attention. This study introduces an innovative 4D diffusion model incorporating molecular dynamics (MD) simulation data to learn dynamic protein structures. Our approach is distinguished by the following components: (1) a unified diffusion model capable of generating dynamic protein structures, including both the backbone and side chains, utilizing atomic grouping and side-chain dihedral angle predictions; (2) a reference network that enhances structural consistency by integrating the latent embeddings of the initial 3D protein structures; and (3) a motion alignment module aimed at improving temporal structural coherence across multiple time steps. To our knowledge, this is the first diffusion-based model aimed at predicting protein trajectories across multiple time steps simultaneously. Validation on benchmark datasets demonstrates that our model exhibits high accuracy in predicting dynamic 3D structures of proteins containing up to 256 amino acids over 32 time steps, effectively capturing both local flexibility in stable states and significant conformational changes.

Although quantum simulation can give insight into elusive or intractable physical phenomena, many quantum simulators are unavoidably limited in the models they mimic. Such is also the case for atom arrays interacting via Rydberg states - a platform potentially capable of simulating any kind of spin exchange model, albeit with currently unattainable experimental capabilities. Here, we propose a new route towards simulating generic spin exchange Hamiltonians in atom arrays, using Floquet engineering with both global and local control. To demonstrate the versatility and applicability of our approach, we numerically investigate the generation of several spin exchange models which have yet to be realized in atom arrays, using only previously-demonstrated experimental capabilities. Our proposed scheme can be readily explored in many existing setups, providing a path to investigate a large class of exotic quantum spin models.

Offline reinforcement learning learns an effective policy on offline datasets without online interaction, and it attracts persistent research attention due to its potential of practical application. However, extrapolation error generated by distribution shift will still lead to the overestimation for those actions that transit to out-of-distribution(OOD) states, which degrades the reliability and robustness of the offline policy. In this paper, we propose Contextual Conservative Q-Learning(C-CQL) to learn a robustly reliable policy through the contextual information captured via an inverse dynamics model. With the supervision of the inverse dynamics model, it tends to learn a policy that generates stable transition at perturbed states, for the fact that pertuebed states are a common kind of OOD states. In this manner, we enable the learnt policy more likely to generate transition that destines to the empirical next state distributions of the offline dataset, i.e., robustly reliable transition. Besides, we theoretically reveal that C-CQL is the generalization of the Conservative Q-Learning(CQL) and aggressive State Deviation Correction(SDC). Finally, experimental results demonstrate the proposed C-CQL achieves the state-of-the-art performance in most environments of offline Mujoco suite and a noisy Mujoco setting.

We are interested in learning scalable agents for reinforcement learning that can learn from large-scale, diverse sequential data similar to current large vision and language models. To this end, this paper presents masked decision prediction (MaskDP), a simple and scalable self-supervised pretraining method for reinforcement learning (RL) and behavioral cloning (BC). In our MaskDP approach, we employ a masked autoencoder (MAE) to state-action trajectories, wherein we randomly mask state and action tokens and reconstruct the missing data. By doing so, the model is required to infer masked-out states and actions and extract information about dynamics. We find that masking different proportions of the input sequence significantly helps with learning a better model that generalizes well to multiple downstream tasks. In our empirical study, we find that a MaskDP model gains the capability of zero-shot transfer to new BC tasks, such as single and multiple goal reaching, and it can zero-shot infer skills from a few example transitions. In addition, MaskDP transfers well to offline RL and shows promising scaling behavior w.r.t. to model size. It is amenable to data-efficient finetuning, achieving competitive results with prior methods based on autoregressive pretraining.

When studying unconstrained behaviour and allowing mice to leave their cage to navigate a complex labyrinth, the mice exhibit foraging behaviour in the labyrinth searching for rewards, returning to their home cage now and then, e.g. to drink. Surprisingly, when executing such a ``home run'', the mice do not follow the exact reverse path, in fact, the entry path and home path have very little overlap. Recent work proposed a hierarchical active inference model for navigation, where the low level model makes inferences about hidden states and poses that explain sensory inputs, whereas the high level model makes inferences about moving between locations, effectively building a map of the environment. However, using this ``map'' for planning, only allows the agent to find trajectories that it previously explored, far from the observed mice's behaviour. In this paper, we explore ways of incorporating before-unvisited paths in the planning algorithm, by using the low level generative model to imagine potential, yet undiscovered paths. We demonstrate a proof of concept in a grid-world environment, showing how an agent can accurately predict a new, shorter path in the map leading to its starting point, using a generative model learnt from pixel-based observations.

From the dynamics of a broad class of classical mean-field glass models one may obtain a quantum model with finite zero-temperature entropy, a quantum transition at zero temperature, and a time-reparametrization (quasi-)invariance in the dynamical equations for correlations. The low eigenvalue spectrum of the resulting quantum model is directly related to the structure and exploration of metastable states in the landscape of the original classical glass model. This mapping reveals deep connections between classical glasses and the properties of SYK-like models.

Imitation learning learns a policy from demonstrations without requiring hand-designed reward functions. In many robotic tasks, such as autonomous racing, imitated policies must model complex environment dynamics and human decision-making. Sequence modeling is highly effective in capturing intricate patterns of motion sequences but struggles to adapt to new environments or distribution shifts that are common in real-world robotics tasks. In contrast, Adversarial Imitation Learning (AIL) can mitigate this effect, but struggles with sample inefficiency and handling complex motion patterns. Thus, we propose BeTAIL: Behavior Transformer Adversarial Imitation Learning, which combines a Behavior Transformer (BeT) policy from human demonstrations with online AIL. BeTAIL adds an AIL residual policy to the BeT policy to model the sequential decision-making process of human experts and correct for out-of-distribution states or shifts in environment dynamics. We test BeTAIL on three challenges with expert-level demonstrations of real human gameplay in Gran Turismo Sport. Our proposed residual BeTAIL reduces environment interactions and improves racing performance and stability, even when the BeT is pretrained on different tracks than downstream learning. Videos and code available at: https://sites.google.com/berkeley.edu/BeTAIL/home.

To augment language models with the ability to reason, researchers usually prompt or finetune them to produce chain of thought reasoning steps before producing the final answer. However, although people use natural language to reason effectively, it may be that LMs could reason more effectively with some intermediate computation that is not in natural language. In this work, we explore an alternative reasoning approach: instead of explicitly producing the chain of thought reasoning steps, we use the language model's internal hidden states to perform implicit reasoning. The implicit reasoning steps are distilled from a teacher model trained on explicit chain-of-thought reasoning, and instead of doing reasoning "horizontally" by producing intermediate words one-by-one, we distill it such that the reasoning happens "vertically" among the hidden states in different layers. We conduct experiments on a multi-digit multiplication task and a grade school math problem dataset and find that this approach enables solving tasks previously not solvable without explicit chain-of-thought, at a speed comparable to no chain-of-thought.

Continual pre-training has been urgent for adapting a pre-trained model to a multitude of domains and tasks in the fast-evolving world. In practice, a continually pre-trained model is expected to demonstrate not only greater capacity when fine-tuned on pre-trained domains but also a non-decreasing performance on unseen ones. In this work, we first investigate such anytime fine-tuning effectiveness of existing continual pre-training approaches, concluding with unanimously decreased performance on unseen domains. To this end, we propose a prompt-guided continual pre-training method, where we train a hypernetwork to generate domain-specific prompts by both agreement and disagreement losses. The agreement loss maximally preserves the generalization of a pre-trained model to new domains, and the disagreement one guards the exclusiveness of the generated hidden states for each domain. Remarkably, prompts by the hypernetwork alleviate the domain identity when fine-tuning and promote knowledge transfer across domains. Our method achieved improvements of 3.57% and 3.4% on two real-world datasets (including domain shift and temporal shift), respectively, demonstrating its efficacy.

I propose a version of quantum mechanics featuring a discrete and finite number of states that is plausibly a model of the real world. The model is based on standard unitary quantum theory of a closed system with a finite-dimensional Hilbert space. Given certain simple conditions on the spectrum of the Hamiltonian, Schr\"odinger evolution is periodic, and it is straightforward to replace continuous time with a discrete version, with the result that the system only visits a discrete and finite set of state vectors. The biggest challenges to the viability of such a model come from cosmological considerations. The theory may have implications for questions of mathematical realism and finitism.

Automating garment manipulation poses a significant challenge for assistive robotics due to the diverse and deformable nature of garments. Traditional approaches typically require separate models for each garment type, which limits scalability and adaptability. In contrast, this paper presents a unified approach using vision-language models (VLMs) to improve keypoint prediction across various garment categories. By interpreting both visual and semantic information, our model enables robots to manage different garment states with a single model. We created a large-scale synthetic dataset using advanced simulation techniques, allowing scalable training without extensive real-world data. Experimental results indicate that the VLM-based method significantly enhances keypoint detection accuracy and task success rates, providing a more flexible and general solution for robotic garment manipulation. In addition, this research also underscores the potential of VLMs to unify various garment manipulation tasks within a single framework, paving the way for broader applications in home automation and assistive robotics for future.

Can we teach natural language understanding models to track their beliefs through intermediate points in text? We propose a representation learning framework called breakpoint modeling that allows for learning of this type. Given any text encoder and data marked with intermediate states (breakpoints) along with corresponding textual queries viewed as true/false propositions (i.e., the candidate beliefs of a model, consisting of information changing through time) our approach trains models in an efficient and end-to-end fashion to build intermediate representations that facilitate teaching and direct querying of beliefs at arbitrary points alongside solving other end tasks. To show the benefit of our approach, we experiment with a diverse set of NLU tasks including relational reasoning on CLUTRR and narrative understanding on bAbI. Using novel belief prediction tasks for both tasks, we show the benefit of our main breakpoint transformer, based on T5, over conventional representation learning approaches in terms of processing efficiency, prediction accuracy and prediction consistency, all with minimal to no effect on corresponding QA end tasks. To show the feasibility of incorporating our belief tracker into more complex reasoning pipelines, we also obtain SOTA performance on the three-tiered reasoning challenge for the TRIP benchmark (around 23-32% absolute improvement on Tasks 2-3).

The success of the text-guided diffusion model has inspired the development and release of numerous powerful diffusion models within the open-source community. These models are typically fine-tuned on various expert datasets, showcasing diverse denoising capabilities. Leveraging multiple high-quality models to produce stronger generation ability is valuable, but has not been extensively studied. Existing methods primarily adopt parameter merging strategies to produce a new static model. However, they overlook the fact that the divergent denoising capabilities of the models may dynamically change across different states, such as when experiencing different prompts, initial noises, denoising steps, and spatial locations. In this paper, we propose a novel ensembling method, Adaptive Feature Aggregation (AFA), which dynamically adjusts the contributions of multiple models at the feature level according to various states (i.e., prompts, initial noises, denoising steps, and spatial locations), thereby keeping the advantages of multiple diffusion models, while suppressing their disadvantages. Specifically, we design a lightweight Spatial-Aware Block-Wise (SABW) feature aggregator that adaptive aggregates the block-wise intermediate features from multiple U-Net denoisers into a unified one. The core idea lies in dynamically producing an individual attention map for each model's features by comprehensively considering various states. It is worth noting that only SABW is trainable with about 50 million parameters, while other models are frozen. Both the quantitative and qualitative experiments demonstrate the effectiveness of our proposed Adaptive Feature Aggregation method. The code is available at https://github.com/tenvence/afa/.

Naturally controllable human-scene interaction (HSI) generation has an important role in various fields, such as VR/AR content creation and human-centered AI. However, existing methods are unnatural and unintuitive in their controllability, which heavily limits their application in practice. Therefore, we focus on a challenging task of naturally and controllably generating realistic and diverse HSIs from textual descriptions. From human cognition, the ideal generative model should correctly reason about spatial relationships and interactive actions. To that end, we propose Narrator, a novel relationship reasoning-based generative approach using a conditional variation autoencoder for naturally controllable generation given a 3D scene and a textual description. Also, we model global and local spatial relationships in a 3D scene and a textual description respectively based on the scene graph, and introduce a partlevel action mechanism to represent interactions as atomic body part states. In particular, benefiting from our relationship reasoning, we further propose a simple yet effective multi-human generation strategy, which is the first exploration for controllable multi-human scene interaction generation. Our extensive experiments and perceptual studies show that Narrator can controllably generate diverse interactions and significantly outperform existing works. The code and dataset will be available for research purposes.

We introduce fusion-based quantum computing (FBQC) - a model of universal quantum computation in which entangling measurements, called fusions, are performed on the qubits of small constant-sized entangled resource states. We introduce a stabilizer formalism for analyzing fault tolerance and computation in these schemes. This framework naturally captures the error structure that arises in certain physical systems for quantum computing, such as photonics. FBQC can offer significant architectural simplifications, enabling hardware made up of many identical modules, requiring an extremely low depth of operations on each physical qubit and reducing classical processing requirements. We present two pedagogical examples of fault-tolerant schemes constructed in this framework and numerically evaluate their threshold under a hardware agnostic fusion error model including both erasure and Pauli error. We also study an error model of linear optical quantum computing with probabilistic fusion and photon loss. In FBQC the non-determinism of fusion is directly dealt with by the quantum error correction protocol, along with other errors. We find that tailoring the fault-tolerance framework to the physical system allows the scheme to have a higher threshold than schemes reported in literature. We present a ballistic scheme which can tolerate a 10.4% probability of suffering photon loss in each fusion.

Large language models (LLMs) have been successfully adapted for interactive decision-making tasks like web navigation. While achieving decent performance, previous methods implicitly assume a forward-only execution mode for the model, where they only provide oracle trajectories as in-context examples to teach the model how to reason in the interactive environment. Consequently, the model could not handle more challenging scenarios not covered in the in-context examples, e.g., mistakes, leading to sub-optimal performance. To address this issue, we propose to model the interactive task as state space exploration, where the LLM agent transitions among a pre-defined set of states by performing actions to complete the task. This formulation enables flexible back-tracking, allowing the model to easily recover from errors. We evaluate our proposed LLM Agent with State-Space ExploRation (LASER) on the WebShop task. Experimental results show that our LASER agent significantly outperforms previous methods and closes the gap with human performance on the web navigation task.

We present a self-supervised sensorimotor pre-training approach for robotics. Our model, called RPT, is a Transformer that operates on sequences of sensorimotor tokens. Given a sequence of camera images, proprioceptive robot states, and past actions, we encode the interleaved sequence into tokens, mask out a random subset, and train a model to predict the masked-out content. We hypothesize that if the robot can predict the missing content it has acquired a good model of the physical world that can enable it to act. RPT is designed to operate on latent visual representations which makes prediction tractable, enables scaling to 10x larger models, and 10 Hz inference on a real robot. To evaluate our approach, we collect a dataset of 20,000 real-world trajectories over 9 months using a combination of motion planning and model-based grasping algorithms. We find that pre-training on this data consistently outperforms training from scratch, leads to 2x improvements in the block stacking task, and has favorable scaling properties.

Large Language Models (LLMs) often generate inconsistent responses when prompted with semantically equivalent paraphrased inputs. Recently, activation steering, a technique that modulates LLMs' behaviours by adjusting their latent representations during inference time, has been explored to improve the semantic consistency of LLMs. However, these methods typically operate at the model component level, such as layer hidden states or attention head outputs. They face a challenge due to the ``polysemanticity issue'', where the model components of LLMs typically encode multiple entangled features, making precise steering difficult. To address this challenge, we drill down to feature-level representations and propose LF-Steering, a novel activation steering approach to precisely identify latent feature representations responsible for semantic inconsistency. More specifically, our method maps the hidden states of the relevant transformer layer into a sparsely activated, high-dimensional feature space based on a sparse autoencoder (SAE), ensuring model steering based on decoupled feature representations with minimal interference. Comprehensive experiments on NLU and NLG datasets demonstrate the effectiveness of our method in enhancing semantic consistency, resulting in significant performance gains for various NLU and NLG tasks.

Empowerment has the potential to help agents learn large skillsets, but is not yet a scalable solution for training general-purpose agents. Recent empowerment methods learn diverse skillsets by maximizing the mutual information between skills and states; however, these approaches require a model of the transition dynamics, which can be challenging to learn in realistic settings with high-dimensional and stochastic observations. We present Latent-Predictive Empowerment (LPE), an algorithm that can compute empowerment in a more practical manner. LPE learns large skillsets by maximizing an objective that is a principled replacement for the mutual information between skills and states and that only requires a simpler latent-predictive model rather than a full simulator of the environment. We show empirically in a variety of settings--including ones with high-dimensional observations and highly stochastic transition dynamics--that our empowerment objective (i) learns similar-sized skillsets as the leading empowerment algorithm that assumes access to a model of the transition dynamics and (ii) outperforms other model-based approaches to empowerment.

Finetuning large language models (LLMs) has been empirically effective on a variety of downstream tasks. Existing approaches to finetuning an LLM either focus on parameter-efficient finetuning, which only updates a small number of trainable parameters, or attempt to reduce the memory footprint during the training phase of the finetuning. Typically, the memory footprint during finetuning stems from three contributors: model weights, optimizer states, and intermediate activations. However, existing works still require considerable memory and none can simultaneously mitigate memory footprint for all three sources. In this paper, we present Quantized Side Tuing (QST), which enables memory-efficient and fast finetuning of LLMs by operating through a dual-stage process. First, QST quantizes an LLM's model weights into 4-bit to reduce the memory footprint of the LLM's original weights; QST also introduces a side network separated from the LLM, which utilizes the hidden states of the LLM to make task-specific predictions. Using a separate side network avoids performing backpropagation through the LLM, thus reducing the memory requirement of the intermediate activations. Furthermore, QST leverages several low-rank adaptors and gradient-free downsample modules to significantly reduce the trainable parameters, so as to save the memory footprint of the optimizer states. Experiments show that QST can reduce the total memory footprint by up to 2.3 times and speed up the finetuning process by up to 3 times while achieving competent performance compared with the state-of-the-art. When it comes to full finetuning, QST can reduce the total memory footprint up to 7 times.

We present a new technique to enhance the robustness of imitation learning methods by generating corrective data to account for compounding errors and disturbances. While existing methods rely on interactive expert labeling, additional offline datasets, or domain-specific invariances, our approach requires minimal additional assumptions beyond access to expert data. The key insight is to leverage local continuity in the environment dynamics to generate corrective labels. Our method first constructs a dynamics model from the expert demonstration, encouraging local Lipschitz continuity in the learned model. In locally continuous regions, this model allows us to generate corrective labels within the neighborhood of the demonstrations but beyond the actual set of states and actions in the dataset. Training on this augmented data enhances the agent's ability to recover from perturbations and deal with compounding errors. We demonstrate the effectiveness of our generated labels through experiments in a variety of robotics domains in simulation that have distinct forms of continuity and discontinuity, including classic control problems, drone flying, navigation with high-dimensional sensor observations, legged locomotion, and tabletop manipulation.

Recent advances in language representation using neural networks have made it viable to transfer the learned internal states of a trained model to downstream natural language processing tasks, such as named entity recognition (NER) and question answering. It has been shown that the leverage of pre-trained language models improves the overall performance on many tasks and is highly beneficial when labeled data is scarce. In this work, we train Portuguese BERT models and employ a BERT-CRF architecture to the NER task on the Portuguese language, combining the transfer capabilities of BERT with the structured predictions of CRF. We explore feature-based and fine-tuning training strategies for the BERT model. Our fine-tuning approach obtains new state-of-the-art results on the HAREM I dataset, improving the F1-score by 1 point on the selective scenario (5 NE classes) and by 4 points on the total scenario (10 NE classes).

Much effort has been devoted to evaluate whether multi-task learning can be leveraged to learn rich representations that can be used in various Natural Language Processing (NLP) down-stream applications. However, there is still a lack of understanding of the settings in which multi-task learning has a significant effect. In this work, we introduce a hierarchical model trained in a multi-task learning setup on a set of carefully selected semantic tasks. The model is trained in a hierarchical fashion to introduce an inductive bias by supervising a set of low level tasks at the bottom layers of the model and more complex tasks at the top layers of the model. This model achieves state-of-the-art results on a number of tasks, namely Named Entity Recognition, Entity Mention Detection and Relation Extraction without hand-engineered features or external NLP tools like syntactic parsers. The hierarchical training supervision induces a set of shared semantic representations at lower layers of the model. We show that as we move from the bottom to the top layers of the model, the hidden states of the layers tend to represent more complex semantic information.

Theory of mind (ToM; Premack & Woodruff, 1978) broadly refers to humans' ability to represent the mental states of others, including their desires, beliefs, and intentions. We propose to train a machine to build such models too. We design a Theory of Mind neural network -- a ToMnet -- which uses meta-learning to build models of the agents it encounters, from observations of their behaviour alone. Through this process, it acquires a strong prior model for agents' behaviour, as well as the ability to bootstrap to richer predictions about agents' characteristics and mental states using only a small number of behavioural observations. We apply the ToMnet to agents behaving in simple gridworld environments, showing that it learns to model random, algorithmic, and deep reinforcement learning agents from varied populations, and that it passes classic ToM tasks such as the "Sally-Anne" test (Wimmer & Perner, 1983; Baron-Cohen et al., 1985) of recognising that others can hold false beliefs about the world. We argue that this system -- which autonomously learns how to model other agents in its world -- is an important step forward for developing multi-agent AI systems, for building intermediating technology for machine-human interaction, and for advancing the progress on interpretable AI.

Tracking objects in three-dimensional space is critical for autonomous driving. To ensure safety while driving, the tracker must be able to reliably track objects across frames and accurately estimate their states such as velocity and acceleration in the present. Existing works frequently focus on the association task while either neglecting the model performance on state estimation or deploying complex heuristics to predict the states. In this paper, we propose STT, a Stateful Tracking model built with Transformers, that can consistently track objects in the scenes while also predicting their states accurately. STT consumes rich appearance, geometry, and motion signals through long term history of detections and is jointly optimized for both data association and state estimation tasks. Since the standard tracking metrics like MOTA and MOTP do not capture the combined performance of the two tasks in the wider spectrum of object states, we extend them with new metrics called S-MOTA and MOTPS that address this limitation. STT achieves competitive real-time performance on the Waymo Open Dataset.

Manipulating objects to achieve desired goal states is a basic but important skill for dexterous manipulation. Human hand motions demonstrate proficient manipulation capability, providing valuable data for training robots with multi-finger hands. Despite this potential, substantial challenges arise due to the embodiment gap between human and robot hands. In this work, we introduce a hierarchical policy learning framework that uses human hand motion data for training object-centric dexterous robot manipulation. At the core of our method is a high-level trajectory generative model, learned with a large-scale human hand motion capture dataset, to synthesize human-like wrist motions conditioned on the desired object goal states. Guided by the generated wrist motions, deep reinforcement learning is further used to train a low-level finger controller that is grounded in the robot's embodiment to physically interact with the object to achieve the goal. Through extensive evaluation across 10 household objects, our approach not only demonstrates superior performance but also showcases generalization capability to novel object geometries and goal states. Furthermore, we transfer the learned policies from simulation to a real-world bimanual dexterous robot system, further demonstrating its applicability in real-world scenarios. Project website: https://cypypccpy.github.io/obj-dex.github.io/.

In this paper, we explore FP8 low-bit data formats for efficient training of large language models (LLMs). Our key insight is that most variables, such as gradients and optimizer states, in LLM training can employ low-precision data formats without compromising model accuracy and requiring no changes to hyper-parameters. Specifically, we propose a new FP8 automatic mixed-precision framework for training LLMs. This framework offers three levels of FP8 utilization to streamline mixed-precision and distributed parallel training for LLMs. It gradually incorporates 8-bit gradients, optimizer states, and distributed learning in an incremental manner. Experiment results show that, during the training of GPT-175B model on H100 GPU platform, our FP8 mixed-precision training framework not only achieved a remarkable 42% reduction in real memory usage but also ran 64% faster than the widely adopted BF16 framework (i.e., Megatron-LM), surpassing the speed of Nvidia Transformer Engine by 17%. This largely reduces the training costs for large foundation models. Furthermore, our FP8 mixed-precision training methodology is generic. It can be seamlessly applied to other tasks such as LLM instruction tuning and reinforcement learning with human feedback, offering savings in fine-tuning expenses. Our FP8 low-precision training framework is open-sourced at {https://github.com/Azure/MS-AMP}{aka.ms/MS.AMP}.

Predicting drug efficacy and safety in vivo requires information on biological responses (e.g., cell morphology and gene expression) to small molecule perturbations. However, current molecular representation learning methods do not provide a comprehensive view of cell states under these perturbations and struggle to remove noise, hindering model generalization. We introduce the Information Alignment (InfoAlign) approach to learn molecular representations through the information bottleneck method in cells. We integrate molecules and cellular response data as nodes into a context graph, connecting them with weighted edges based on chemical, biological, and computational criteria. For each molecule in a training batch, InfoAlign optimizes the encoder's latent representation with a minimality objective to discard redundant structural information. A sufficiency objective decodes the representation to align with different feature spaces from the molecule's neighborhood in the context graph. We demonstrate that the proposed sufficiency objective for alignment is tighter than existing encoder-based contrastive methods. Empirically, we validate representations from InfoAlign in two downstream tasks: molecular property prediction against up to 19 baseline methods across four datasets, plus zero-shot molecule-morphology matching.

The Instruction-Driven Game Engine (IDGE) project aims to democratize game development by enabling a large language model (LLM) to follow free-form game descriptions and generate game-play processes. The IDGE allows users to create games simply by natural language instructions, which significantly lowers the barrier for game development. We approach the learning process for IDGEs as a Next State Prediction task, wherein the model autoregressively predicts the game states given player actions. The computation of game states must be precise; otherwise, slight errors could corrupt the game-play experience. This is challenging because of the gap between stability and diversity. To address this, we train the IDGE in a curriculum manner that progressively increases its exposure to complex scenarios. Our initial progress lies in developing an IDGE for Poker, which not only supports a wide range of poker variants but also allows for highly individualized new poker games through natural language inputs. This work lays the groundwork for future advancements in transforming how games are created and played.

The privacy in classical federated learning can be breached through the use of local gradient results along with engineered queries to the clients. However, quantum communication channels are considered more secure because a measurement on the channel causes a loss of information, which can be detected by the sender. Therefore, the quantum version of federated learning can be used to provide more privacy. Additionally, sending an N dimensional data vector through a quantum channel requires sending log N entangled qubits, which can potentially provide exponential efficiency if the data vector is utilized as quantum states. In this paper, we propose a quantum federated learning model where fixed design quantum chips are operated based on the quantum states sent by a centralized server. Based on the coming superposition states, the clients compute and then send their local gradients as quantum states to the server, where they are aggregated to update parameters. Since the server does not send model parameters, but instead sends the operator as a quantum state, the clients are not required to share the model. This allows for the creation of asynchronous learning models. In addition, the model as a quantum state is fed into client-side chips directly; therefore, it does not require measurements on the upcoming quantum state to obtain model parameters in order to compute gradients. This can provide efficiency over the models where the parameter vector is sent via classical or quantum channels and local gradients are obtained through the obtained values of these parameters.

Many NLP tasks benefit from using large language models (LLMs) that often have more than 100 billion parameters. With the release of BLOOM-176B and OPT-175B, everyone can download pretrained models of this scale. Still, using these models requires high-end hardware unavailable to many researchers. In some cases, LLMs can be used more affordably via RAM offloading or hosted APIs. However, these techniques have innate limitations: offloading is too slow for interactive inference, while APIs are not flexible enough for research that requires access to weights, attention or logits. In this work, we propose Petals - a system for inference and fine-tuning of large models collaboratively by joining the resources of multiple parties. We demonstrate that this strategy outperforms offloading for very large models, running inference of BLOOM-176B on consumer GPUs with approx 1 step per second, which is enough for many interactive LLM applications. Unlike most inference APIs, Petals also natively exposes hidden states of served models, allowing to train and share custom model extensions based on efficient fine-tuning methods.

Current efforts to learn scalable policies in robotic manipulation primarily fall into two categories: one focuses on "action," which involves behavior cloning from extensive collections of robotic data, while the other emphasizes "vision," enhancing model generalization by pre-training representations or generative models, also referred to as world models, using large-scale visual datasets. This paper presents an end-to-end paradigm that predicts actions using inverse dynamics models conditioned on the robot's forecasted visual states, named Predictive Inverse Dynamics Models (PIDM). By closing the loop between vision and action, the end-to-end PIDM can be a better scalable action learner. In practice, we use Transformers to process both visual states and actions, naming the model Seer. It is initially pre-trained on large-scale robotic datasets, such as DROID, and can be adapted to realworld scenarios with a little fine-tuning data. Thanks to large-scale, end-to-end training and the synergy between vision and action, Seer significantly outperforms previous methods across both simulation and real-world experiments. It achieves improvements of 13% on the LIBERO-LONG benchmark, 21% on CALVIN ABC-D, and 43% in real-world tasks. Notably, Seer sets a new state-of-the-art on CALVIN ABC-D benchmark, achieving an average length of 4.28, and exhibits superior generalization for novel objects, lighting conditions, and environments under high-intensity disturbances on real-world scenarios. Code and models are publicly available at https://github.com/OpenRobotLab/Seer/.

This paper studies the sample-efficiency of learning in Partially Observable Markov Decision Processes (POMDPs), a challenging problem in reinforcement learning that is known to be exponentially hard in the worst-case. Motivated by real-world settings such as loading in game playing, we propose an enhanced feedback model called ``multiple observations in hindsight'', where after each episode of interaction with the POMDP, the learner may collect multiple additional observations emitted from the encountered latent states, but may not observe the latent states themselves. We show that sample-efficient learning under this feedback model is possible for two new subclasses of POMDPs: multi-observation revealing POMDPs and distinguishable POMDPs. Both subclasses generalize and substantially relax revealing POMDPs -- a widely studied subclass for which sample-efficient learning is possible under standard trajectory feedback. Notably, distinguishable POMDPs only require the emission distributions from different latent states to be different instead of linearly independent as required in revealing POMDPs.

Prior work on controllable text generation has focused on learning how to control language models through trainable decoding, smart-prompt design, or fine-tuning based on a desired objective. We hypothesize that the information needed to steer the model to generate a target sentence is already encoded within the model. Accordingly, we explore a different approach altogether: extracting latent vectors directly from pretrained language model decoders without fine-tuning. Experiments show that there exist steering vectors, which, when added to the hidden states of the language model, generate a target sentence nearly perfectly (> 99 BLEU) for English sentences from a variety of domains. We show that vector arithmetic can be used for unsupervised sentiment transfer on the Yelp sentiment benchmark, with performance comparable to models tailored to this task. We find that distances between steering vectors reflect sentence similarity when evaluated on a textual similarity benchmark (STS-B), outperforming pooled hidden states of models. Finally, we present an analysis of the intrinsic properties of the steering vectors. Taken together, our results suggest that frozen LMs can be effectively controlled through their latent steering space.

Deep neural networks have recently been shown to achieve highly competitive performance in many computer vision tasks due to their abilities of exploring in a much larger hypothesis space. However, since most deep architectures like stacked RNNs tend to suffer from the vanishing-gradient and overfitting problems, their effects are still understudied in many NLP tasks. Inspired by this, we propose a novel multi-layer RNN model called densely connected bidirectional long short-term memory (DC-Bi-LSTM) in this paper, which essentially represents each layer by the concatenation of its hidden state and all preceding layers' hidden states, followed by recursively passing each layer's representation to all subsequent layers. We evaluate our proposed model on five benchmark datasets of sentence classification. DC-Bi-LSTM with depth up to 20 can be successfully trained and obtain significant improvements over the traditional Bi-LSTM with the same or even less parameters. Moreover, our model has promising performance compared with the state-of-the-art approaches.

This paper introduces Self-aware Knowledge Retrieval (SeaKR), a novel adaptive RAG model that extracts self-aware uncertainty of LLMs from their internal states. SeaKR activates retrieval when the LLMs present high self-aware uncertainty for generation. To effectively integrate retrieved knowledge snippets, SeaKR re-ranks them based on LLM's self-aware uncertainty to preserve the snippet that reduces their uncertainty to the utmost. To facilitate solving complex tasks that require multiple retrievals, SeaKR utilizes their self-aware uncertainty to choose among different reasoning strategies. Our experiments on both complex and simple Question Answering datasets show that SeaKR outperforms existing adaptive RAG methods. We release our code at https://github.com/THU-KEG/SeaKR.

We argue that there are many notions of 'similarity' and that models, like humans, should be able to adapt to these dynamically. This contrasts with most representation learning methods, supervised or self-supervised, which learn a fixed embedding function and hence implicitly assume a single notion of similarity. For instance, models trained on ImageNet are biased towards object categories, while a user might prefer the model to focus on colors, textures or specific elements in the scene. In this paper, we propose the GeneCIS ('genesis') benchmark, which measures models' ability to adapt to a range of similarity conditions. Extending prior work, our benchmark is designed for zero-shot evaluation only, and hence considers an open-set of similarity conditions. We find that baselines from powerful CLIP models struggle on GeneCIS and that performance on the benchmark is only weakly correlated with ImageNet accuracy, suggesting that simply scaling existing methods is not fruitful. We further propose a simple, scalable solution based on automatically mining information from existing image-caption datasets. We find our method offers a substantial boost over the baselines on GeneCIS, and further improves zero-shot performance on related image retrieval benchmarks. In fact, though evaluated zero-shot, our model surpasses state-of-the-art supervised models on MIT-States. Project page at https://sgvaze.github.io/genecis/.

Activity difference based learning algorithms-such as contrastive Hebbian learning and equilibrium propagation-have been proposed as biologically plausible alternatives to error back-propagation. However, on traditional digital chips these algorithms suffer from having to solve a costly inference problem twice, making these approaches more than two orders of magnitude slower than back-propagation. In the analog realm equilibrium propagation may be promising for fast and energy efficient learning, but states still need to be inferred and stored twice. Inspired by lifted neural networks and compartmental neuron models we propose a simple energy based compartmental neuron model, termed dual propagation, in which each neuron is a dyad with two intrinsic states. At inference time these intrinsic states encode the error/activity duality through their difference and their mean respectively. The advantage of this method is that only a single inference phase is needed and that inference can be solved in layerwise closed-form. Experimentally we show on common computer vision datasets, including Imagenet32x32, that dual propagation performs equivalently to back-propagation both in terms of accuracy and runtime.

In contrast to RNNs, which compress previous tokens into a single hidden state, Transformers can attend to all previous tokens directly. However, standard Transformers only use representations from the immediately preceding layer. In this paper, we show that this design choice causes representation collapse and leads to suboptimal performance. To address this issue, we introduce Layer-Integrated Memory (LIMe), a simple yet powerful approach that preserves the model's overall memory footprint while expanding its representational capacity by allowing access to hidden states from earlier layers. Through extensive experiments across various architectures and different lookup mechanisms, we demonstrate consistent performance improvements on a wide range of tasks. Moreover, our analysis of the learned representation dynamics and our exploration of depthwise circuits reveal how LIMe integrates information across layers, pointing to promising directions for future research.

Synthesizing semantic-aware, long-horizon, human-object interaction is critical to simulate realistic human behaviors. In this work, we address the challenging problem of generating synchronized object motion and human motion guided by language descriptions in 3D scenes. We propose Controllable Human-Object Interaction Synthesis (CHOIS), an approach that generates object motion and human motion simultaneously using a conditional diffusion model given a language description, initial object and human states, and sparse object waypoints. While language descriptions inform style and intent, waypoints ground the motion in the scene and can be effectively extracted using high-level planning methods. Naively applying a diffusion model fails to predict object motion aligned with the input waypoints and cannot ensure the realism of interactions that require precise hand-object contact and appropriate contact grounded by the floor. To overcome these problems, we introduce an object geometry loss as additional supervision to improve the matching between generated object motion and input object waypoints. In addition, we design guidance terms to enforce contact constraints during the sampling process of the trained diffusion model.

Solving complex long-horizon robotic manipulation problems requires sophisticated high-level planning capabilities, the ability to reason about the physical world, and reactively choose appropriate motor skills. Vision-language models (VLMs) pretrained on Internet data could in principle offer a framework for tackling such problems. However, in their current form, VLMs lack both the nuanced understanding of intricate physics required for robotic manipulation and the ability to reason over long horizons to address error compounding issues. In this paper, we introduce a novel test-time computation framework that enhances VLMs' physical reasoning capabilities for multi-stage manipulation tasks. At its core, our approach iteratively improves a pretrained VLM with a "reflection" mechanism - it uses a generative model to imagine future world states, leverages these predictions to guide action selection, and critically reflects on potential suboptimalities to refine its reasoning. Experimental results demonstrate that our method significantly outperforms several state-of-the-art commercial VLMs as well as other post-training approaches such as Monte Carlo Tree Search (MCTS). Videos are available at https://reflect-vlm.github.io.

We explore how to enhance next-token prediction models to perform in-context imitation learning on a real robot, where the robot executes new tasks by interpreting contextual information provided during the input phase, without updating its underlying policy parameters. We propose In-Context Robot Transformer (ICRT), a causal transformer that performs autoregressive prediction on sensorimotor trajectories without relying on any linguistic data or reward function. This formulation enables flexible and training-free execution of new tasks at test time, achieved by prompting the model with sensorimotor trajectories of the new task composing of image observations, actions and states tuples, collected through human teleoperation. Experiments with a Franka Emika robot demonstrate that the ICRT can adapt to new tasks specified by prompts, even in environment configurations that differ from both the prompt and the training data. In a multitask environment setup, ICRT significantly outperforms current state-of-the-art next-token prediction models in robotics on generalizing to unseen tasks. Code, checkpoints and data are available on https://icrt.dev/

We report a mixture of expert strategy to create fine-tuned large language models using a deep layer-wise token-level approach based on low-rank adaptation (LoRA). Starting with a set of pre-trained LoRA adapters, we propose a gating strategy that uses the hidden states to dynamically mix adapted layers, allowing the resulting X-LoRA model to draw upon different capabilities and create never-before-used deep layer-wise combinations of adaptations are established to solve specific tasks. The design is inspired by the biological principles of universality and diversity, where neural network building blocks are reused in different hierarchical manifestations. Hence, the X-LoRA model can be easily implemented for any existing large language model (LLM) without a need for modifications of the underlying structure. We develop a tailored X-LoRA model that offers scientific capabilities including forward/inverse analysis tasks and enhanced reasoning capability, focused on biomaterial analysis, protein mechanics and design. The impact of this work include access to readily expandable, adaptable and changeable models with strong domain knowledge and the capability to integrate across areas of knowledge. With the X-LoRA model featuring experts in biology, mathematics, reasoning, bio-inspired materials, mechanics and materials, chemistry, and protein mechanics we conduct a series of physics-focused case studies. We examine knowledge recall, protein mechanics forward/inverse tasks, protein design, and adversarial agentic modeling including ontological knowledge graphs. The model is capable not only of making quantitative predictions of nanomechanical properties of proteins, but also reasons over the results and correctly predicts likely mechanisms that explain distinct molecular behaviors.

Large multimodal models have demonstrated impressive problem-solving abilities in vision and language tasks, and have the potential to encode extensive world knowledge. However, it remains an open challenge for these models to perceive, reason, plan, and act in realistic environments. In this work, we introduce Can-Do, a benchmark dataset designed to evaluate embodied planning abilities through more diverse and complex scenarios than previous datasets. Our dataset includes 400 multimodal samples, each consisting of natural language user instructions, visual images depicting the environment, state changes, and corresponding action plans. The data encompasses diverse aspects of commonsense knowledge, physical understanding, and safety awareness. Our fine-grained analysis reveals that state-of-the-art models, including GPT-4V, face bottlenecks in visual perception, comprehension, and reasoning abilities. To address these challenges, we propose NeuroGround, a neurosymbolic framework that first grounds the plan generation in the perceived environment states and then leverages symbolic planning engines to augment the model-generated plans. Experimental results demonstrate the effectiveness of our framework compared to strong baselines. Our code and dataset are available at https://embodied-planning.github.io.

Inverse design, where we seek to design input variables in order to optimize an underlying objective function, is an important problem that arises across fields such as mechanical engineering to aerospace engineering. Inverse design is typically formulated as an optimization problem, with recent works leveraging optimization across learned dynamics models. However, as models are optimized they tend to fall into adversarial modes, preventing effective sampling. We illustrate that by instead optimizing over the learned energy function captured by the diffusion model, we can avoid such adversarial examples and significantly improve design performance. We further illustrate how such a design system is compositional, enabling us to combine multiple different diffusion models representing subcomponents of our desired system to design systems with every specified component. In an N-body interaction task and a challenging 2D multi-airfoil design task, we demonstrate that by composing the learned diffusion model at test time, our method allows us to design initial states and boundary shapes that are more complex than those in the training data. Our method generalizes to more objects for N-body dataset and discovers formation flying to minimize drag in the multi-airfoil design task. Project website and code can be found at https://github.com/AI4Science-WestlakeU/cindm.

Understanding sentence meanings and updating information states appropriately across time -- what we call "situational understanding" (SU) -- is a critical ability for human-like AI agents. SU is essential in particular for chat models, such as ChatGPT, to enable consistent, coherent, and effective dialogue between humans and AI. Previous works have identified certain SU limitations in non-chatbot Large Language models (LLMs), but the extent and causes of these limitations are not well understood, and capabilities of current chat-based models in this domain have not been explored. In this work we tackle these questions, proposing a novel synthetic environment for SU testing which allows us to do controlled and systematic testing of SU in chat-oriented models, through assessment of models' ability to track and enumerate environment states. Our environment also allows for close analysis of dynamics of model performance, to better understand underlying causes for performance patterns. We apply our test to ChatGPT, the state-of-the-art chatbot, and find that despite the fundamental simplicity of the task, the model's performance reflects an inability to retain correct environment states across time. Our follow-up analyses suggest that performance degradation is largely because ChatGPT has non-persistent in-context memory (although it can access the full dialogue history) and it is susceptible to hallucinated updates -- including updates that artificially inflate accuracies. Our findings suggest overall that ChatGPT is not currently equipped for robust tracking of situation states, and that trust in the impressive dialogue performance of ChatGPT comes with risks. We release the codebase for reproducing our test environment, as well as all prompts and API responses from ChatGPT, at https://github.com/yangalan123/SituationalTesting.

Graph Neural Networks (GNNs) with equivariant properties have emerged as powerful tools for modeling complex dynamics of multi-object physical systems. However, their generalization ability is limited by the inadequate consideration of physical inductive biases: (1) Existing studies overlook the continuity of transitions among system states, opting to employ several discrete transformation layers to learn the direct mapping between two adjacent states; (2) Most models only account for first-order velocity information, despite the fact that many physical systems are governed by second-order motion laws. To incorporate these inductive biases, we propose the Second-order Equivariant Graph Neural Ordinary Differential Equation (SEGNO). Specifically, we show how the second-order continuity can be incorporated into GNNs while maintaining the equivariant property. Furthermore, we offer theoretical insights into SEGNO, highlighting that it can learn a unique trajectory between adjacent states, which is crucial for model generalization. Additionally, we prove that the discrepancy between this learned trajectory of SEGNO and the true trajectory is bounded. Extensive experiments on complex dynamical systems including molecular dynamics and motion capture demonstrate that our model yields a significant improvement over the state-of-the-art baselines.

Large transformer models powered by diverse data and model scale have dominated natural language modeling and computer vision and pushed the frontier of multiple AI areas. In reinforcement learning (RL), despite many efforts into transformer-based policies, a key limitation, however, is that current transformer-based policies cannot learn by directly combining information from multiple sub-optimal trials. In this work, we address this issue using recently proposed chain of hindsight to relabel experience, where we train a transformer on a sequence of trajectory experience ascending sorted according to their total rewards. Our method consists of relabelling target return of each trajectory to the maximum total reward among in sequence of trajectories and training an autoregressive model to predict actions conditioning on past states, actions, rewards, target returns, and task completion tokens, the resulting model, Agentic Transformer (AT), can learn to improve upon itself both at training and test time. As we show on D4RL and ExoRL benchmarks, to the best our knowledge, this is the first time that a simple transformer-based model performs competitively with both temporal-difference and imitation-learning-based approaches, even from sub-optimal data. Our Agentic Transformer also shows a promising scaling trend that bigger models consistently improve results.

We propose a simple technique for encouraging generative RNNs to plan ahead. We train a "backward" recurrent network to generate a given sequence in reverse order, and we encourage states of the forward model to predict cotemporal states of the backward model. The backward network is used only during training, and plays no role during sampling or inference. We hypothesize that our approach eases modeling of long-term dependencies by implicitly forcing the forward states to hold information about the longer-term future (as contained in the backward states). We show empirically that our approach achieves 9% relative improvement for a speech recognition task, and achieves significant improvement on a COCO caption generation task.

Recently, bound propagation based certified robust training methods have been proposed for training neural networks with certifiable robustness guarantees. Despite that state-of-the-art (SOTA) methods including interval bound propagation (IBP) and CROWN-IBP have per-batch training complexity similar to standard neural network training, they usually use a long warmup schedule with hundreds or thousands epochs to reach SOTA performance and are thus still costly. In this paper, we identify two important issues in existing methods, namely exploded bounds at initialization, and the imbalance in ReLU activation states and improve IBP training. These two issues make certified training difficult and unstable, and thereby long warmup schedules were needed in prior works. To mitigate these issues and conduct faster certified training with shorter warmup, we propose three improvements based on IBP training: 1) We derive a new weight initialization method for IBP training; 2) We propose to fully add Batch Normalization (BN) to each layer in the model, since we find BN can reduce the imbalance in ReLU activation states; 3) We also design regularization to explicitly tighten certified bounds and balance ReLU activation states during wamrup. We are able to obtain 65.03% verified error on CIFAR-10 (epsilon=8{255}) and 82.36% verified error on TinyImageNet (epsilon=1{255}) using very short training schedules (160 and 80 total epochs, respectively), outperforming literature SOTA trained with hundreds or thousands epochs under the same network architecture. The code is available at https://github.com/shizhouxing/Fast-Certified-Robust-Training.

Transformer language models have made tremendous strides in natural language understanding tasks. However, the complexity of natural language makes it challenging to ascertain how accurately these models are tracking the world state underlying the text. Motivated by this issue, we consider the task of language modeling for the game of chess. Unlike natural language, chess notations describe a simple, constrained, and deterministic domain. Moreover, we observe that the appropriate choice of chess notation allows for directly probing the world state, without requiring any additional probing-related machinery. We find that: (a) With enough training data, transformer language models can learn to track pieces and predict legal moves with high accuracy when trained solely on move sequences. (b) For small training sets providing access to board state information during training can yield significant improvements. (c) The success of transformer language models is dependent on access to the entire game history i.e. "full attention". Approximating this full attention results in a significant performance drop. We propose this testbed as a benchmark for future work on the development and analysis of transformer language models.

Diffusion probabilistic models (DPMs) have exhibited excellent performance for high-fidelity image generation while suffering from inefficient sampling. Recent works accelerate the sampling procedure by proposing fast ODE solvers that leverage the specific ODE form of DPMs. However, they highly rely on specific parameterization during inference (such as noise/data prediction), which might not be the optimal choice. In this work, we propose a novel formulation towards the optimal parameterization during sampling that minimizes the first-order discretization error of the ODE solution. Based on such formulation, we propose DPM-Solver-v3, a new fast ODE solver for DPMs by introducing several coefficients efficiently computed on the pretrained model, which we call empirical model statistics. We further incorporate multistep methods and a predictor-corrector framework, and propose some techniques for improving sample quality at small numbers of function evaluations (NFE) or large guidance scales. Experiments show that DPM-Solver-v3 achieves consistently better or comparable performance in both unconditional and conditional sampling with both pixel-space and latent-space DPMs, especially in 5sim10 NFEs. We achieve FIDs of 12.21 (5 NFE), 2.51 (10 NFE) on unconditional CIFAR10, and MSE of 0.55 (5 NFE, 7.5 guidance scale) on Stable Diffusion, bringing a speed-up of 15\%sim30\% compared to previous state-of-the-art training-free methods. Code is available at https://github.com/thu-ml/DPM-Solver-v3.

Recent work proposed state-space models (SSMs) as an efficient alternative to transformer-based LLMs. Can these models be pruned to further reduce their computation costs? We adapt several pruning methods to the SSM structure, and apply them to four SSM-based LLMs across multiple tasks. We find that such models are quite robust to some pruning methods (e.g. WANDA), while using other methods lead to fast performance degradation.

The most fundamental capability of modern AI methods such as Large Language Models (LLMs) is the ability to predict the next token in a long sequence of tokens, known as ``sequence modeling." Although the Transformers model is the current dominant approach to sequence modeling, its quadratic computational cost with respect to sequence length is a significant drawback. State-space models (SSMs) offer a promising alternative due to their linear decoding efficiency and high parallelizability during training. However, existing SSMs often rely on seemingly ad hoc linear recurrence designs. In this work, we explore SSM design through the lens of online learning, conceptualizing SSMs as meta-modules for specific online learning problems. This approach links SSM design to formulating precise online learning objectives, with state transition rules derived from optimizing these objectives. Based on this insight, we introduce a novel deep SSM architecture based on the implicit update for optimizing an online regression objective. Our experimental results show that our models outperform state-of-the-art SSMs, including the Mamba model, on standard sequence modeling benchmarks and language modeling tasks.

State space models (SSM) have recently been shown to be very effective as a deep learning layer as a promising alternative to sequence models such as RNNs, CNNs, or Transformers. The first version to show this potential was the S4 model, which is particularly effective on tasks involving long-range dependencies by using a prescribed state matrix called the HiPPO matrix. While this has an interpretable mathematical mechanism for modeling long dependencies, it introduces a custom representation and algorithm that can be difficult to implement. On the other hand, a recent variant of S4 called DSS showed that restricting the state matrix to be fully diagonal can still preserve the performance of the original model when using a specific initialization based on approximating S4's matrix. This work seeks to systematically understand how to parameterize and initialize such diagonal state space models. While it follows from classical results that almost all SSMs have an equivalent diagonal form, we show that the initialization is critical for performance. We explain why DSS works mathematically, by showing that the diagonal restriction of S4's matrix surprisingly recovers the same kernel in the limit of infinite state dimension. We also systematically describe various design choices in parameterizing and computing diagonal SSMs, and perform a controlled empirical study ablating the effects of these choices. Our final model S4D is a simple diagonal version of S4 whose kernel computation requires just 2 lines of code and performs comparably to S4 in almost all settings, with state-of-the-art results for image, audio, and medical time-series domains, and averaging 85\% on the Long Range Arena benchmark.

State Space Models (SSMs) have become serious contenders in the field of sequential modeling, challenging the dominance of Transformers. At the same time, Mixture of Experts (MoE) has significantly improved Transformer-based LLMs, including recent state-of-the-art open-source models. We propose that to unlock the potential of SSMs for scaling, they should be combined with MoE. We showcase this on Mamba, a recent SSM-based model that achieves remarkable, Transformer-like performance. Our model, MoE-Mamba, outperforms both Mamba and Transformer-MoE. In particular, MoE-Mamba reaches the same performance as Mamba in 2.2x less training steps while preserving the inference performance gains of Mamba against the Transformer.

State space models (SSM) have been widely applied for the analysis and visualization of large sequential datasets. Sequential Monte Carlo (SMC) is a very popular particle-based method to sample latent states from intractable posteriors. However, SSM is significantly influenced by the choice of the proposal. Recently Hamiltonian Monte Carlo (HMC) sampling has shown success in many practical problems. In this paper, we propose an SMC augmented by HMC (HSMC) for inference and model learning of nonlinear SSM, which can exempt us from learning proposals and reduce the model complexity significantly. Based on the measure preserving property of HMC, the particles directly generated by transition function can approximate the posterior of latent states arbitrarily well. In order to better adapt to the local geometry of latent space, the HMC is conducted on Riemannian manifold defined by a positive definite metric. In addition, we show that the proposed HSMC method can improve SSMs realized by both Gaussian Processes (GP) and Neural Network (NN).

State Space Models (SSMs) have emerged as efficient alternatives to Transformers, mitigating their quadratic computational cost. However, the application of Parameter-Efficient Fine-Tuning (PEFT) methods to SSMs remains largely unexplored. In particular, prompt-based methods like Prompt Tuning and Prefix-Tuning, which are widely used in Transformers, do not perform well on SSMs. To address this, we propose state-based methods as a superior alternative to prompt-based methods. This new family of methods naturally stems from the architectural characteristics of SSMs. State-based methods adjust state-related features directly instead of depending on external prompts. Furthermore, we introduce a novel state-based PEFT method: State-offset Tuning. At every timestep, our method directly affects the state at the current step, leading to more effective adaptation. Through extensive experiments across diverse datasets, we demonstrate the effectiveness of our method. Code is available at https://github.com/furiosa-ai/ssm-state-tuning.

State-space models (SSMs) have emerged as a potential alternative architecture for building large language models (LLMs) compared to the previously ubiquitous transformer architecture. One theoretical weakness of transformers is that they cannot express certain kinds of sequential computation and state tracking (Merrill and Sabharwal, 2023), which SSMs are explicitly designed to address via their close architectural similarity to recurrent neural networks (RNNs). But do SSMs truly have an advantage (over transformers) in expressive power for state tracking? Surprisingly, the answer is no. Our analysis reveals that the expressive power of SSMs is limited very similarly to transformers: SSMs cannot express computation outside the complexity class TC^0. In particular, this means they cannot solve simple state-tracking problems like permutation composition. It follows that SSMs are provably unable to accurately track chess moves with certain notation, evaluate code, or track entities in a long narrative. To supplement our formal analysis, we report experiments showing that Mamba-style SSMs indeed struggle with state tracking. Thus, despite its recurrent formulation, the "state" in an SSM is an illusion: SSMs have similar expressiveness limitations to non-recurrent models like transformers, which may fundamentally limit their ability to solve real-world state-tracking problems.

Language models (LMs) are being scaled and becoming powerful. Improving their efficiency is one of the core research topics in neural information processing systems. Tay et al. (2022) provided a comprehensive overview of efficient Transformers that have become an indispensable staple in the field of NLP. However, in the section of "On Evaluation", they left an open question "which fundamental efficient Transformer one should consider," answered by "still a mystery" because "many research papers select their own benchmarks." Unfortunately, there was not quantitative analysis about the performances of Transformers on any benchmarks. Moreover, state space models (SSMs) have demonstrated their abilities of modeling long-range sequences with non-attention mechanisms, which were not discussed in the prior review. This article makes a meta analysis on the results from a set of papers on efficient Transformers as well as those on SSMs. It provides a quantitative review on LM efficiency research and gives suggestions for future research.

Trained machine learning models are increasingly used to perform high-impact tasks in areas such as law enforcement, medicine, education, and employment. In order to clarify the intended use cases of machine learning models and minimize their usage in contexts for which they are not well suited, we recommend that released models be accompanied by documentation detailing their performance characteristics. In this paper, we propose a framework that we call model cards, to encourage such transparent model reporting. Model cards are short documents accompanying trained machine learning models that provide benchmarked evaluation in a variety of conditions, such as across different cultural, demographic, or phenotypic groups (e.g., race, geographic location, sex, Fitzpatrick skin type) and intersectional groups (e.g., age and race, or sex and Fitzpatrick skin type) that are relevant to the intended application domains. Model cards also disclose the context in which models are intended to be used, details of the performance evaluation procedures, and other relevant information. While we focus primarily on human-centered machine learning models in the application fields of computer vision and natural language processing, this framework can be used to document any trained machine learning model. To solidify the concept, we provide cards for two supervised models: One trained to detect smiling faces in images, and one trained to detect toxic comments in text. We propose model cards as a step towards the responsible democratization of machine learning and related AI technology, increasing transparency into how well AI technology works. We hope this work encourages those releasing trained machine learning models to accompany model releases with similar detailed evaluation numbers and other relevant documentation.

This work explores the in-context learning capabilities of State Space Models (SSMs) and presents, to the best of our knowledge, the first theoretical explanation of a possible underlying mechanism. We introduce a novel weight construction for SSMs, enabling them to predict the next state of any dynamical system after observing previous states without parameter fine-tuning. This is accomplished by extending the HiPPO framework to demonstrate that continuous SSMs can approximate the derivative of any input signal. Specifically, we find an explicit weight construction for continuous SSMs and provide an asymptotic error bound on the derivative approximation. The discretization of this continuous SSM subsequently yields a discrete SSM that predicts the next state. Finally, we demonstrate the effectiveness of our parameterization empirically. This work should be an initial step toward understanding how sequence models based on SSMs learn in context.

The surprising ability of Large Language Models (LLMs) to perform well on complex reasoning with only few-shot chain-of-thought prompts is believed to emerge only in very large-scale models (100+ billion parameters). We show that such abilities can, in fact, be distilled down from GPT-3.5 (ge 175B) to T5 variants (le 11B). We propose model specialization, to specialize the model's ability towards a target task. The hypothesis is that large models (commonly viewed as larger than 100B) have strong modeling power, but are spread on a large spectrum of tasks. Small models (commonly viewed as smaller than 10B) have limited model capacity, but if we concentrate their capacity on a specific target task, the model can achieve a decent improved performance. We use multi-step math reasoning as our testbed because it is a very typical emergent ability. We show two important aspects of model abilities: (1). there exists a very complex balance/ tradeoff between language models' multi-dimensional abilities; (2). by paying the price of decreased generic ability, we can clearly lift up the scaling curve of models smaller than 10B towards a specialized multi-step math reasoning ability. We further give comprehensive discussions about important design choices for better generalization, including the tuning data format, the start model checkpoint, and a new model selection method. We hope our practice and discoveries can serve as an important attempt towards specialized smaller models in the new research paradigm set by LLMs.

Linear time-invariant state space models (SSM) are a classical model from engineering and statistics, that have recently been shown to be very promising in machine learning through the Structured State Space sequence model (S4). A core component of S4 involves initializing the SSM state matrix to a particular matrix called a HiPPO matrix, which was empirically important for S4's ability to handle long sequences. However, the specific matrix that S4 uses was actually derived in previous work for a particular time-varying dynamical system, and the use of this matrix as a time-invariant SSM had no known mathematical interpretation. Consequently, the theoretical mechanism by which S4 models long-range dependencies actually remains unexplained. We derive a more general and intuitive formulation of the HiPPO framework, which provides a simple mathematical interpretation of S4 as a decomposition onto exponentially-warped Legendre polynomials, explaining its ability to capture long dependencies. Our generalization introduces a theoretically rich class of SSMs that also lets us derive more intuitive S4 variants for other bases such as the Fourier basis, and explains other aspects of training S4, such as how to initialize the important timescale parameter. These insights improve S4's performance to 86% on the Long Range Arena benchmark, with 96% on the most difficult Path-X task.

World models are a fundamental component in model-based reinforcement learning (MBRL). To perform temporally extended and consistent simulations of the future in partially observable environments, world models need to possess long-term memory. However, state-of-the-art MBRL agents, such as Dreamer, predominantly employ recurrent neural networks (RNNs) as their world model backbone, which have limited memory capacity. In this paper, we seek to explore alternative world model backbones for improving long-term memory. In particular, we investigate the effectiveness of Transformers and Structured State Space Sequence (S4) models, motivated by their remarkable ability to capture long-range dependencies in low-dimensional sequences and their complementary strengths. We propose S4WM, the first world model compatible with parallelizable SSMs including S4 and its variants. By incorporating latent variable modeling, S4WM can efficiently generate high-dimensional image sequences through latent imagination. Furthermore, we extensively compare RNN-, Transformer-, and S4-based world models across four sets of environments, which we have tailored to assess crucial memory capabilities of world models, including long-term imagination, context-dependent recall, reward prediction, and memory-based reasoning. Our findings demonstrate that S4WM outperforms Transformer-based world models in terms of long-term memory, while exhibiting greater efficiency during training and imagination. These results pave the way for the development of stronger MBRL agents.

Recent work has shown that state space models such as Mamba are significantly worse than Transformers on recall-based tasks due to the fact that their state size is constant with respect to their input sequence length. But in practice, state space models have fairly large state sizes, and we conjecture that they should be able to perform much better at these tasks than previously reported. We investigate whether their poor copying and recall performance could be due in part to training difficulties rather than fundamental capacity constraints. Based on observations of their "attention" maps, we propose a structured initialization technique that allows state space layers to more readily mimic attention. Across a variety of architecture settings, our initialization makes it substantially easier for Mamba to learn to copy and do associative recall from scratch.

Scaling laws are typically fit using a family of models with a narrow range of frozen hyper-parameter choices. In this work we study scaling laws using a wide range of architecture and hyper-parameter choices, and highlight their impact on resulting prescriptions. As a primary artifact of our research, we release the Gemstones: the most comprehensive open-source scaling law dataset to date, consisting of over 4000 checkpoints from transformers with up to 2 billion parameters; these models have been trained with different learning rates, cooldown schedules, and architectural shapes. Our checkpoints enable more complex studies of scaling, such as a law that predicts language modeling performance as a function of model width and depth. By examining the various facets of our model suite, we find that the prescriptions of scaling laws can be highly sensitive to the experimental design process and the specific model checkpoints used during fitting. Code: https://github.com/mcleish7/gemstone-scaling-laws

The theory of open quantum systems lays the foundations for a substantial part of modern research in quantum science and engineering. Rooted in the dimensionality of their extended Hilbert spaces, the high computational complexity of simulating open quantum systems calls for the development of strategies to approximate their dynamics. In this paper, we present an approach for tackling open quantum system dynamics. Using an exact probabilistic formulation of quantum physics based on positive operator-valued measure (POVM), we compactly represent quantum states with autoregressive transformer neural networks; such networks bring significant algorithmic flexibility due to efficient exact sampling and tractable density. We further introduce the concept of String States to partially restore the symmetry of the autoregressive transformer neural network and improve the description of local correlations. Efficient algorithms have been developed to simulate the dynamics of the Liouvillian superoperator using a forward-backward trapezoid method and find the steady state via a variational formulation. Our approach is benchmarked on prototypical one and two-dimensional systems, finding results which closely track the exact solution and achieve higher accuracy than alternative approaches based on using Markov chain Monte Carlo to sample restricted Boltzmann machines. Our work provides general methods for understanding quantum dynamics in various contexts, as well as techniques for solving high-dimensional probabilistic differential equations in classical setups.

State-space models (SSMs) provide a flexible framework for modelling time-series data. Consequently, SSMs are ubiquitously applied in areas such as engineering, econometrics and epidemiology. In this paper we provide a fast approach for approximate Bayesian inference in SSMs using the tools of deep learning and variational inference.

The Mamba layer offers an efficient selective state space model (SSM) that is highly effective in modeling multiple domains including NLP, long-range sequences processing, and computer vision. Selective SSMs are viewed as dual models, in which one trains in parallel on the entire sequence via IO-aware parallel scan, and deploys in an autoregressive manner. We add a third view and show that such models can be viewed as attention-driven models. This new perspective enables us to compare the underlying mechanisms to that of the self-attention layers in transformers and allows us to peer inside the inner workings of the Mamba model with explainability methods. Our code is publicly available.

Structured state-space models (SSMs) such as S4, stemming from the seminal work of Gu et al., are gaining popularity as effective approaches for modeling sequential data. Deep SSMs demonstrate outstanding performance across a diverse set of domains, at a reduced training and inference cost compared to attention-based transformers. Recent developments show that if the linear recurrence powering SSMs allows for multiplicative interactions between inputs and hidden states (e.g. GateLoop, Mamba, GLA), then the resulting architecture can surpass in both in accuracy and efficiency attention-powered foundation models trained on text, at scales of billion parameters. In this paper, we give theoretical grounding to this recent finding using tools from Rough Path Theory: we show that when random linear recurrences are equipped with simple input-controlled transitions (selectivity mechanism), then the hidden state is provably a low-dimensional projection of a powerful mathematical object called the signature of the input -- capturing non-linear interactions between tokens at distinct timescales. Our theory not only motivates the success of modern selective state-space models such as Mamba but also provides a solid framework to understand the expressive power of future SSM variants.

The ubiquity of large-scale Pre-Trained Models (PTMs) is on the rise, sparking interest in model hubs, and dedicated platforms for hosting PTMs. Despite this trend, a comprehensive exploration of the challenges that users encounter and how the community leverages PTMs remains lacking. To address this gap, we conducted an extensive mixed-methods empirical study by focusing on discussion forums and the model hub of HuggingFace, the largest public model hub. Based on our qualitative analysis, we present a taxonomy of the challenges and benefits associated with PTM reuse within this community. We then conduct a quantitative study to track model-type trends and model documentation evolution over time. Our findings highlight prevalent challenges such as limited guidance for beginner users, struggles with model output comprehensibility in training or inference, and a lack of model understanding. We also identified interesting trends among models where some models maintain high upload rates despite a decline in topics related to them. Additionally, we found that despite the introduction of model documentation tools, its quantity has not increased over time, leading to difficulties in model comprehension and selection among users. Our study sheds light on new challenges in reusing PTMs that were not reported before and we provide recommendations for various stakeholders involved in PTM reuse.

The deployment of ever-larger machine learning models reflects a growing consensus that the more expressive the modelx2013and the more data one has access tox2013the more one can improve performance. As models get deployed in a variety of real world scenarios, they inevitably face strategic environments. In this work, we consider the natural question of how the interplay of models and strategic interactions affects scaling laws. We find that strategic interactions can break the conventional view of scaling lawsx2013meaning that performance does not necessarily monotonically improve as models get larger and/ or more expressive (even with infinite data). We show the implications of this phenomenon in several contexts including strategic regression, strategic classification, and multi-agent reinforcement learning through examples of strategic environments in whichx2013by simply restricting the expressivity of one's model or policy classx2013one can achieve strictly better equilibrium outcomes. Motivated by these examples, we then propose a new paradigm for model-selection in games wherein an agent seeks to choose amongst different model classes to use as their action set in a game.

We present a novel Transformer-based multi-agent system for simulating the judicial rulings of the 2010-2016 Supreme Court of the United States. We train nine separate models with the respective authored opinions of each supreme justice active ca. 2015 and test the resulting system on 96 real-world cases. We find our system predicts the decisions of the real-world Supreme Court with better-than-random accuracy. We further find a correlation between model accuracy with respect to individual justices and their alignment between legal conservatism & liberalism. Our methods and results hold significance for researchers interested in using language models to simulate politically-charged discourse between multiple agents.

Mathematical modeling involves representing real-world phenomena, systems, or problems using mathematical expressions and equations to analyze, understand, and predict their behavior. Given that this process typically requires experienced experts, there is an interest in exploring whether Large Language Models (LLMs) can undertake mathematical modeling to potentially decrease human labor. To evaluate of LLMs in mathematical modeling, we introduce a new benchmark, Mamo, that transcends traditional result-oriented assessments. Unlike conventional methods that primarily assess LLMs based on the accuracy of solutions to mathematical problems, our approach offers deeper insight into the modeling process itself. By focusing on the processes LLMs undertake rather than the correctness of their final solutions, Mamo pioneers a novel evaluation paradigm. This shift underscores the importance of understanding the inherent modeling capabilities of LLMs, paving the way for a more nuanced and comprehensive analysis of their problem-solving strategies. Our work marks a significant advancement in the field, suggesting a new direction for future research by emphasizing the evaluation of LLMs' modeling processes over the mere correctness of answers. This benchmark not only facilitates a better understanding of LLMs' mathematical modeling capabilities but also sets a new standard for evaluating their performance in complex problem-solving scenarios.

While Transformers have been the main architecture behind deep learning's success in language modeling, state-space models (SSMs) such as Mamba have recently been shown to match or outperform Transformers at small to medium scale. We show that these families of models are actually quite closely related, and develop a rich framework of theoretical connections between SSMs and variants of attention, connected through various decompositions of a well-studied class of structured semiseparable matrices. Our state space duality (SSD) framework allows us to design a new architecture (Mamba-2) whose core layer is an a refinement of Mamba's selective SSM that is 2-8X faster, while continuing to be competitive with Transformers on language modeling.

Large Language Models (LLMs) have demonstrated human-like instruction-following abilities, particularly those exceeding 100 billion parameters. The combined capability of some smaller, resource-friendly LLMs can address most of the instructions that larger LLMs excel at. In this work, we explore how to route the best-performing LLM for each instruction to achieve better overall performance. We develop a new paradigm, constructing capability instructions with model capability representation, user instruction, and performance inquiry prompts to assess the performance. To learn from capability instructions, we introduce a new end-to-end framework called Model Selection with Aptitude Test (Model-SAT), which generates positive and negative samples based on what different models perform well or struggle with. Model-SAT uses a model capability encoder that extends its model representation to a lightweight LLM. Our experiments show that Model-SAT understands the performance dimensions of candidate models and provides the probabilities of their capability to handle various instructions. Additionally, during deployment, a new model can quickly infer its aptitude test results across 50 tasks, each with 20 shots. Model-SAT performs state-of-the-art model routing without candidate inference and in real-world new model-released scenarios. The code is available at https://github.com/Now-Join-Us/CIT-LLM-Routing

Model-based reinforcement learning promises to learn an optimal policy from fewer interactions with the environment compared to model-free reinforcement learning by learning an intermediate model of the environment in order to predict future interactions. When predicting a sequence of interactions, the rollout length, which limits the prediction horizon, is a critical hyperparameter as accuracy of the predictions diminishes in the regions that are further away from real experience. As a result, with a longer rollout length, an overall worse policy is learned in the long run. Thus, the hyperparameter provides a trade-off between quality and efficiency. In this work, we frame the problem of tuning the rollout length as a meta-level sequential decision-making problem that optimizes the final policy learned by model-based reinforcement learning given a fixed budget of environment interactions by adapting the hyperparameter dynamically based on feedback from the learning process, such as accuracy of the model and the remaining budget of interactions. We use model-free deep reinforcement learning to solve the meta-level decision problem and demonstrate that our approach outperforms common heuristic baselines on two well-known reinforcement learning environments.

Large Language Models (LLMs) have made significant progress in advancing artificial general intelligence (AGI), leading to the development of increasingly large models such as GPT-4 and LLaMA-405B. However, scaling up model sizes results in exponentially higher computational costs and energy consumption, making these models impractical for academic researchers and businesses with limited resources. At the same time, Small Models (SMs) are frequently used in practical settings, although their significance is currently underestimated. This raises important questions about the role of small models in the era of LLMs, a topic that has received limited attention in prior research. In this work, we systematically examine the relationship between LLMs and SMs from two key perspectives: Collaboration and Competition. We hope this survey provides valuable insights for practitioners, fostering a deeper understanding of the contribution of small models and promoting more efficient use of computational resources. The code is available at https://github.com/tigerchen52/role_of_small_models

AI is undergoing a paradigm shift with the rise of models (e.g., BERT, DALL-E, GPT-3) that are trained on broad data at scale and are adaptable to a wide range of downstream tasks. We call these models foundation models to underscore their critically central yet incomplete character. This report provides a thorough account of the opportunities and risks of foundation models, ranging from their capabilities (e.g., language, vision, robotics, reasoning, human interaction) and technical principles(e.g., model architectures, training procedures, data, systems, security, evaluation, theory) to their applications (e.g., law, healthcare, education) and societal impact (e.g., inequity, misuse, economic and environmental impact, legal and ethical considerations). Though foundation models are based on standard deep learning and transfer learning, their scale results in new emergent capabilities,and their effectiveness across so many tasks incentivizes homogenization. Homogenization provides powerful leverage but demands caution, as the defects of the foundation model are inherited by all the adapted models downstream. Despite the impending widespread deployment of foundation models, we currently lack a clear understanding of how they work, when they fail, and what they are even capable of due to their emergent properties. To tackle these questions, we believe much of the critical research on foundation models will require deep interdisciplinary collaboration commensurate with their fundamentally sociotechnical nature.

While prior work has explored whether large language models (LLMs) possess a "theory of mind" (ToM) - the ability to attribute mental states to oneself and others - there has been little work testing whether LLMs can implicitly apply such knowledge to predict behavior, or to judge whether an observed behavior is rational. Such skills are critical for appropriate interaction in social environments. We create a new dataset, SimpleTom, containing concise, diverse stories (e.g., "The can of Pringles has moldy chips in it. Mary picks up the can in the supermarket and walks to the cashier."), each with three questions that test different degrees of ToM reasoning, asking models to predict (a) mental state ("Is Mary aware of the mold?"), (b) behavior ("Will Mary pay for the chips or report the mold?"), and (c) judgment ("Mary paid for the chips. Was that reasonable?"). To our knowledge, SimpleToM is the first dataset to systematically explore downstream reasoning requiring knowledge of mental states in realistic scenarios. Our experimental results are intriguing: While most models can reliably predict mental state on our dataset (a), they often fail to correctly predict the behavior (b), and fare even worse at judging whether given behaviors are reasonable (c), despite being correctly aware of the protagonist's mental state should make such secondary predictions obvious. We further show that we can help models do better at (b) and (c) via interventions such as reminding the model of its earlier mental state answer and mental-state-specific chain-of-thought prompting, raising the action prediction accuracies (e.g., from 49.5% to 93.5% for GPT-4o) and judgment accuracies (e.g., from 15.3% to 94.7% in GPT-4o). While this shows that models can be coaxed to perform well, it requires task-specific interventions, and the natural model performances remain low, a cautionary tale for LLM deployment.

A World Model is a generative model used to simulate an environment. World Models have proven capable of learning spatial and temporal representations of Reinforcement Learning environments. In some cases, a World Model offers an agent the opportunity to learn entirely inside of its own dream environment. In this work we explore improving the generalization capabilities from dream environments to real environments (Dream2Real). We present a general approach to improve a controller's ability to transfer from a neural network dream environment to reality at little additional cost. These improvements are gained by drawing on inspiration from Domain Randomization, where the basic idea is to randomize as much of a simulator as possible without fundamentally changing the task at hand. Generally, Domain Randomization assumes access to a pre-built simulator with configurable parameters but oftentimes this is not available. By training the World Model using dropout, the dream environment is capable of creating a nearly infinite number of different dream environments. Previous use cases of dropout either do not use dropout at inference time or averages the predictions generated by multiple sampled masks (Monte-Carlo Dropout). Dropout's Dream Land leverages each unique mask to create a diverse set of dream environments. Our experimental results show that Dropout's Dream Land is an effective technique to bridge the reality gap between dream environments and reality. Furthermore, we additionally perform an extensive set of ablation studies.

State space models (SSMs) have shown remarkable empirical performance on many long sequence modeling tasks, but a theoretical understanding of these models is still lacking. In this work, we study the learning dynamics of linear SSMs to understand how covariance structure in data, latent state size, and initialization affect the evolution of parameters throughout learning with gradient descent. We show that focusing on the learning dynamics in the frequency domain affords analytical solutions under mild assumptions, and we establish a link between one-dimensional SSMs and the dynamics of deep linear feed-forward networks. Finally, we analyze how latent state over-parameterization affects convergence time and describe future work in extending our results to the study of deep SSMs with nonlinear connections. This work is a step toward a theory of learning dynamics in deep state space models.

A key component of model-based reinforcement learning (RL) is a dynamics model that predicts the outcomes of actions. Errors in this predictive model can degrade the performance of model-based controllers, and complex Markov decision processes (MDPs) can present exceptionally difficult prediction problems. To mitigate this issue, we propose predictable MDP abstraction (PMA): instead of training a predictive model on the original MDP, we train a model on a transformed MDP with a learned action space that only permits predictable, easy-to-model actions, while covering the original state-action space as much as possible. As a result, model learning becomes easier and more accurate, which allows robust, stable model-based planning or model-based RL. This transformation is learned in an unsupervised manner, before any task is specified by the user. Downstream tasks can then be solved with model-based control in a zero-shot fashion, without additional environment interactions. We theoretically analyze PMA and empirically demonstrate that PMA leads to significant improvements over prior unsupervised model-based RL approaches in a range of benchmark environments. Our code and videos are available at https://seohong.me/projects/pma/

Xmodel-2 is a 1.2-billion-parameter large language model designed specifically for reasoning tasks. Its architecture enables different model scales to share a unified set of hyperparameters, allowing for extensive experimentation on smaller models and seamless transfer of optimal configurations to larger models. To maximize training efficiency and stability, Xmodel-2 employs the WSD learning rate scheduler from MiniCPM. Pretrained on 1.5 trillion tokens from diverse sources, Xmodel-2 achieves state-of-the-art performance in complex reasoning and agent-based tasks, while maintaining low training costs. These results highlight the potential of efficient model design and training strategies in advancing reasoning capabilities. Model checkpoints and code are publicly available on GitHub at https://github.com/XiaoduoAILab/Xmodel-2

In this paper, we investigate the long-term memory learning capabilities of state-space models (SSMs) from the perspective of parameterization. We prove that state-space models without any reparameterization exhibit a memory limitation similar to that of traditional RNNs: the target relationships that can be stably approximated by state-space models must have an exponential decaying memory. Our analysis identifies this "curse of memory" as a result of the recurrent weights converging to a stability boundary, suggesting that a reparameterization technique can be effective. To this end, we introduce a class of reparameterization techniques for SSMs that effectively lift its memory limitations. Besides improving approximation capabilities, we further illustrate that a principled choice of reparameterization scheme can also enhance optimization stability. We validate our findings using synthetic datasets and language models.

Models using structured state space sequence (S4) layers have achieved state-of-the-art performance on long-range sequence modeling tasks. An S4 layer combines linear state space models (SSMs), the HiPPO framework, and deep learning to achieve high performance. We build on the design of the S4 layer and introduce a new state space layer, the S5 layer. Whereas an S4 layer uses many independent single-input, single-output SSMs, the S5 layer uses one multi-input, multi-output SSM. We establish a connection between S5 and S4, and use this to develop the initialization and parameterization used by the S5 model. The result is a state space layer that can leverage efficient and widely implemented parallel scans, allowing S5 to match the computational efficiency of S4, while also achieving state-of-the-art performance on several long-range sequence modeling tasks. S5 averages 87.4% on the long range arena benchmark, and 98.5% on the most difficult Path-X task.

One of the predominant methods for training world models is autoregressive prediction in the output space of the next element of a sequence. In Natural Language Processing (NLP), this takes the form of Large Language Models (LLMs) predicting the next token; in Computer Vision (CV), this takes the form of autoregressive models predicting the next frame/token/pixel. However, this approach differs from human cognition in several respects. First, human predictions about the future actively influence internal cognitive processes. Second, humans naturally evaluate the plausibility of predictions regarding future states. Based on this capability, and third, by assessing when predictions are sufficient, humans allocate a dynamic amount of time to make a prediction. This adaptive process is analogous to System 2 thinking in psychology. All these capabilities are fundamental to the success of humans at high-level reasoning and planning. Therefore, to address the limitations of traditional autoregressive models lacking these human-like capabilities, we introduce Energy-Based World Models (EBWM). EBWM involves training an Energy-Based Model (EBM) to predict the compatibility of a given context and a predicted future state. In doing so, EBWM enables models to achieve all three facets of human cognition described. Moreover, we developed a variant of the traditional autoregressive transformer tailored for Energy-Based models, termed the Energy-Based Transformer (EBT). Our results demonstrate that EBWM scales better with data and GPU Hours than traditional autoregressive transformers in CV, and that EBWM offers promising early scaling in NLP. Consequently, this approach offers an exciting path toward training future models capable of System 2 thinking and intelligently searching across state spaces.

Climate models have been key for assessing the impact of climate change and simulating future climate scenarios. The machine learning (ML) community has taken an increased interest in supporting climate scientists' efforts on various tasks such as climate model emulation, downscaling, and prediction tasks. Many of those tasks have been addressed on datasets created with single climate models. However, both the climate science and ML communities have suggested that to address those tasks at scale, we need large, consistent, and ML-ready climate model datasets. Here, we introduce ClimateSet, a dataset containing the inputs and outputs of 36 climate models from the Input4MIPs and CMIP6 archives. In addition, we provide a modular dataset pipeline for retrieving and preprocessing additional climate models and scenarios. We showcase the potential of our dataset by using it as a benchmark for ML-based climate model emulation. We gain new insights about the performance and generalization capabilities of the different ML models by analyzing their performance across different climate models. Furthermore, the dataset can be used to train an ML emulator on several climate models instead of just one. Such a "super emulator" can quickly project new climate change scenarios, complementing existing scenarios already provided to policymakers. We believe ClimateSet will create the basis needed for the ML community to tackle climate-related tasks at scale.

Model-based reinforcement learning agents utilizing transformers have shown improved sample efficiency due to their ability to model extended context, resulting in more accurate world models. However, for complex reasoning and planning tasks, these methods primarily rely on continuous representations. This complicates modeling of discrete properties of the real world such as disjoint object classes between which interpolation is not plausible. In this work, we introduce discrete abstract representations for transformer-based learning (DART), a sample-efficient method utilizing discrete representations for modeling both the world and learning behavior. We incorporate a transformer-decoder for auto-regressive world modeling and a transformer-encoder for learning behavior by attending to task-relevant cues in the discrete representation of the world model. For handling partial observability, we aggregate information from past time steps as memory tokens. DART outperforms previous state-of-the-art methods that do not use look-ahead search on the Atari 100k sample efficiency benchmark with a median human-normalized score of 0.790 and beats humans in 9 out of 26 games. We release our code at https://pranaval.github.io/DART/.

Model-based reinforcement learning (RL) often achieves higher sample efficiency in practice than model-free RL by learning a dynamics model to generate samples for policy learning. Previous works learn a dynamics model that fits under the empirical state-action visitation distribution for all historical policies, i.e., the sample replay buffer. However, in this paper, we observe that fitting the dynamics model under the distribution for all historical policies does not necessarily benefit model prediction for the current policy since the policy in use is constantly evolving over time. The evolving policy during training will cause state-action visitation distribution shifts. We theoretically analyze how this distribution shift over historical policies affects the model learning and model rollouts. We then propose a novel dynamics model learning method, named Policy-adapted Dynamics Model Learning (PDML). PDML dynamically adjusts the historical policy mixture distribution to ensure the learned model can continually adapt to the state-action visitation distribution of the evolving policy. Experiments on a range of continuous control environments in MuJoCo show that PDML achieves significant improvement in sample efficiency and higher asymptotic performance combined with the state-of-the-art model-based RL methods.

Effective planning in model-based reinforcement learning (MBRL) and model-predictive control (MPC) relies on the accuracy of the learned dynamics model. In many instances of MBRL and MPC, this model is assumed to be stationary and is periodically re-trained from scratch on state transition experience collected from the beginning of environment interactions. This implies that the time required to train the dynamics model - and the pause required between plan executions - grows linearly with the size of the collected experience. We argue that this is too slow for lifelong robot learning and propose HyperCRL, a method that continually learns the encountered dynamics in a sequence of tasks using task-conditional hypernetworks. Our method has three main attributes: first, it includes dynamics learning sessions that do not revisit training data from previous tasks, so it only needs to store the most recent fixed-size portion of the state transition experience; second, it uses fixed-capacity hypernetworks to represent non-stationary and task-aware dynamics; third, it outperforms existing continual learning alternatives that rely on fixed-capacity networks, and does competitively with baselines that remember an ever increasing coreset of past experience. We show that HyperCRL is effective in continual model-based reinforcement learning in robot locomotion and manipulation scenarios, such as tasks involving pushing and door opening. Our project website with videos is at this link https://rvl.cs.toronto.edu/blog/2020/hypercrl

Generative models are a class of machine learning models that aim to learn the underlying probability distribution of data. Unlike discriminative models, generative models focus on capturing the data's inherent structure, allowing them to generate new samples that resemble the original data. To fully exploit the potential of modeling probability distributions using quantum physics, a quantum-inspired generative model known as the Born machines have shown great advancements in learning classical and quantum data over matrix product state(MPS) framework. The Born machines support tractable log-likelihood, autoregressive and mask sampling, and have shown outstanding performance in various unsupervised learning tasks. However, much of the current research has been centered on improving the expressive power of MPS, predominantly embedding each token directly by a corresponding tensor index. In this study, we generalize the embedding method into trainable quantum measurement operators that can be simultaneously honed with MPS. Our study indicated that combined with trainable embedding, Born machines can exhibit better performance and learn deeper correlations from the dataset.

In Retrieval-Augmented Generation (RAG) and agent-based frameworks, the "Chain of Models" approach is widely used, where multiple specialized models work sequentially on distinct sub-tasks. This approach is effective but increases resource demands as each model must be deployed separately. Recent advancements attempt to address this by applying prompt tuning, which allows a shared base model to adapt to multiple tasks with minimal parameter changes. However, a key challenge remains: intermediate outputs, passed between models as plain text, require recomputation of hidden states (i.e., Key and Value (KV) states in Transformers) during inference. In this paper, we introduce FTHSS, a novel prompt-tuning method that enables models to share KV hidden states, eliminating redundant forward passes and reducing KV cache storage. By modifying input and attention masks during training, FTHSS allows models to effectively utilize KV hidden states from prior models in both single- and multi-round scenarios. Empirical results on four tasks show that FTHSS matches the performance of traditional model chains while improving inference efficiency.

The emergence of large-scale multi-modal generative models has drastically advanced artificial intelligence, introducing unprecedented levels of performance and functionality. However, optimizing these models remains challenging due to historically isolated paths of model-centric and data-centric developments, leading to suboptimal outcomes and inefficient resource utilization. In response, we present a novel sandbox suite tailored for integrated data-model co-development. This sandbox provides a comprehensive experimental platform, enabling rapid iteration and insight-driven refinement of both data and models. Our proposed "Probe-Analyze-Refine" workflow, validated through applications on state-of-the-art LLaVA-like and DiT based models, yields significant performance boosts, such as topping the VBench leaderboard. We also uncover fruitful insights gleaned from exhaustive benchmarks, shedding light on the critical interplay between data quality, diversity, and model behavior. With the hope of fostering deeper understanding and future progress in multi-modal data and generative modeling, our codes, datasets, and models are maintained and accessible at https://github.com/modelscope/data-juicer/blob/main/docs/Sandbox.md.

Recent progress in using machine learning models for reasoning tasks has been driven by novel model architectures, large-scale pre-training protocols, and dedicated reasoning datasets for fine-tuning. In this work, to further pursue these advances, we introduce a new data generator for machine reasoning that integrates with an embodied agent. The generated data consists of templated text queries and answers, matched with world-states encoded into a database. The world-states are a result of both world dynamics and the actions of the agent. We show the results of several baseline models on instantiations of train sets. These include pre-trained language models fine-tuned on a text-formatted representation of the database, and graph-structured Transformers operating on a knowledge-graph representation of the database. We find that these models can answer some questions about the world-state, but struggle with others. These results hint at new research directions in designing neural reasoning models and database representations. Code to generate the data will be released at github.com/facebookresearch/neuralmemory

Large pretrained (e.g., "foundation") models exhibit distinct capabilities depending on the domain of data they are trained on. While these domains are generic, they may only barely overlap. For example, visual-language models (VLMs) are trained on Internet-scale image captions, but large language models (LMs) are further trained on Internet-scale text with no images (e.g., spreadsheets, SAT questions, code). As a result, these models store different forms of commonsense knowledge across different domains. In this work, we show that this diversity is symbiotic, and can be leveraged through Socratic Models (SMs): a modular framework in which multiple pretrained models may be composed zero-shot i.e., via multimodal-informed prompting, to exchange information with each other and capture new multimodal capabilities, without requiring finetuning. With minimal engineering, SMs are not only competitive with state-of-the-art zero-shot image captioning and video-to-text retrieval, but also enable new applications such as (i) answering free-form questions about egocentric video, (ii) engaging in multimodal assistive dialogue with people (e.g., for cooking recipes) by interfacing with external APIs and databases (e.g., web search), and (iii) robot perception and planning.

This paper describes pi2vec, a method for representing behaviors of black box policies as feature vectors. The policy representations capture how the statistics of foundation model features change in response to the policy behavior in a task agnostic way, and can be trained from offline data, allowing them to be used in offline policy selection. This work provides a key piece of a recipe for fusing together three modern lines of research: Offline policy evaluation as a counterpart to offline RL, foundation models as generic and powerful state representations, and efficient policy selection in resource constrained environments.

While large language models perform well on a range of complex tasks (e.g., text generation, question answering, summarization), robust multi-step planning and reasoning remains a considerable challenge for them. In this paper we show that search-based planning can significantly improve LLMs' playing strength across several board games (Chess, Fischer Random / Chess960, Connect Four, and Hex). We introduce, compare and contrast two major approaches: In external search, the model guides Monte Carlo Tree Search (MCTS) rollouts and evaluations without calls to an external engine, and in internal search, the model directly generates in-context a linearized tree of potential futures and a resulting final choice. Both build on a language model pre-trained on relevant domain knowledge, capturing the transition and value functions across these games. We find that our pre-training method minimizes hallucinations, as our model is highly accurate regarding state prediction and legal moves. Additionally, both internal and external search indeed improve win-rates against state-of-the-art bots, even reaching Grandmaster-level performance in chess while operating on a similar move count search budget per decision as human Grandmasters. The way we combine search with domain knowledge is not specific to board games, suggesting direct extensions into more general language model inference and training techniques.

We introduce Masked Trajectory Models (MTM) as a generic abstraction for sequential decision making. MTM takes a trajectory, such as a state-action sequence, and aims to reconstruct the trajectory conditioned on random subsets of the same trajectory. By training with a highly randomized masking pattern, MTM learns versatile networks that can take on different roles or capabilities, by simply choosing appropriate masks at inference time. For example, the same MTM network can be used as a forward dynamics model, inverse dynamics model, or even an offline RL agent. Through extensive experiments in several continuous control tasks, we show that the same MTM network -- i.e. same weights -- can match or outperform specialized networks trained for the aforementioned capabilities. Additionally, we find that state representations learned by MTM can significantly accelerate the learning speed of traditional RL algorithms. Finally, in offline RL benchmarks, we find that MTM is competitive with specialized offline RL algorithms, despite MTM being a generic self-supervised learning method without any explicit RL components. Code is available at https://github.com/facebookresearch/mtm

Current model-based reinforcement learning (MBRL) agents struggle with long-term dependencies. This limits their ability to effectively solve tasks involving extended time gaps between actions and outcomes, or tasks demanding the recalling of distant observations to inform current actions. To improve temporal coherence, we integrate a new family of state space models (SSMs) in world models of MBRL agents to present a new method, Recall to Imagine (R2I). This integration aims to enhance both long-term memory and long-horizon credit assignment. Through a diverse set of illustrative tasks, we systematically demonstrate that R2I not only establishes a new state-of-the-art for challenging memory and credit assignment RL tasks, such as BSuite and POPGym, but also showcases superhuman performance in the complex memory domain of Memory Maze. At the same time, it upholds comparable performance in classic RL tasks, such as Atari and DMC, suggesting the generality of our method. We also show that R2I is faster than the state-of-the-art MBRL method, DreamerV3, resulting in faster wall-time convergence.

Large language models are powerful systems that excel at many tasks, ranging from translation to mathematical reasoning. Yet, at the same time, these models often show unhuman-like characteristics. In the present paper, we address this gap and ask whether large language models can be turned into cognitive models. We find that -- after finetuning them on data from psychological experiments -- these models offer accurate representations of human behavior, even outperforming traditional cognitive models in two decision-making domains. In addition, we show that their representations contain the information necessary to model behavior on the level of individual subjects. Finally, we demonstrate that finetuning on multiple tasks enables large language models to predict human behavior in a previously unseen task. Taken together, these results suggest that large, pre-trained models can be adapted to become generalist cognitive models, thereby opening up new research directions that could transform cognitive psychology and the behavioral sciences as a whole.

As AI model size grows, neural scaling laws have become a crucial tool to predict the improvements of large models when increasing capacity and the size of original (human or natural) training data. Yet, the widespread use of popular models means that the ecosystem of online data and text will co-evolve to progressively contain increased amounts of synthesized data. In this paper we ask: How will the scaling laws change in the inevitable regime where synthetic data makes its way into the training corpus? Will future models, still improve, or be doomed to degenerate up to total (model) collapse? We develop a theoretical framework of model collapse through the lens of scaling laws. We discover a wide range of decay phenomena, analyzing loss of scaling, shifted scaling with number of generations, the ''un-learning" of skills, and grokking when mixing human and synthesized data. Our theory is validated by large-scale experiments with a transformer on an arithmetic task and text generation using the large language model Llama2.

Intelligent agents must be generalists - showing the ability to quickly adapt and generalize to varying tasks. Within the framework of reinforcement learning (RL), model-based RL algorithms learn a task-agnostic dynamics model of the world, in principle allowing them to generalize to arbitrary rewards. However, one-step models naturally suffer from compounding errors, making them ineffective for problems with long horizons and large state spaces. In this work, we propose a novel class of models - generalized occupancy models (GOMs) - that retain the generality of model-based RL while avoiding compounding error. The key idea behind GOMs is to model the distribution of all possible long-term outcomes from a given state under the coverage of a stationary dataset, along with a policy that realizes a particular outcome from the given state. These models can then quickly be used to select the optimal action for arbitrary new tasks, without having to redo policy optimization. By directly modeling long-term outcomes, GOMs avoid compounding error while retaining generality across arbitrary reward functions. We provide a practical instantiation of GOMs using diffusion models and show its efficacy as a new class of transferable models, both theoretically and empirically across a variety of simulated robotics problems. Videos and code at https://weirdlabuw.github.io/gom/.

Large Language Models (LLMs) are often described as being instances of foundation models - that is, models that transfer strongly across various tasks and conditions in few-show or zero-shot manner, while exhibiting scaling laws that predict function improvement when increasing the pre-training scale. These claims of excelling in different functions and tasks rely on measurements taken across various sets of standardized benchmarks showing high scores for such models. We demonstrate here a dramatic breakdown of function and reasoning capabilities of state-of-the-art models trained at the largest available scales which claim strong function, using a simple, short, conventional common sense problem formulated in concise natural language, easily solvable by humans. The breakdown is dramatic, as models also express strong overconfidence in their wrong solutions, while providing often non-sensical "reasoning"-like explanations akin to confabulations to justify and backup the validity of their clearly failed responses, making them sound plausible. Various standard interventions in an attempt to get the right solution, like various type of enhanced prompting, or urging the models to reconsider the wrong solutions again by multi step re-evaluation, fail. We take these initial observations to the scientific and technological community to stimulate urgent re-assessment of the claimed capabilities of current generation of LLMs, Such re-assessment also requires common action to create standardized benchmarks that would allow proper detection of such basic reasoning deficits that obviously manage to remain undiscovered by current state-of-the-art evaluation procedures and benchmarks. Code for reproducing experiments in the paper and raw experiments data can be found at https://github.com/LAION-AI/AIW

Markov jump processes are continuous-time stochastic processes which describe dynamical systems evolving in discrete state spaces. These processes find wide application in the natural sciences and machine learning, but their inference is known to be far from trivial. In this work we introduce a methodology for zero-shot inference of Markov jump processes (MJPs), on bounded state spaces, from noisy and sparse observations, which consists of two components. First, a broad probability distribution over families of MJPs, as well as over possible observation times and noise mechanisms, with which we simulate a synthetic dataset of hidden MJPs and their noisy observation process. Second, a neural network model that processes subsets of the simulated observations, and that is trained to output the initial condition and rate matrix of the target MJP in a supervised way. We empirically demonstrate that one and the same (pretrained) model can infer, in a zero-shot fashion, hidden MJPs evolving in state spaces of different dimensionalities. Specifically, we infer MJPs which describe (i) discrete flashing ratchet systems, which are a type of Brownian motors, and the conformational dynamics in (ii) molecular simulations, (iii) experimental ion channel data and (iv) simple protein folding models. What is more, we show that our model performs on par with state-of-the-art models which are finetuned to the target datasets.

Selective state space models (SSM), such as Mamba, have gained prominence for their effectiveness in modeling sequential data. Despite their outstanding empirical performance, a comprehensive theoretical understanding of deep selective SSM remains elusive, hindering their further development and adoption for applications that need high fidelity. In this paper, we investigate the dynamical properties of tokens in a pre-trained Mamba model. In particular, we derive the dynamical system governing the continuous-time limit of the Mamba model and characterize the asymptotic behavior of its solutions. In the one-dimensional case, we prove that only one of the following two scenarios happens: either all tokens converge to zero, or all tokens diverge to infinity. We provide criteria based on model parameters to determine when each scenario occurs. For the convergent scenario, we empirically verify that this scenario negatively impacts the model's performance. For the divergent scenario, we prove that different tokens will diverge to infinity at different rates, thereby contributing unequally to the updates during model training. Based on these investigations, we propose two refinements for the model: excluding the convergent scenario and reordering tokens based on their importance scores, both aimed at improving practical performance. Our experimental results validate these refinements, offering insights into enhancing Mamba's effectiveness in real-world applications.

Language models demonstrate both quantitative improvement and new qualitative capabilities with increasing scale. Despite their potentially transformative impact, these new capabilities are as yet poorly characterized. In order to inform future research, prepare for disruptive new model capabilities, and ameliorate socially harmful effects, it is vital that we understand the present and near-future capabilities and limitations of language models. To address this challenge, we introduce the Beyond the Imitation Game benchmark (BIG-bench). BIG-bench currently consists of 204 tasks, contributed by 442 authors across 132 institutions. Task topics are diverse, drawing problems from linguistics, childhood development, math, common-sense reasoning, biology, physics, social bias, software development, and beyond. BIG-bench focuses on tasks that are believed to be beyond the capabilities of current language models. We evaluate the behavior of OpenAI's GPT models, Google-internal dense transformer architectures, and Switch-style sparse transformers on BIG-bench, across model sizes spanning millions to hundreds of billions of parameters. In addition, a team of human expert raters performed all tasks in order to provide a strong baseline. Findings include: model performance and calibration both improve with scale, but are poor in absolute terms (and when compared with rater performance); performance is remarkably similar across model classes, though with benefits from sparsity; tasks that improve gradually and predictably commonly involve a large knowledge or memorization component, whereas tasks that exhibit "breakthrough" behavior at a critical scale often involve multiple steps or components, or brittle metrics; social bias typically increases with scale in settings with ambiguous context, but this can be improved with prompting.

Model-based reinforcement learning (MBRL) is a sample efficient technique to obtain control policies, yet unavoidable modeling errors often lead performance deterioration. The model in MBRL is often solely fitted to reconstruct dynamics, state observations in particular, while the impact of model error on the policy is not captured by the training objective. This leads to a mismatch between the intended goal of MBRL, enabling good policy and value learning, and the target of the loss function employed in practice, future state prediction. Naive intuition would suggest that value-aware model learning would fix this problem and, indeed, several solutions to this objective mismatch problem have been proposed based on theoretical analysis. However, they tend to be inferior in practice to commonly used maximum likelihood (MLE) based approaches. In this paper we propose the Value-gradient weighted Model Learning (VaGraM), a novel method for value-aware model learning which improves the performance of MBRL in challenging settings, such as small model capacity and the presence of distracting state dimensions. We analyze both MLE and value-aware approaches and demonstrate how they fail to account for exploration and the behavior of function approximation when learning value-aware models and highlight the additional goals that must be met to stabilize optimization in the deep learning setting. We verify our analysis by showing that our loss function is able to achieve high returns on the Mujoco benchmark suite while being more robust than maximum likelihood based approaches.

We propose a quantum version of a generative diffusion model. In this algorithm, artificial neural networks are replaced with parameterized quantum circuits, in order to directly generate quantum states. We present both a full quantum and a latent quantum version of the algorithm; we also present a conditioned version of these models. The models' performances have been evaluated using quantitative metrics complemented by qualitative assessments. An implementation of a simplified version of the algorithm has been executed on real NISQ quantum hardware.

Quantum many-body physics simulation has important impacts on understanding fundamental science and has applications to quantum materials design and quantum technology. However, due to the exponentially growing size of the Hilbert space with respect to the particle number, a direct simulation is intractable. While representing quantum states with tensor networks and neural networks are the two state-of-the-art methods for approximate simulations, each has its own limitations in terms of expressivity and inductive bias. To address these challenges, we develop a novel architecture, Autoregressive Neural TensorNet (ANTN), which bridges tensor networks and autoregressive neural networks. We show that Autoregressive Neural TensorNet parameterizes normalized wavefunctions, allows for exact sampling, generalizes the expressivity of tensor networks and autoregressive neural networks, and inherits a variety of symmetries from autoregressive neural networks. We demonstrate our approach on quantum state learning as well as finding the ground state of the challenging 2D J_1-J_2 Heisenberg model with different systems sizes and coupling parameters, outperforming both tensor networks and autoregressive neural networks. Our work opens up new opportunities for scientific simulations of quantum many-body physics and quantum technology.

As large language models increase in capability, researchers have started to conduct surveys of all kinds on these models with varying scientific motivations. In this work, we examine what we can learn from a model's survey responses on the basis of the well-established American Community Survey (ACS) by the U.S. Census Bureau. Evaluating more than a dozen different models, varying in size from a few hundred million to ten billion parameters, hundreds of thousands of times each on questions from the ACS, we systematically establish two dominant patterns. First, smaller models have a significant position and labeling bias, for example, towards survey responses labeled with the letter "A". This A-bias diminishes, albeit slowly, as model size increases. Second, when adjusting for this labeling bias through randomized answer ordering, models still do not trend toward US population statistics or those of any cognizable population. Rather, models across the board trend toward uniformly random aggregate statistics over survey responses. This pattern is robust to various different ways of prompting the model, including what is the de-facto standard. Our findings demonstrate that aggregate statistics of a language model's survey responses lack the signals found in human populations. This absence of statistical signal cautions about the use of survey responses from large language models at present time.

In reinforcement learning and imitation learning, an object of central importance is the state distribution induced by the policy. It plays a crucial role in the policy gradient theorem, and references to it--along with the related state-action distribution--can be found all across the literature. Despite its importance, the state distribution is mostly discussed indirectly and theoretically, rather than being modeled explicitly. The reason being an absence of appropriate density estimation tools. In this work, we investigate applications of a normalizing flow-based model for the aforementioned distributions. In particular, we use a pair of flows coupled through the optimality point of the Donsker-Varadhan representation of the Kullback-Leibler (KL) divergence, for distribution matching based imitation learning. Our algorithm, Coupled Flow Imitation Learning (CFIL), achieves state-of-the-art performance on benchmark tasks with a single expert trajectory and extends naturally to a variety of other settings, including the subsampled and state-only regimes.

Living systems face both environmental complexity and limited access to free-energy resources. Survival under these conditions requires a control system that can activate, or deploy, available perception and action resources in a context specific way. We show here that when systems are described as executing active inference driven by the free-energy principle (and hence can be considered Bayesian prediction-error minimizers), their control flow systems can always be represented as tensor networks (TNs). We show how TNs as control systems can be implmented within the general framework of quantum topological neural networks, and discuss the implications of these results for modeling biological systems at multiple scales.

Understanding how language model performance varies with scale is critical to benchmark and algorithm development. Scaling laws are one approach to building this understanding, but the requirement of training models across many different scales has limited their use. We propose an alternative, observational approach that bypasses model training and instead builds scaling laws from ~80 publically available models. Building a single scaling law from multiple model families is challenging due to large variations in their training compute efficiencies and capabilities. However, we show that these variations are consistent with a simple, generalized scaling law where language model performance is a function of a low-dimensional capability space, and model families only vary in their efficiency in converting training compute to capabilities. Using this approach, we show the surprising predictability of complex scaling phenomena: we show that several emergent phenomena follow a smooth, sigmoidal behavior and are predictable from small models; we show that the agent performance of models such as GPT-4 can be precisely predicted from simpler non-agentic benchmarks; and we show how to predict the impact of post-training interventions like Chain-of-Thought and Self-Consistency as language model capabilities continue to improve.

Hamiltonian Monte Carlo (HMC) is a powerful algorithm to sample latent variables from Bayesian models. The advent of probabilistic programming languages (PPLs) frees users from writing inference algorithms and lets users focus on modeling. However, many models are difficult for HMC to solve directly, and often require tricks like model reparameterization. We are motivated by the fact that many of those models could be simplified by marginalization. We propose to use automatic marginalization as part of the sampling process using HMC in a graphical model extracted from a PPL, which substantially improves sampling from real-world hierarchical models.

Representations are at the core of all deep reinforcement learning (RL) methods for both Markov decision processes (MDPs) and partially observable Markov decision processes (POMDPs). Many representation learning methods and theoretical frameworks have been developed to understand what constitutes an effective representation. However, the relationships between these methods and the shared properties among them remain unclear. In this paper, we show that many of these seemingly distinct methods and frameworks for state and history abstractions are, in fact, based on a common idea of self-predictive abstraction. Furthermore, we provide theoretical insights into the widely adopted objectives and optimization, such as the stop-gradient technique, in learning self-predictive representations. These findings together yield a minimalist algorithm to learn self-predictive representations for states and histories. We validate our theories by applying our algorithm to standard MDPs, MDPs with distractors, and POMDPs with sparse rewards. These findings culminate in a set of preliminary guidelines for RL practitioners.

The capabilities of large language models (LLMs) have sparked debate over whether such systems just learn an enormous collection of superficial statistics or a coherent model of the data generating process -- a world model. We find evidence for the latter by analyzing the learned representations of three spatial datasets (world, US, NYC places) and three temporal datasets (historical figures, artworks, news headlines) in the Llama-2 family of models. We discover that LLMs learn linear representations of space and time across multiple scales. These representations are robust to prompting variations and unified across different entity types (e.g. cities and landmarks). In addition, we identify individual ``space neurons'' and ``time neurons'' that reliably encode spatial and temporal coordinates. Our analysis demonstrates that modern LLMs acquire structured knowledge about fundamental dimensions such as space and time, supporting the view that they learn not merely superficial statistics, but literal world models.

The crystallization of modeling methods around the Transformer architecture has been a boon for practitioners. Simple, well-motivated architectural variations can transfer across tasks and scale, increasing the impact of modeling research. However, with the emergence of state-of-the-art 100B+ parameters models, large language models are increasingly expensive to accurately design and train. Notably, it can be difficult to evaluate how modeling decisions may impact emergent capabilities, given that these capabilities arise mainly from sheer scale alone. In the process of building BLOOM--the Big Science Large Open-science Open-access Multilingual language model--our goal is to identify an architecture and training setup that makes the best use of our 1,000,000 A100-GPU-hours budget. Specifically, we perform an ablation study at the billion-parameter scale comparing different modeling practices and their impact on zero-shot generalization. In addition, we study the impact of various popular pre-training corpora on zero-shot generalization. We also study the performance of a multilingual model and how it compares to the English-only one. Finally, we consider the scaling behaviour of Transformers to choose the target model size, shape, and training setup. All our models and code are open-sourced at https://huggingface.co/bigscience .

Recently, recurrent models based on linear state space models (SSMs) have shown promising performance in language modeling (LM), competititve with transformers. However, there is little understanding of the in-principle abilities of such models, which could provide useful guidance to the search for better LM architectures. We present a comprehensive theoretical study of the capacity of such SSMs as it compares to that of transformers and traditional RNNs. We find that SSMs and transformers have overlapping but distinct strengths. In star-free state tracking, SSMs implement straightforward and exact solutions to problems that transformers struggle to represent exactly. They can also model bounded hierarchical structure with optimal memory even without simulating a stack. On the other hand, we identify a design choice in current SSMs that limits their expressive power. We discuss implications for SSM and LM research, and verify results empirically on a recent SSM, Mamba.