Daily Papers

This paper presents MoE-Infinity, a cost-efficient mixture-of-expert (MoE) serving system that realizes activation-aware expert offloading. MoE-Infinity features sequence-level expert activation tracing, a new approach adept at identifying sparse activations and capturing the temporal locality of MoE inference. By analyzing these traces, MoE-Infinity performs novel activation-aware expert prefetching and caching, substantially reducing the latency overheads usually associated with offloading experts for improved cost performance. Extensive experiments in a cluster show that MoE-Infinity outperforms numerous existing systems and approaches, reducing latency by 4 - 20X and decreasing deployment costs by over 8X for various MoEs. MoE-Infinity's source code is publicly available at https://github.com/TorchMoE/MoE-Infinity

We present the Mixture-of-Tunable-Experts (MoTE), a method that extends the Mixture-of-Experts architecture of Large Language Models (LLMs). Without additional training, MoTE enables meaningful and focused behavior changes in LLMs on-the-fly during inference time. By analyzing the digital LLM brain of DeepSeek-R1 using a technique we dub 'functional Token Resonance Imaging' (fTRI) -- inspired by fMRI and using prompts designed to elicit specific behavior (e.g., 'What happened {time}{place}?') -- we empirically identify distinctive experts associated with behaviors like refusal responses. Using MoTE we are able to intervene and control such specific behavior. We switched off the top 10 most refusal-relevant experts (0.07% of R1's 14,848 routed experts), achieving a 52% refusal reduction on sensitive reference prompts without performance degradation on MT-Bench. Random expert deactivation resulted in smaller behavioral shifts with increased noise, whereas forced expert activation led to significantly higher refusal rates. Our approach shares similarities with sparse autoencoders (SAEs) in terms of explainability and steerability. Unlike SAEs, MoTE does not require large training efforts, as within MoEs with a vast number of experts, specialization already emerged naturally during pretraining. Our findings suggest that significant functional mechanisms in Mixture-of-Experts architectures can at least partially be localized in a small number of specific experts, rather than being distributed throughout the model's weights. Expert subgroups can be tuned to trigger significant behavior variations, providing insights into the inner workings of LLMs.

While Large Language Models (LLMs) demonstrate impressive reasoning capabilities, understanding and validating their knowledge utilization remains challenging. Chain-of-thought (CoT) prompting partially addresses this by revealing intermediate reasoning steps, but the knowledge flow and application remain implicit. We introduce IAO (Input-Action-Output) prompting, a structured template-based method that explicitly models how LLMs access and apply their knowledge during complex reasoning tasks. IAO decomposes problems into sequential steps, each clearly identifying the input knowledge being used, the action being performed, and the resulting output. This structured decomposition enables us to trace knowledge flow, verify factual consistency, and identify potential knowledge gaps or misapplications. Through experiments across diverse reasoning tasks, we demonstrate that IAO not only improves zero-shot performance but also provides transparency in how LLMs leverage their stored knowledge. Human evaluation confirms that this structured approach enhances our ability to verify knowledge utilization and detect potential hallucinations or reasoning errors. Our findings provide insights into both knowledge representation within LLMs and methods for more reliable knowledge application.

Mechanistic interpretability seeks to understand the internal mechanisms of machine learning models, where localization -- identifying the important model components -- is a key step. Activation patching, also known as causal tracing or interchange intervention, is a standard technique for this task (Vig et al., 2020), but the literature contains many variants with little consensus on the choice of hyperparameters or methodology. In this work, we systematically examine the impact of methodological details in activation patching, including evaluation metrics and corruption methods. In several settings of localization and circuit discovery in language models, we find that varying these hyperparameters could lead to disparate interpretability results. Backed by empirical observations, we give conceptual arguments for why certain metrics or methods may be preferred. Finally, we provide recommendations for the best practices of activation patching going forwards.

Recent works suggest that transformer models are capable of multi-tasking on diverse NLP tasks and adapting to new tasks efficiently. However, the potential of these multi-task models may be limited as they use the same set of parameters for all tasks. In contrast, humans tackle tasks in a more flexible way, by making proper presumptions on what skills and knowledge are relevant and executing only the necessary computations. Inspired by this, we propose to use task-level mixture-of-expert models, which has a collection of transformer layers (i.e., experts) and a router component that chooses from these experts dynamically and flexibly. We find that these models help improve the average performance gain (ARG) metric by 2.6% when adapting to unseen tasks in the few-shot setting and by 5.6% in the zero-shot generalization setting. Further, we show that the learned routing decisions partly rediscover human categorization of NLP tasks -- certain experts are strongly associated with extractive tasks, some with classification tasks, and some with tasks requiring world knowledge.

Sparsely activated neural networks with conditional computation learn to route their inputs through different "expert" subnetworks, providing a form of modularity that densely activated models lack. Despite their possible benefits, models with learned routing often underperform their parameter-matched densely activated counterparts as well as models that use non-learned heuristic routing strategies. In this paper, we hypothesize that these shortcomings stem from the gradient estimation techniques used to train sparsely activated models that use non-differentiable discrete routing decisions. To address this issue, we introduce Soft Merging of Experts with Adaptive Routing (SMEAR), which avoids discrete routing by using a single "merged" expert constructed via a weighted average of all of the experts' parameters. By routing activations through a single merged expert, SMEAR does not incur a significant increase in computational costs and enables standard gradient-based training. We empirically validate that models using SMEAR outperform models that route based on metadata or learn sparse routing through gradient estimation. Furthermore, we provide qualitative analysis demonstrating that the experts learned via SMEAR exhibit a significant amount of specialization. All of the code used in our experiments is publicly available.

Mixture-of-Experts (MoE) models mostly use a router to assign tokens to specific expert modules, activating only partial parameters and often outperforming dense models. We argue that the separation between the router's decision-making and the experts' execution is a critical yet overlooked issue, leading to suboptimal expert selection and ineffective learning. To address this, we propose Autonomy-of-Experts (AoE), a novel MoE paradigm in which experts autonomously select themselves to process inputs. AoE is based on the insight that an expert is aware of its own capacity to effectively process a token, an awareness reflected in the scale of its internal activations. In AoE, routers are removed; instead, experts pre-compute internal activations for inputs and are ranked based on their activation norms. Only the top-ranking experts proceed with the forward pass, while the others abort. The overhead of pre-computing activations is reduced through a low-rank weight factorization. This self-evaluating-then-partner-comparing approach ensures improved expert selection and effective learning. We pre-train language models having 700M up to 4B parameters, demonstrating that AoE outperforms traditional MoE models with comparable efficiency.

Large language model agents have exhibited exceptional performance across a range of complex interactive tasks. Recent approaches have utilized tuning with expert trajectories to enhance agent performance, yet they primarily concentrate on outcome rewards, which may lead to errors or suboptimal actions due to the absence of process supervision signals. In this paper, we introduce the Iterative step-level Process Refinement (IPR) framework, which provides detailed step-by-step guidance to enhance agent training. Specifically, we adopt the Monte Carlo method to estimate step-level rewards. During each iteration, the agent explores along the expert trajectory and generates new actions. These actions are then evaluated against the corresponding step of expert trajectory using step-level rewards. Such comparison helps identify discrepancies, yielding contrastive action pairs that serve as training data for the agent. Our experiments on three complex agent tasks demonstrate that our framework outperforms a variety of strong baselines. Moreover, our analytical findings highlight the effectiveness of IPR in augmenting action efficiency and its applicability to diverse models.

Large Language Models (LLMs) exhibit strong generalization capabilities to novel tasks when prompted with language instructions and in-context demos. Since this ability sensitively depends on the quality of prompts, various methods have been explored to automate the instruction design. While these methods demonstrated promising results, they also restricted the searched prompt to one instruction. Such simplification significantly limits their capacity, as a single demo-free instruction might not be able to cover the entire complex problem space of the targeted task. To alleviate this issue, we adopt the Mixture-of-Expert paradigm and divide the problem space into a set of sub-regions; Each sub-region is governed by a specialized expert, equipped with both an instruction and a set of demos. A two-phase process is developed to construct the specialized expert for each region: (1) demo assignment: Inspired by the theoretical connection between in-context learning and kernel regression, we group demos into experts based on their semantic similarity; (2) instruction assignment: A region-based joint search of an instruction per expert complements the demos assigned to it, yielding a synergistic effect. The resulting method, codenamed Mixture-of-Prompts (MoP), achieves an average win rate of 81% against prior arts across several major benchmarks.

Mixture-of-Experts (MoE) has emerged as a prominent architecture for scaling model size while maintaining computational efficiency. In MoE, each token in the input sequence activates a different subset of experts determined by a routing mechanism. However, the unchosen experts in MoE models do not contribute to the output, potentially leading to underutilization of the model's capacity. In this work, we first conduct exploratory studies to demonstrate that increasing the number of activated experts does not necessarily improve and can even degrade the output quality. Then, we show that output distributions from an MoE model using different routing strategies substantially differ, indicating that different experts do not always act synergistically. Motivated by these findings, we propose Self-Contrast Mixture-of-Experts (SCMoE), a training-free strategy that utilizes unchosen experts in a self-contrast manner during inference. In SCMoE, the next-token probabilities are determined by contrasting the outputs from strong and weak activation using the same MoE model. Our method is conceptually simple and computationally lightweight, as it incurs minimal latency compared to greedy decoding. Experiments on several benchmarks (GSM8K, StrategyQA, MBPP and HumanEval) demonstrate that SCMoE can consistently enhance Mixtral 8x7B's reasoning capability across various domains. For example, it improves the accuracy on GSM8K from 61.79 to 66.94. Moreover, combining SCMoE with self-consistency yields additional gains, increasing major@20 accuracy from 75.59 to 78.31.

The incredible success of transformers on sequence modeling tasks can be largely attributed to the self-attention mechanism, which allows information to be transferred between different parts of a sequence. Self-attention allows transformers to encode causal structure which makes them particularly suitable for sequence modeling. However, the process by which transformers learn such causal structure via gradient-based training algorithms remains poorly understood. To better understand this process, we introduce an in-context learning task that requires learning latent causal structure. We prove that gradient descent on a simplified two-layer transformer learns to solve this task by encoding the latent causal graph in the first attention layer. The key insight of our proof is that the gradient of the attention matrix encodes the mutual information between tokens. As a consequence of the data processing inequality, the largest entries of this gradient correspond to edges in the latent causal graph. As a special case, when the sequences are generated from in-context Markov chains, we prove that transformers learn an induction head (Olsson et al., 2022). We confirm our theoretical findings by showing that transformers trained on our in-context learning task are able to recover a wide variety of causal structures.

Large language models (LLMs) have significantly impacted many aspects of our lives. However, assessing and ensuring their chronological knowledge remains challenging. Existing approaches fall short in addressing the accumulative nature of knowledge, often relying on a single time stamp. To overcome this, we introduce ChroKnowBench, a benchmark dataset designed to evaluate chronologically accumulated knowledge across three key aspects: multiple domains, time dependency, temporal state. Our benchmark distinguishes between knowledge that evolves (e.g., scientific discoveries, amended laws) and knowledge that remain constant (e.g., mathematical truths, commonsense facts). Building on this benchmark, we present ChroKnowledge (Chronological Categorization of Knowledge), a novel sampling-based framework for evaluating and updating LLMs' non-parametric chronological knowledge. Our evaluation shows: (1) The ability of eliciting temporal knowledge varies depending on the data format that model was trained on. (2) LLMs partially recall knowledge or show a cut-off at temporal boundaries rather than recalling all aspects of knowledge correctly. Thus, we apply our ChroKnowPrompt, an in-depth prompting to elicit chronological knowledge by traversing step-by-step through the surrounding time spans. We observe that our framework successfully updates the overall knowledge across the entire timeline in both the biomedical domain (+11.9%) and the general domain (+2.8%), demonstrating its effectiveness in refining temporal knowledge. This non-parametric approach also enables knowledge updates not only in open-source models but also in proprietary LLMs, ensuring comprehensive applicability across model types. We perform a comprehensive analysis based on temporal characteristics of ChroKnowPrompt and validate the potential of various models to elicit intrinsic temporal knowledge through our method.

"Induction heads" are attention heads that implement a simple algorithm to complete token sequences like [A][B] ... [A] -> [B]. In this work, we present preliminary and indirect evidence for a hypothesis that induction heads might constitute the mechanism for the majority of all "in-context learning" in large transformer models (i.e. decreasing loss at increasing token indices). We find that induction heads develop at precisely the same point as a sudden sharp increase in in-context learning ability, visible as a bump in the training loss. We present six complementary lines of evidence, arguing that induction heads may be the mechanistic source of general in-context learning in transformer models of any size. For small attention-only models, we present strong, causal evidence; for larger models with MLPs, we present correlational evidence.

Recent advances in efficient sequence modeling have led to attention-free layers, such as Mamba, RWKV, and various gated RNNs, all featuring sub-quadratic complexity in sequence length and excellent scaling properties, enabling the construction of a new type of foundation models. In this paper, we present a unified view of these models, formulating such layers as implicit causal self-attention layers. The formulation includes most of their sub-components and is not limited to a specific part of the architecture. The framework compares the underlying mechanisms on similar grounds for different layers and provides a direct means for applying explainability methods. Our experiments show that our attention matrices and attribution method outperform an alternative and a more limited formulation that was recently proposed for Mamba. For the other architectures for which our method is the first to provide such a view, our method is effective and competitive in the relevant metrics compared to the results obtained by state-of-the-art transformer explainability methods. Our code is publicly available.

Retrieval-Augmented Generation (RAG) significantly improved the ability of Large Language Models (LLMs) to solve knowledge-intensive tasks. While existing research seeks to enhance RAG performance by retrieving higher-quality documents or designing RAG-specific LLMs, the internal mechanisms within LLMs that contribute to the effectiveness of RAG systems remain underexplored. In this paper, we aim to investigate these internal mechanisms within the popular Mixture-of-Expert (MoE)-based LLMs and demonstrate how to improve RAG by examining expert activations in these LLMs. Our controlled experiments reveal that several core groups of experts are primarily responsible for RAG-related behaviors. The activation of these core experts can signify the model's inclination towards external/internal knowledge and adjust its behavior. For instance, we identify core experts that can (1) indicate the sufficiency of the model's internal knowledge, (2) assess the quality of retrieved documents, and (3) enhance the model's ability to utilize context. Based on these findings, we propose several strategies to enhance RAG's efficiency and effectiveness through expert activation. Experimental results across various datasets and MoE-based LLMs show the effectiveness of our method.

Recent work demonstrated Transformers' ability to efficiently copy strings of exponential sizes, distinguishing them from other architectures. We present the Causal Relation Network (CausalRN), an all-MLP sequence modeling architecture that can match Transformers on the copying task. Extending Relation Networks (RNs), we implemented key innovations to support autoregressive sequence modeling while maintaining computational feasibility. We discovered that exponentially-activated RNs are reducible to linear time complexity, and pre-activation normalization induces an infinitely growing memory pool, similar to a KV cache. In ablation study, we found both exponential activation and pre-activation normalization are indispensable for Transformer-level copying. Our findings provide new insights into what actually constitutes strong in-context retrieval.

Activation Patching is a method of directly computing causal attributions of behavior to model components. However, applying it exhaustively requires a sweep with cost scaling linearly in the number of model components, which can be prohibitively expensive for SoTA Large Language Models (LLMs). We investigate Attribution Patching (AtP), a fast gradient-based approximation to Activation Patching and find two classes of failure modes of AtP which lead to significant false negatives. We propose a variant of AtP called AtP*, with two changes to address these failure modes while retaining scalability. We present the first systematic study of AtP and alternative methods for faster activation patching and show that AtP significantly outperforms all other investigated methods, with AtP* providing further significant improvement. Finally, we provide a method to bound the probability of remaining false negatives of AtP* estimates.

Knowledge tracing (KT) has recently been an active research area of computational pedagogy. The task is to model students' mastery level of knowledge concepts based on their responses to the questions in the past, as well as predict the probabilities that they correctly answer subsequent questions in the future. KT tasks were historically solved using statistical modeling methods such as Bayesian inference and factor analysis, but recent advances in deep learning have led to the successive proposals that leverage deep neural networks, including long short-term memory networks, memory-augmented networks and self-attention networks. While those deep models demonstrate superior performance over the traditional approaches, they all neglect the explicit modeling of the learning curve theory, which generally says that more practice on the same knowledge concept enhances one's mastery level of the concept. Based on this theory, we propose a Convolution-Augmented Knowledge Tracing (CAKT) model in this paper. The model employs three-dimensional convolutional neural networks to explicitly learn a student's recent experience on applying the same knowledge concept with that in the next question, and fuses the learnt feature with the feature representing her overall latent knowledge state obtained using a classic LSTM network. The fused feature is then fed into a second LSTM network to predict the student's response to the next question. Experimental results show that CAKT achieves the new state-of-the-art performance in predicting students' responses compared with existing models. We also conduct extensive sensitivity analysis and ablation study to show the stability of the results and justify the particular architecture of CAKT, respectively.

We consider the problem of ranking n experts based on their performances on d tasks. We make a monotonicity assumption stating that for each pair of experts, one outperforms the other on all tasks. We consider the sequential setting where in each round, the learner has access to noisy evaluations of actively chosen pair of expert-task, given the information available up to the actual round. Given a confidence parameter delta in (0, 1), we provide strategies allowing to recover the correct ranking of experts and develop a bound on the total number of queries made by our algorithm that hold with probability at least 1 -- delta. We show that our strategy is adaptive to the complexity of the problem (our bounds are instance dependent), and develop matching lower bounds up to a poly-logarithmic factor. Finally, we adapt our strategy to the relaxed problem of best expert identification and provide numerical simulation consistent with our theoretical results.

Sparsely-activated Mixture-of-experts (MoE) models allow the number of parameters to greatly increase while keeping the amount of computation for a given token or a given sample unchanged. However, a poor expert routing strategy (e.g. one resulting in load imbalance) can cause certain experts to be under-trained, leading to an expert being under or over-specialized. Prior work allocates a fixed number of experts to each token using a top-k function regardless of the relative importance of different tokens. To address this, we propose a heterogeneous mixture-of-experts employing an expert choice method. Instead of letting tokens select the top-k experts, we have experts selecting the top-k tokens. As a result, each token can be routed to a variable number of experts and each expert can have a fixed bucket size. We systematically study pre-training speedups using the same computational resources of the Switch Transformer top-1 and GShard top-2 gating of prior work and find that our method improves training convergence time by more than 2x. For the same computational cost, our method demonstrates higher performance in fine-tuning 11 selected tasks in the GLUE and SuperGLUE benchmarks. For a smaller activation cost, our method outperforms the T5 dense model in 7 out of the 11 tasks.

Imitation learning aims to extract high-performance policies from logged demonstrations of expert behavior. It is common to frame imitation learning as a supervised learning problem in which one fits a function approximator to the input-output mapping exhibited by the logged demonstrations (input observations to output actions). While the framing of imitation learning as a supervised input-output learning problem allows for applicability in a wide variety of settings, it is also an overly simplistic view of the problem in situations where the expert demonstrations provide much richer insight into expert behavior. For example, applications such as path navigation, robot manipulation, and strategy games acquire expert demonstrations via planning, search, or some other multi-step algorithm, revealing not just the output action to be imitated but also the procedure for how to determine this action. While these intermediate computations may use tools not available to the agent during inference (e.g., environment simulators), they are nevertheless informative as a way to explain an expert's mapping of state to actions. To properly leverage expert procedure information without relying on the privileged tools the expert may have used to perform the procedure, we propose procedure cloning, which applies supervised sequence prediction to imitate the series of expert computations. This way, procedure cloning learns not only what to do (i.e., the output action), but how and why to do it (i.e., the procedure). Through empirical analysis on navigation, simulated robotic manipulation, and game-playing environments, we show that imitating the intermediate computations of an expert's behavior enables procedure cloning to learn policies exhibiting significant generalization to unseen environment configurations, including those configurations for which running the expert's procedure directly is infeasible.

Highly effective, task-specific prompts are often heavily engineered by experts to integrate detailed instructions and domain insights based on a deep understanding of both instincts of large language models (LLMs) and the intricacies of the target task. However, automating the generation of such expert-level prompts remains elusive. Existing prompt optimization methods tend to overlook the depth of domain knowledge and struggle to efficiently explore the vast space of expert-level prompts. Addressing this, we present PromptAgent, an optimization method that autonomously crafts prompts equivalent in quality to those handcrafted by experts. At its core, PromptAgent views prompt optimization as a strategic planning problem and employs a principled planning algorithm, rooted in Monte Carlo tree search, to strategically navigate the expert-level prompt space. Inspired by human-like trial-and-error exploration, PromptAgent induces precise expert-level insights and in-depth instructions by reflecting on model errors and generating constructive error feedback. Such a novel framework allows the agent to iteratively examine intermediate prompts (states), refine them based on error feedbacks (actions), simulate future rewards, and search for high-reward paths leading to expert prompts. We apply PromptAgent to 12 tasks spanning three practical domains: BIG-Bench Hard (BBH), as well as domain-specific and general NLP tasks, showing it significantly outperforms strong Chain-of-Thought and recent prompt optimization baselines. Extensive analyses emphasize its capability to craft expert-level, detailed, and domain-insightful prompts with great efficiency and generalizability.

We present Multi-expert Prompting, a novel enhancement of ExpertPrompting (Xu et al., 2023), designed to improve the large language model (LLM) generation. Specifically, it guides an LLM to fulfill an input instruction by simulating multiple experts, aggregating their responses, and selecting the best among individual and aggregated responses. This process is performed in a single chain of thoughts through our seven carefully designed subtasks derived from the Nominal Group Technique (Ven and Delbecq, 1974), a well-established decision-making framework. Our evaluations demonstrate that Multi-expert Prompting significantly outperforms ExpertPrompting and comparable baselines in enhancing the truthfulness, factuality, informativeness, and usefulness of responses while reducing toxicity and hurtfulness. It further achieves state-of-the-art truthfulness by outperforming the best baseline by 8.69% with ChatGPT. Multi-expert Prompting is efficient, explainable, and highly adaptable to diverse scenarios, eliminating the need for manual prompt construction.

Large Language Models (LLMs) have demonstrated significant potential in performing multiple tasks in multimedia applications, ranging from content generation to interactive entertainment, and artistic creation. However, the diversity of downstream tasks in multitask scenarios presents substantial adaptation challenges for LLMs. While traditional methods often succumb to knowledge confusion on their monolithic dense models, Mixture-of-Experts (MoE) has been emerged as a promising solution with its sparse architecture for effective task decoupling. Inspired by the principles of human cognitive neuroscience, we design a novel framework Intuition-MoR1E that leverages the inherent semantic clustering of instances to mimic the human brain to deal with multitask, offering implicit guidance to router for optimized feature allocation. Moreover, we introduce cutting-edge Rank-1 Experts formulation designed to manage a spectrum of intuitions, demonstrating enhanced parameter efficiency and effectiveness in multitask LLM finetuning. Extensive experiments demonstrate that Intuition-MoR1E achieves superior efficiency and 2.15\% overall accuracy improvement across 14 public datasets against other state-of-the-art baselines.

Reinforcement learning from human feedback serves as a crucial bridge, aligning large language models with human and societal values. This alignment requires a vast corpus of human feedback to learn a reward model, which is subsequently used to finetune language models. However, we have identified that the reward model often finds shortcuts to bypass its intended objectives, misleadingly assuming that humans prefer longer responses. The emergence of length bias often induces the model to favor longer outputs, yet it doesn't equate to an increase in helpful information within these outputs. In this paper, we propose an innovative solution, applying the Product-of-Experts (PoE) technique to separate reward modeling from the influence of sequence length. In our framework, the main expert concentrates on understanding human intents, while the biased expert targets the identification and capture of length bias. To further enhance the learning of bias, we introduce perturbations into the bias-focused expert, disrupting the flow of semantic information. Experimental results validate the effectiveness of our approach, indicating that language model performance is improved, irrespective of sequence length.

In-context learning (ICL) has revolutionized the capabilities of transformer models in NLP. In our project, we extend the understanding of the mechanisms underpinning ICL by exploring whether transformers can learn from sequential, non-textual function class data distributions. We introduce a novel sliding window sequential function class and employ toy-sized transformers with a GPT-2 architecture to conduct our experiments. Our analysis indicates that these models can indeed leverage ICL when trained on non-textual sequential function classes. Additionally, our experiments with randomized y-label sequences highlights that transformers retain some ICL capabilities even when the label associations are obfuscated. We provide evidence that transformers can reason with and understand sequentiality encoded within function classes, as reflected by the effective learning of our proposed tasks. Our results also show that the performance deteriorated with increasing randomness in the labels, though not to the extent one might expect, implying a potential robustness of learned sequentiality against label noise. Future research may want to look into how previous explanations of transformers, such as induction heads and task vectors, relate to sequentiality in ICL in these toy examples. Our investigation lays the groundwork for further research into how transformers process and perceive sequential data.

Despite their remarkable capabilities, Large Language Models (LLMs) are prone to generate responses that contradict verifiable facts, i.e., unfaithful hallucination content. Existing efforts generally focus on optimizing model parameters or editing semantic representations, which compromise the internal factual knowledge of target LLMs. In addition, hallucinations typically exhibit multifaceted patterns in downstream tasks, limiting the model's holistic performance across tasks. In this paper, we propose a Comparator-driven Decoding-Time (CDT) framework to alleviate the response hallucination. Firstly, we construct hallucinatory and truthful comparators with multi-task fine-tuning samples. In this case, we present an instruction prototype-guided mixture of experts strategy to enhance the ability of the corresponding comparators to capture different hallucination or truthfulness patterns in distinct task instructions. CDT constrains next-token predictions to factuality-robust distributions by contrasting the logit differences between the target LLMs and these comparators. Systematic experiments on multiple downstream tasks show that our framework can significantly improve the model performance and response factuality.

The recent phenomenal success of language models has reinvigorated machine learning research, and large sequence models such as transformers are being applied to a variety of domains. One important problem class that has remained relatively elusive however is purposeful adaptive behavior. Currently there is a common perception that sequence models "lack the understanding of the cause and effect of their actions" leading them to draw incorrect inferences due to auto-suggestive delusions. In this report we explain where this mismatch originates, and show that it can be resolved by treating actions as causal interventions. Finally, we show that in supervised learning, one can teach a system to condition or intervene on data by training with factual and counterfactual error signals respectively.

Intelligent tutoring systems optimize the selection and timing of learning materials to enhance understanding and long-term retention. This requires estimates of both the learner's progress (''knowledge tracing''; KT), and the prerequisite structure of the learning domain (''knowledge mapping''). While recent deep learning models achieve high KT accuracy, they do so at the expense of the interpretability of psychologically-inspired models. In this work, we present a solution to this trade-off. PSI-KT is a hierarchical generative approach that explicitly models how both individual cognitive traits and the prerequisite structure of knowledge influence learning dynamics, thus achieving interpretability by design. Moreover, by using scalable Bayesian inference, PSI-KT targets the real-world need for efficient personalization even with a growing body of learners and learning histories. Evaluated on three datasets from online learning platforms, PSI-KT achieves superior multi-step predictive accuracy and scalable inference in continual-learning settings, all while providing interpretable representations of learner-specific traits and the prerequisite structure of knowledge that causally supports learning. In sum, predictive, scalable and interpretable knowledge tracing with solid knowledge mapping lays a key foundation for effective personalized learning to make education accessible to a broad, global audience.

We investigate the mechanisms of factual recall in the Mamba state space model. Our work is inspired by previous findings in autoregressive transformer language models suggesting that their knowledge recall is localized to particular modules at specific token locations; we therefore ask whether factual recall in Mamba can be similarly localized. To investigate this, we conduct four lines of experiments on Mamba. First, we apply causal tracing or interchange interventions to localize key components inside Mamba that are responsible for recalling facts, revealing that specific components within middle layers show strong causal effects at the last token of the subject, while the causal effect of intervening on later layers is most pronounced at the last token of the prompt, matching previous findings on autoregressive transformers. Second, we show that rank-one model editing methods can successfully insert facts at specific locations, again resembling findings on transformer models. Third, we examine the linearity of Mamba's representations of factual relations. Finally we adapt attention-knockout techniques to Mamba to dissect information flow during factual recall. We compare Mamba directly to a similar-sized transformer and conclude that despite significant differences in architectural approach, when it comes to factual recall, the two architectures share many similarities.

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 observe that pre-trained large language models (LLMs) are capable of autoregressively completing complex token sequences -- from arbitrary ones procedurally generated by probabilistic context-free grammars (PCFG), to more rich spatial patterns found in the Abstract Reasoning Corpus (ARC), a general AI benchmark, prompted in the style of ASCII art. Surprisingly, pattern completion proficiency can be partially retained even when the sequences are expressed using tokens randomly sampled from the vocabulary. These results suggest that without any additional training, LLMs can serve as general sequence modelers, driven by in-context learning. In this work, we investigate how these zero-shot capabilities may be applied to problems in robotics -- from extrapolating sequences of numbers that represent states over time to complete simple motions, to least-to-most prompting of reward-conditioned trajectories that can discover and represent closed-loop policies (e.g., a stabilizing controller for CartPole). While difficult to deploy today for real systems due to latency, context size limitations, and compute costs, the approach of using LLMs to drive low-level control may provide an exciting glimpse into how the patterns among words could be transferred to actions.

Recent research has demonstrated that Feed-Forward Networks (FFNs) in Large Language Models (LLMs) play a pivotal role in storing diverse linguistic and factual knowledge. Conventional methods frequently face challenges due to knowledge confusion stemming from their monolithic and redundant architectures, which calls for more efficient solutions with minimal computational overhead, particularly for LLMs. In this paper, we explore the FFN computation paradigm in LLMs and introduce FactorLLM, a novel approach that decomposes well-trained dense FFNs into sparse sub-networks without requiring any further modifications, while maintaining the same level of performance. Furthermore, we embed a router from the Mixture-of-Experts (MoE), combined with our devised Prior-Approximate (PA) loss term that facilitates the dynamic activation of experts and knowledge adaptation, thereby accelerating computational processes and enhancing performance using minimal training data and fine-tuning steps. FactorLLM thus enables efficient knowledge factorization and activates select groups of experts specifically tailored to designated tasks, emulating the interactive functional segmentation of the human brain. Extensive experiments across various benchmarks demonstrate the effectiveness of our proposed FactorLLM which achieves comparable performance to the source model securing up to 85% model performance while obtaining over a 30% increase in inference speed. Code: https://github.com/zhenwuweihe/FactorLLM.

We analyze the storage and recall of factual associations in autoregressive transformer language models, finding evidence that these associations correspond to localized, directly-editable computations. We first develop a causal intervention for identifying neuron activations that are decisive in a model's factual predictions. This reveals a distinct set of steps in middle-layer feed-forward modules that mediate factual predictions while processing subject tokens. To test our hypothesis that these computations correspond to factual association recall, we modify feed-forward weights to update specific factual associations using Rank-One Model Editing (ROME). We find that ROME is effective on a standard zero-shot relation extraction (zsRE) model-editing task, comparable to existing methods. To perform a more sensitive evaluation, we also evaluate ROME on a new dataset of counterfactual assertions, on which it simultaneously maintains both specificity and generalization, whereas other methods sacrifice one or another. Our results confirm an important role for mid-layer feed-forward modules in storing factual associations and suggest that direct manipulation of computational mechanisms may be a feasible approach for model editing. The code, dataset, visualizations, and an interactive demo notebook are available at https://rome.baulab.info/

Large Language Models (LLMs) have demonstrated remarkable human-level natural language generation capabilities. However, their potential to generate misinformation, often called the hallucination problem, poses a significant risk to their deployment. A common approach to address this issue is to retrieve relevant knowledge and fine-tune the LLM with the knowledge in its input. Unfortunately, this method incurs high training costs and may cause catastrophic forgetting for multi-tasking models. To overcome these limitations, we propose a knowledge-constrained decoding method called KCTS (Knowledge-Constrained Tree Search), which guides a frozen LM to generate text aligned with the reference knowledge at each decoding step using a knowledge classifier score and MCTS (Monte-Carlo Tree Search). To adapt the sequence-level knowledge classifier to token-level guidance, we also propose a novel token-level hallucination detection method called RIPA (Reward Inflection Point Approximation). Our empirical results on knowledge-grounded dialogue and abstractive summarization demonstrate the strength of KCTS as a plug-and-play, model-agnostic decoding method that can effectively reduce hallucinations in natural language generation.

We propose a method to teach multiple large language models (LLM) to collaborate by interleaving their generations at the token level. We model the decision of which LLM generates the next token as a latent variable. By optimizing the marginal likelihood of a training set under our latent variable model, the base LLM automatically learns when to generate itself and when to call on one of the ``assistant'' language models to generate, all without direct supervision. Token-level collaboration during decoding allows for a fusion of each model's expertise in a manner tailored to the specific task at hand. Our collaborative decoding is especially useful in cross-domain settings where a generalist base LLM learns to invoke domain expert models. On instruction-following, domain-specific QA, and reasoning tasks, we show that the performance of the joint system exceeds that of the individual models. Through qualitative analysis of the learned latent decisions, we show models trained with our method exhibit several interesting collaboration patterns, e.g., template-filling. Our code is available at https://github.com/clinicalml/co-llm.

Large Language Models (LLMs) encounter significant challenges in continual learning due to catastrophic forgetting, where new information overwrites previously acquired knowledge. This limitation leads to substantial environmental and economic waste. In this study, we introduce the PMoE, Progressive Mixture of Experts with Asymmetric Transformer, which aims to minimize forgetting by utilizing an asymmetric design with shallow layers dedicated to general knowledge and deep layers for new knowledge. PMoE incorporates progressively added experts in deep layers and a router that allocates new knowledge to the appropriate experts efficiently. The router, positioned adjacent to the deep layers, utilizes deep features aggregating consolidated information. This enables the router to perform efficiently, allocating new knowledge to the appropriate experts, which progressively increase in the deep layers. Extensive experiments on TRACE datasets and general language understanding datasets demonstrate that the proposed PMoE outperforms previous state-of-the-art approaches.

While Pre-trained Language Models (PLMs) internalize a great amount of world knowledge, they have been shown incapable of recalling these knowledge to solve tasks requiring complex & multi-step reasoning. Similar to how humans develop a "chain of thought" for these tasks, how can we equip PLMs with such abilities? In this work, we explore an iterative prompting framework, a new prompting paradigm which progressively elicits relevant knowledge from PLMs for multi-step inference. We identify key limitations of existing prompting methods, namely they are either restricted to queries with a single identifiable relation/predicate, or being agnostic to input contexts, which makes it difficult to capture variabilities across different inference steps. We propose an iterative context-aware prompter, which addresses these limitations by learning to dynamically synthesize prompts conditioned on the current step's contexts. Experiments on three datasets involving multi-step reasoning show the effectiveness of the iterative scheme and the context-aware prompter design.

Cognitive psychologists have documented that humans use cognitive heuristics, or mental shortcuts, to make quick decisions while expending less effort. While performing annotation work on crowdsourcing platforms, we hypothesize that such heuristic use among annotators cascades on to data quality and model robustness. In this work, we study cognitive heuristic use in the context of annotating multiple-choice reading comprehension datasets. We propose tracking annotator heuristic traces, where we tangibly measure low-effort annotation strategies that could indicate usage of various cognitive heuristics. We find evidence that annotators might be using multiple such heuristics, based on correlations with a battery of psychological tests. Importantly, heuristic use among annotators determines data quality along several dimensions: (1) known biased models, such as partial input models, more easily solve examples authored by annotators that rate highly on heuristic use, (2) models trained on annotators scoring highly on heuristic use don't generalize as well, and (3) heuristic-seeking annotators tend to create qualitatively less challenging examples. Our findings suggest that tracking heuristic usage among annotators can potentially help with collecting challenging datasets and diagnosing model biases.

Language models (LMs) have been shown to memorize a great deal of factual knowledge contained in their training data. But when an LM generates an assertion, it is often difficult to determine where it learned this information and whether it is true. In this paper, we propose the problem of fact tracing: identifying which training examples taught an LM to generate a particular factual assertion. Prior work on training data attribution (TDA) may offer effective tools for identifying such examples, known as "proponents". We present the first quantitative benchmark to evaluate this. We compare two popular families of TDA methods -- gradient-based and embedding-based -- and find that much headroom remains. For example, both methods have lower proponent-retrieval precision than an information retrieval baseline (BM25) that does not have access to the LM at all. We identify key challenges that may be necessary for further improvement such as overcoming the problem of gradient saturation, and also show how several nuanced implementation details of existing neural TDA methods can significantly improve overall fact tracing performance.

Information flows by routes inside the network via mechanisms implemented in the model. These routes can be represented as graphs where nodes correspond to token representations and edges to operations inside the network. We automatically build these graphs in a top-down manner, for each prediction leaving only the most important nodes and edges. In contrast to the existing workflows relying on activation patching, we do this through attribution: this allows us to efficiently uncover existing circuits with just a single forward pass. Additionally, the applicability of our method is far beyond patching: we do not need a human to carefully design prediction templates, and we can extract information flow routes for any prediction (not just the ones among the allowed templates). As a result, we can talk about model behavior in general, for specific types of predictions, or different domains. We experiment with Llama 2 and show that the role of some attention heads is overall important, e.g. previous token heads and subword merging heads. Next, we find similarities in Llama 2 behavior when handling tokens of the same part of speech. Finally, we show that some model components can be specialized on domains such as coding or multilingual texts.

Mixtures of Experts combine the outputs of several "expert" networks, each of which specializes in a different part of the input space. This is achieved by training a "gating" network that maps each input to a distribution over the experts. Such models show promise for building larger networks that are still cheap to compute at test time, and more parallelizable at training time. In this this work, we extend the Mixture of Experts to a stacked model, the Deep Mixture of Experts, with multiple sets of gating and experts. This exponentially increases the number of effective experts by associating each input with a combination of experts at each layer, yet maintains a modest model size. On a randomly translated version of the MNIST dataset, we find that the Deep Mixture of Experts automatically learns to develop location-dependent ("where") experts at the first layer, and class-specific ("what") experts at the second layer. In addition, we see that the different combinations are in use when the model is applied to a dataset of speech monophones. These demonstrate effective use of all expert combinations.

Large Language Models (LLMs) often encounter conflicts between their learned, internal (parametric knowledge, PK) and external knowledge provided during inference (contextual knowledge, CK). Understanding how LLMs models prioritize one knowledge source over the other remains a challenge. In this paper, we propose a novel probing framework to explore the mechanisms governing the selection between PK and CK in LLMs. Using controlled prompts designed to contradict the model's PK, we demonstrate that specific model activations are indicative of the knowledge source employed. We evaluate this framework on various LLMs of different sizes and demonstrate that mid-layer activations, particularly those related to relations in the input, are crucial in predicting knowledge source selection, paving the way for more reliable models capable of handling knowledge conflicts effectively.

In open-domain dialogue intelligent agents should exhibit the use of knowledge, however there are few convincing demonstrations of this to date. The most popular sequence to sequence models typically "generate and hope" generic utterances that can be memorized in the weights of the model when mapping from input utterance(s) to output, rather than employing recalled knowledge as context. Use of knowledge has so far proved difficult, in part because of the lack of a supervised learning benchmark task which exhibits knowledgeable open dialogue with clear grounding. To that end we collect and release a large dataset with conversations directly grounded with knowledge retrieved from Wikipedia. We then design architectures capable of retrieving knowledge, reading and conditioning on it, and finally generating natural responses. Our best performing dialogue models are able to conduct knowledgeable discussions on open-domain topics as evaluated by automatic metrics and human evaluations, while our new benchmark allows for measuring further improvements in this important research direction.

Mixture of Experts (MoE) offers remarkable performance and computational efficiency by selectively activating subsets of model parameters. Traditionally, MoE models use homogeneous experts, each with identical capacity. However, varying complexity in input data necessitates experts with diverse capabilities, while homogeneous MoE hinders effective expert specialization and efficient parameter utilization. In this study, we propose a novel Heterogeneous Mixture of Experts (HMoE), where experts differ in size and thus possess diverse capacities. This heterogeneity allows for more specialized experts to handle varying token complexities more effectively. To address the imbalance in expert activation, we propose a novel training objective that encourages the frequent activation of smaller experts, enhancing computational efficiency and parameter utilization. Extensive experiments demonstrate that HMoE achieves lower loss with fewer activated parameters and outperforms conventional homogeneous MoE models on various pre-training evaluation benchmarks. Codes will be released upon acceptance.

Many recent prompting strategies for large language models (LLMs) query the model multiple times sequentially -- first to produce intermediate results and then the final answer. However, using these methods, both decoder and model are unaware of potential follow-up prompts, leading to disconnected and undesirably wordy intermediate responses. In this work, we address this issue by proposing prompt sketching, a new prompting paradigm in which an LLM does not only respond by completing a prompt, but by predicting values for multiple variables in a template. This way, sketching grants users more control over the generation process, e.g., by providing a reasoning framework via intermediate instructions, leading to better overall results. The key idea enabling sketching with existing, autoregressive models is to adapt the decoding procedure to also score follow-up instructions during text generation, thus optimizing overall template likelihood in inference. Our experiments show that in a zero-shot setting, prompt sketching outperforms existing, sequential prompting schemes such as direct asking or chain-of-thought on 7 out of 8 LLM benchmarking tasks, including state tracking, arithmetic reasoning, and general question answering. To facilitate future use, we release a number of generic, yet effective sketches applicable to many tasks, and an open source library called dclib, powering our sketch-aware decoders.

Sequences have become first class citizens in supervised learning thanks to the resurgence of recurrent neural networks. Many complex tasks that require mapping from or to a sequence of observations can now be formulated with the sequence-to-sequence (seq2seq) framework which employs the chain rule to efficiently represent the joint probability of sequences. In many cases, however, variable sized inputs and/or outputs might not be naturally expressed as sequences. For instance, it is not clear how to input a set of numbers into a model where the task is to sort them; similarly, we do not know how to organize outputs when they correspond to random variables and the task is to model their unknown joint probability. In this paper, we first show using various examples that the order in which we organize input and/or output data matters significantly when learning an underlying model. We then discuss an extension of the seq2seq framework that goes beyond sequences and handles input sets in a principled way. In addition, we propose a loss which, by searching over possible orders during training, deals with the lack of structure of output sets. We show empirical evidence of our claims regarding ordering, and on the modifications to the seq2seq framework on benchmark language modeling and parsing tasks, as well as two artificial tasks -- sorting numbers and estimating the joint probability of unknown graphical models.

Recent advances on instruction fine-tuning have led to the development of various prompting techniques for large language models, such as explicit reasoning steps. However, the success of techniques depends on various parameters, such as the task, language model, and context provided. Finding an effective prompt is, therefore, often a trial-and-error process. Most existing approaches to automatic prompting aim to optimize individual techniques instead of compositions of techniques and their dependence on the input. To fill this gap, we propose an adaptive prompting approach that predicts the optimal prompt composition ad-hoc for a given input. We apply our approach to social bias detection, a highly context-dependent task that requires semantic understanding. We evaluate it with three large language models on three datasets, comparing compositions to individual techniques and other baselines. The results underline the importance of finding an effective prompt composition. Our approach robustly ensures high detection performance, and is best in several settings. Moreover, first experiments on other tasks support its generalizability.

Large language models (LLMs) have demonstrated remarkable proficiency in in-context learning (ICL), where models adapt to new tasks through example-based prompts without requiring parameter updates. However, understanding how tasks are internally encoded and generalized remains a challenge. To address some of the empirical and technical gaps in the literature, we introduce an automated formulation for encoding task information in ICL prompts as a function of attention heads within the transformer architecture. This approach computes a single task vector as a weighted sum of attention heads, with the weights optimized causally via gradient descent. Our findings show that existing methods fail to generalize effectively to modalities beyond text. In response, we also design a benchmark to evaluate whether a task vector can preserve task fidelity in functional regression tasks. The proposed method successfully extracts task-specific information from in-context demonstrations and excels in both text and regression tasks, demonstrating its generalizability across modalities. Moreover, ablation studies show that our method's effectiveness stems from aligning the distribution of the last hidden state with that of an optimally performing in-context-learned model.

Language models (LMs) can make a correct prediction based on many possible signals in a prompt, not all corresponding to recall of factual associations. However, current interpretations of LMs fail to take this into account. For example, given the query "Astrid Lindgren was born in" with the corresponding completion "Sweden", no difference is made between whether the prediction was based on knowing where the author was born or assuming that a person with a Swedish-sounding name was born in Sweden. In this paper, we present a model-specific recipe - PrISM - for constructing datasets with examples of four different prediction scenarios: generic language modeling, guesswork, heuristics recall and exact fact recall. We apply two popular interpretability methods to the scenarios: causal tracing (CT) and information flow analysis. We find that both yield distinct results for each scenario. Results for exact fact recall and generic language modeling scenarios confirm previous conclusions about the importance of mid-range MLP sublayers for fact recall, while results for guesswork and heuristics indicate a critical role of late last token position MLP sublayers. In summary, we contribute resources for a more extensive and granular study of fact completion in LMs, together with analyses that provide a more nuanced understanding of how LMs process fact-related queries.

Large language models primarily rely on incontext learning to execute tasks. We introduce EchoPrompt, a simple yet effective approach to prompt the model to rephrase its queries before answering them. EchoPrompt is inspired by self-questioning, a cognitive strategy humans use to vocalize queries before providing answers, thereby reducing misconceptions. Experimental results demonstrate that EchoPrompt leads to substantial improvements in both zero-shot and few-shot in-context learning with standard and chain-of-thought prompting on four families of causal language models. These improvements are observed across various numerical reasoning (GSM8K, SVAMP, MultiArith, SingleOp), reading comprehension (DROP, SQuAD), and logical reasoning (Shuffled Objects, Date Understanding, Coin Flipping) tasks. On average, EchoPrompt improves the Zero-shot-CoT performance of code-davinci-002 by 5% in numerical tasks and 13% in reading comprehension tasks. We investigate the effectiveness of EchoPrompt through ablation studies, which reveal the significance of both original and rephrased queries for EchoPrompt's efficacy. Our empirical results show that EchoPrompt is an effective technique that can easily augment in-context learning for better performance.

The sparsely-activated models have achieved great success in natural language processing through large-scale parameters and relatively low computational cost, and gradually become a feasible technique for training and implementing extremely large models. Due to the limit of communication cost, activating multiple experts is hardly affordable during training and inference. Therefore, previous work usually activate just one expert at a time to alleviate additional communication cost. Such routing mechanism limits the upper bound of model performance. In this paper, we first investigate a phenomenon that increasing the number of activated experts can boost the model performance with higher sparse ratio. To increase the number of activated experts without an increase in computational cost, we propose SAM (Switch and Mixture) routing, an efficient hierarchical routing mechanism that activates multiple experts in a same device (GPU). Our methods shed light on the training of extremely large sparse models and experiments prove that our models can achieve significant performance gain with great efficiency improvement.

Transformer models exhibit in-context learning: the ability to accurately predict the response to a novel query based on illustrative examples in the input sequence. In-context learning contrasts with traditional in-weights learning of query-output relationships. What aspects of the training data distribution and architecture favor in-context vs in-weights learning? Recent work has shown that specific distributional properties inherent in language, such as burstiness, large dictionaries and skewed rank-frequency distributions, control the trade-off or simultaneous appearance of these two forms of learning. We first show that these results are recapitulated in a minimal attention-only network trained on a simplified dataset. In-context learning (ICL) is driven by the abrupt emergence of an induction head, which subsequently competes with in-weights learning. By identifying progress measures that precede in-context learning and targeted experiments, we construct a two-parameter model of an induction head which emulates the full data distributional dependencies displayed by the attention-based network. A phenomenological model of induction head formation traces its abrupt emergence to the sequential learning of three nested logits enabled by an intrinsic curriculum. We propose that the sharp transitions in attention-based networks arise due to a specific chain of multi-layer operations necessary to achieve ICL, which is implemented by nested nonlinearities sequentially learned during training.

Countless learning tasks require dealing with sequential data. Image captioning, speech synthesis, and music generation all require that a model produce outputs that are sequences. In other domains, such as time series prediction, video analysis, and musical information retrieval, a model must learn from inputs that are sequences. Interactive tasks, such as translating natural language, engaging in dialogue, and controlling a robot, often demand both capabilities. Recurrent neural networks (RNNs) are connectionist models that capture the dynamics of sequences via cycles in the network of nodes. Unlike standard feedforward neural networks, recurrent networks retain a state that can represent information from an arbitrarily long context window. Although recurrent neural networks have traditionally been difficult to train, and often contain millions of parameters, recent advances in network architectures, optimization techniques, and parallel computation have enabled successful large-scale learning with them. In recent years, systems based on long short-term memory (LSTM) and bidirectional (BRNN) architectures have demonstrated ground-breaking performance on tasks as varied as image captioning, language translation, and handwriting recognition. In this survey, we review and synthesize the research that over the past three decades first yielded and then made practical these powerful learning models. When appropriate, we reconcile conflicting notation and nomenclature. Our goal is to provide a self-contained explication of the state of the art together with a historical perspective and references to primary research.

Can a mere next-token predictor faithfully model human intelligence? We crystallize this intuitive concern, which is fragmented in the literature. As a starting point, we argue that the two often-conflated phases of next-token prediction -- autoregressive inference and teacher-forced training -- must be treated distinctly. The popular criticism that errors can compound during autoregressive inference, crucially assumes that teacher-forcing has learned an accurate next-token predictor. This assumption sidesteps a more deep-rooted problem we expose: in certain classes of tasks, teacher-forcing can simply fail to learn an accurate next-token predictor in the first place. We describe a general mechanism of how teacher-forcing can fail, and design a minimal planning task where both the Transformer and the Mamba architecture empirically fail in that manner -- remarkably, despite the task being straightforward to learn. We provide preliminary evidence that this failure can be resolved when training to predict multiple tokens in advance. We hope this finding can ground future debates and inspire explorations beyond the next-token prediction paradigm. We make our code available under https://github.com/gregorbachmann/Next-Token-Failures

Intelligent tutoring agents powered by large language models (LLMs) have been increasingly explored to deliver personalized guidance in areas such as language learning and science education. However, their capabilities in guiding users to solve complex real-world tasks remain underexplored. To address this limitation, in this work, we focus on coding tutoring, a challenging problem that requires tutors to proactively guide students toward completing predefined coding tasks. We propose a novel agent workflow, Trace-and-Verify (TRAVER), which combines knowledge tracing to estimate a student's knowledge state and turn-by-turn verification to ensure effective guidance toward task completion. We introduce DICT, an automatic evaluation protocol that assesses tutor agents holistically using controlled student simulation and code generation tests. Extensive experiments reveal the challenges of coding tutoring and demonstrate that TRAVER achieves a significantly higher success rate. Although we use code tutoring as an example in this paper, our results and findings can be extended beyond coding, providing valuable insights into advancing tutoring agents for a variety of tasks.

In order to make the foundation model more efficient and effective, our idea is combining sequence transformation and state transformation. First, we prove the availability of rotary position embedding in the state space duality algorithm, which reduces the perplexity of the hybrid quadratic causal self-attention and state space duality by more than 4%, to ensure that the combining sequence transformation unifies position encoding. Second, we propose dynamic mask attention, which maintains 100% accuracy in the more challenging multi-query associative recall task, improving by more than 150% compared to quadratic causal self-attention and state space duality, to ensure that the combining sequence transformation selectively filters relevant information. Third, we design cross domain mixture of experts, which makes the computational speed of expert retrieval with more than 1024 experts 8 to 10 times faster than the mixture of experts, to ensure that the combining state transformation quickly retrieval mixture. Finally, we summarize these matrix algorithms that can form the foundation model: Wonderful Matrices, which can be a competitor to popular model architectures.

Transformer-based language models (LMs) track contextual information through large, hard-coded input windows. We introduce MemoryPrompt, a leaner approach in which the LM is complemented by a small auxiliary recurrent network that passes information to the LM by prefixing its regular input with a sequence of vectors, akin to soft prompts, without requiring LM finetuning. Tested on a task designed to probe a LM's ability to keep track of multiple fact updates, a MemoryPrompt-augmented LM outperforms much larger LMs that have access to the full input history. We also test MemoryPrompt on a long-distance dialogue dataset, where its performance is comparable to that of a model conditioned on the entire conversation history. In both experiments we also observe that, unlike full-finetuning approaches, MemoryPrompt does not suffer from catastrophic forgetting when adapted to new tasks, thus not disrupting the generalist capabilities of the underlying LM.

As the application space of language models continues to evolve, a natural question to ask is how we can quickly adapt models to new tasks. We approach this classic question from a continual learning perspective, in which we aim to continue fine-tuning models trained on past tasks on new tasks, with the goal of "transferring" relevant knowledge. However, this strategy also runs the risk of doing more harm than good, i.e., negative transfer. In this paper, we construct a new benchmark of task sequences that target different possible transfer scenarios one might face, such as a sequence of tasks with high potential of positive transfer, high potential for negative transfer, no expected effect, or a mixture of each. An ideal learner should be able to maximally exploit information from all tasks that have any potential for positive transfer, while also avoiding the negative effects of any distracting tasks that may confuse it. We then propose a simple, yet effective, learner that satisfies many of our desiderata simply by leveraging a selective strategy for initializing new models from past task checkpoints. Still, limitations remain, and we hope this benchmark can help the community to further build and analyze such learners.

The cultivation of expertise for large language models (LLMs) to solve tasks of specific areas often requires special-purpose tuning with calibrated behaviors on the expected stable outputs. To avoid huge cost brought by manual preparation of instruction datasets and training resources up to hundreds of hours, the exploitation of open knowledge including a wealth of low rank adaptation (LoRA) models and instruction datasets serves as a good starting point. However, existing methods on model and data selection focus on the performance of general-purpose capabilities while neglecting the knowledge gap exposed in domain-specific deployment. In the present study, we propose to bridge such gap by introducing few human-annotated samples (i.e., K-shot) for advancing task expertise of LLMs with open knowledge. Specifically, we develop an efficient and scalable pipeline to cost-efficiently produce task experts where K-shot data intervene in selecting the most promising expert candidates and the task-relevant instructions. A mixture-of-expert (MoE) system is built to make the best use of individual-yet-complementary knowledge between multiple experts. We unveil the two keys to the success of a MoE system, 1) the abidance by K-shot, and 2) the insistence on diversity. For the former, we ensure that models that truly possess problem-solving abilities on K-shot are selected rather than those blind guessers. Besides, during data selection, instructions that share task-relevant contexts with K-shot are prioritized. For the latter, we highlight the diversity of constituting experts and that of the fine-tuning instructions throughout the model and data selection process. Extensive experimental results confirm the superiority of our approach over existing methods on utilization of open knowledge across various tasks. Codes and models will be released later.

When an agent encounters a continual stream of new tasks in the lifelong learning setting, it leverages the knowledge it gained from the earlier tasks to help learn the new tasks better. In such a scenario, identifying an efficient knowledge representation becomes a challenging problem. Most research works propose to either store a subset of examples from the past tasks in a replay buffer, dedicate a separate set of parameters to each task or penalize excessive updates over parameters by introducing a regularization term. While existing methods employ the general task-agnostic stochastic gradient descent update rule, we propose a task-aware optimizer that adapts the learning rate based on the relatedness among tasks. We utilize the directions taken by the parameters during the updates by accumulating the gradients specific to each task. These task-based accumulated gradients act as a knowledge base that is maintained and updated throughout the stream. We empirically show that our proposed adaptive learning rate not only accounts for catastrophic forgetting but also allows positive backward transfer. We also show that our method performs better than several state-of-the-art methods in lifelong learning on complex datasets with a large number of tasks.

Large language models (LLMs) have shown increasing capacity at planning and executing a high-level goal in a live computer environment (e.g. MiniWoB++). To perform a task, recent works often require a model to learn from trace examples of the task via either supervised learning or few/many-shot prompting. Without these trace examples, it remains a challenge how an agent can autonomously learn and improve its control on a computer, which limits the ability of an agent to perform a new task. We approach this problem with a zero-shot agent that requires no given expert traces. Our agent plans for executable actions on a partially observed environment, and iteratively progresses a task by identifying and learning from its mistakes via self-reflection and structured thought management. On the easy tasks of MiniWoB++, we show that our zero-shot agent often outperforms recent SoTAs, with more efficient reasoning. For tasks with more complexity, our reflective agent performs on par with prior best models, even though previous works had the advantages of accessing expert traces or additional screen information.

Many papers have shown that attention heads work in conjunction with each other to perform complex tasks. It's frequently assumed that communication between attention heads is via the addition of specific features to token residuals. In this work we seek to isolate and identify the features used to effect communication and coordination among attention heads in GPT-2 small. Our key leverage on the problem is to show that these features are very often sparsely coded in the singular vectors of attention head matrices. We characterize the dimensionality and occurrence of these signals across the attention heads in GPT-2 small when used for the Indirect Object Identification (IOI) task. The sparse encoding of signals, as provided by attention head singular vectors, allows for efficient separation of signals from the residual background and straightforward identification of communication paths between attention heads. We explore the effectiveness of this approach by tracing portions of the circuits used in the IOI task. Our traces reveal considerable detail not present in previous studies, shedding light on the nature of redundant paths present in GPT-2. And our traces go beyond previous work by identifying features used to communicate between attention heads when performing IOI.

Mathematical reasoning in large language models (LMs) has garnered significant attention in recent work, but there is a limited understanding of how these models process and store information related to arithmetic tasks within their architecture. In order to improve our understanding of this aspect of language models, we present a mechanistic interpretation of Transformer-based LMs on arithmetic questions using a causal mediation analysis framework. By intervening on the activations of specific model components and measuring the resulting changes in predicted probabilities, we identify the subset of parameters responsible for specific predictions. This provides insights into how information related to arithmetic is processed by LMs. Our experimental results indicate that LMs process the input by transmitting the information relevant to the query from mid-sequence early layers to the final token using the attention mechanism. Then, this information is processed by a set of MLP modules, which generate result-related information that is incorporated into the residual stream. To assess the specificity of the observed activation dynamics, we compare the effects of different model components on arithmetic queries with other tasks, including number retrieval from prompts and factual knowledge questions.

Large Language Models (LLMs) excel at reasoning and planning when trained on chainof-thought (CoT) data, where the step-by-step thought process is explicitly outlined by text tokens. However, this results in lengthy inputs where many words support textual coherence rather than core reasoning information, and processing these inputs consumes substantial computation resources. In this work, we propose a hybrid representation of the reasoning process, where we partially abstract away the initial reasoning steps using latent discrete tokens generated by VQ-VAE, significantly reducing the length of reasoning traces. We explore the use of latent trace abstractions in two scenarios: 1) training the model from scratch for the Keys-Finding Maze problem, 2) fine-tuning LLMs on this hybrid data with an extended vocabulary including unseen latent tokens, for both logical and mathematical reasoning problems. To facilitate effective learning, we introduce a simple training procedure that randomly mixes latent and text tokens, which enables fast adaptation to new latent tokens. Our approach consistently outperforms the baselines methods in various benchmarks.

Linear Recurrence has proven to be a powerful tool for modeling long sequences efficiently. In this work, we show that existing models fail to take full advantage of its potential. Motivated by this finding, we develop GateLoop, a foundational sequence model that generalizes linear recurrent models such as S4, S5, LRU and RetNet, by employing data-controlled state transitions. Utilizing this theoretical advance, GateLoop empirically outperforms existing models for auto-regressive language modeling. Our method comes with a low-cost O(l) recurrent mode and an efficient O(l log_{2} l) parallel mode making use of highly optimized associative scan implementations. Furthermore, we derive an O(l^2) surrogate attention mode, revealing remarkable implications for Transformer and recently proposed architectures. Specifically, we prove that our approach can be interpreted as providing data-controlled relative-positional information to Attention. While many existing models solely rely on data-controlled cumulative sums for context aggregation, our findings suggest that incorporating data-controlled complex cumulative products may be a crucial step towards more powerful sequence models.

Most existing sequence generation models produce outputs in one pass, usually left-to-right. However, this is in contrast with a more natural approach that humans use in generating content; iterative refinement and editing. Recent work has introduced edit-based models for various tasks (such as neural machine translation and text style transfer), but these generally model a single edit step. In this work, we propose modeling editing processes, modeling the whole process of iteratively generating sequences. We form a conceptual framework to describe the likelihood of multi-step edits, and describe neural models that can learn a generative model of sequences based on these multistep edits. We introduce baseline results and metrics on this task, finding that modeling editing processes improves performance on a variety of axes on both our proposed task and related downstream tasks compared to previous single-step models of edits.

Sparsely activated models (SAMs), such as Mixture-of-Experts (MoE), can easily scale to have outrageously large amounts of parameters without significant increase in computational cost. However, SAMs are reported to be parameter inefficient such that larger models do not always lead to better performance. While most on-going research focuses on improving SAMs models by exploring methods of routing inputs to experts, our analysis reveals that such research might not lead to the solution we expect, i.e., the commonly-used routing methods based on gating mechanisms do not work better than randomly routing inputs to experts. In this paper, we propose a new expert-based model, THOR (Transformer witH StOchastic ExpeRts). Unlike classic expert-based models, such as the Switch Transformer, experts in THOR are randomly activated for each input during training and inference. THOR models are trained using a consistency regularized loss, where experts learn not only from training data but also from other experts as teachers, such that all the experts make consistent predictions. We validate the effectiveness of THOR on machine translation tasks. Results show that THOR models are more parameter efficient in that they significantly outperform the Transformer and MoE models across various settings. For example, in multilingual translation, THOR outperforms the Switch Transformer by 2 BLEU scores, and obtains the same BLEU score as that of a state-of-the-art MoE model that is 18 times larger. Our code is publicly available at: https://github.com/microsoft/Stochastic-Mixture-of-Experts.

In this paper, we introduce a novel dynamic expert selection framework for Mixture of Experts (MoE) models, aiming to enhance computational efficiency and model performance by adjusting the number of activated experts based on input difficulty. Unlike traditional MoE approaches that rely on fixed Top-K routing, which activates a predetermined number of experts regardless of the input's complexity, our method dynamically selects experts based on the confidence level in expert selection for each input. This allows for a more efficient utilization of computational resources, activating more experts for complex tasks requiring advanced reasoning and fewer for simpler tasks. Through extensive evaluations, our dynamic routing method demonstrates substantial improvements over conventional Top-2 routing across various benchmarks, achieving an average improvement of 0.7% with less than 90% activated parameters. Further analysis shows our model dispatches more experts to tasks requiring complex reasoning skills, like BBH, confirming its ability to dynamically allocate computational resources in alignment with the input's complexity. Our findings also highlight a variation in the number of experts needed across different layers of the transformer model, offering insights into the potential for designing heterogeneous MoE frameworks. The code and models are available at https://github.com/ZhenweiAn/Dynamic_MoE.

Answering multi-hop reasoning questions requires retrieving and synthesizing information from diverse sources. Large Language Models (LLMs) struggle to perform such reasoning consistently. Here we propose an approach to pinpoint and rectify multi-hop reasoning failures through targeted memory injections on LLM attention heads. First, we analyze the per-layer activations of GPT-2 models in response to single and multi-hop prompts. We then propose a mechanism that allows users to inject pertinent prompt-specific information, which we refer to as "memories," at critical LLM locations during inference. By thus enabling the LLM to incorporate additional relevant information during inference, we enhance the quality of multi-hop prompt completions. We show empirically that a simple, efficient, and targeted memory injection into a key attention layer can often increase the probability of the desired next token in multi-hop tasks, by up to 424%.

In this work, we propose sequence-level certainty as a common theme over hallucination in Knowledge Grounded Dialogue Generation (KGDG). We explore the correlation between the level of hallucination and two types of sequence-level certainty: probabilistic certainty and semantic certainty. Empirical results reveal that a higher level of both types of sequence-level certainty in model responses is correlated with a lower level of hallucination. We further propose Certainty-based Response Ranking (CRR), a decoding-time hallucination mitigation method that ranks response candidates based on their sequence-level certainty and outputs the answer with the highest certainty level. Aligning with our definitions of sequence-level certainty, we design 2 types of CRR approaches: Probabilistic CRR (P-CRR) and Semantic CRR (S-CRR). P-CRR ranks individually sampled model responses using the arithmetic mean log-probability of the entire sequence. S-CRR approaches certainty estimation from meaning-space, and ranks model response candidates based on their semantic certainty level as measured by an entailment-based Agreement Score (AS). Through extensive experiments across 3 KGDG datasets, 3 decoding methods, and 4 different models, we validate the effectiveness of the CRR methods in reducing model hallucination.

Temporal action abstractions, along with belief state representations, are a powerful knowledge sharing mechanism for sequential decision making. In this work, we propose a novel view that treats inducing temporal action abstractions as a sequence compression problem. To do so, we bring a subtle but critical component of LLM training pipelines -- input tokenization via byte pair encoding (BPE) -- to the seemingly distant task of learning skills of variable time span in continuous control domains. We introduce an approach called Primitive Sequence Encoding (PRISE) that combines continuous action quantization with BPE to learn powerful action abstractions. We empirically show that high-level skills discovered by PRISE from a multitask set of robotic manipulation demonstrations significantly boost the performance of both multitask imitation learning as well as few-shot imitation learning on unseen tasks. Our code will be released at https://github.com/FrankZheng2022/PRISE.

In-context learning (ICL) is a type of prompting where a transformer model operates on a sequence of (input, output) examples and performs inference on-the-fly. In this work, we formalize in-context learning as an algorithm learning problem where a transformer model implicitly constructs a hypothesis function at inference-time. We first explore the statistical aspects of this abstraction through the lens of multitask learning: We obtain generalization bounds for ICL when the input prompt is (1) a sequence of i.i.d. (input, label) pairs or (2) a trajectory arising from a dynamical system. The crux of our analysis is relating the excess risk to the stability of the algorithm implemented by the transformer. We characterize when transformer/attention architecture provably obeys the stability condition and also provide empirical verification. For generalization on unseen tasks, we identify an inductive bias phenomenon in which the transfer learning risk is governed by the task complexity and the number of MTL tasks in a highly predictable manner. Finally, we provide numerical evaluations that (1) demonstrate transformers can indeed implement near-optimal algorithms on classical regression problems with i.i.d. and dynamic data, (2) provide insights on stability, and (3) verify our theoretical predictions.

The remarkable capabilities of modern large language models are rooted in their vast repositories of knowledge encoded within their parameters, enabling them to perceive the world and engage in reasoning. The inner workings of how these models store knowledge have long been a subject of intense interest and investigation among researchers. To date, most studies have concentrated on isolated components within these models, such as the Multilayer Perceptrons and attention head. In this paper, we delve into the computation graph of the language model to uncover the knowledge circuits that are instrumental in articulating specific knowledge. The experiments, conducted with GPT2 and TinyLLAMA, has allowed us to observe how certain information heads, relation heads, and Multilayer Perceptrons collaboratively encode knowledge within the model. Moreover, we evaluate the impact of current knowledge editing techniques on these knowledge circuits, providing deeper insights into the functioning and constraints of these editing methodologies. Finally, we utilize knowledge circuits to analyze and interpret language model behaviors such as hallucinations and in-context learning. We believe the knowledge circuit holds potential for advancing our understanding of Transformers and guiding the improved design of knowledge editing. Code and data are available in https://github.com/zjunlp/KnowledgeCircuits.

We explore the use of expert iteration in the context of language modeling applied to formal mathematics. We show that at same compute budget, expert iteration, by which we mean proof search interleaved with learning, dramatically outperforms proof search only. We also observe that when applied to a collection of formal statements of sufficiently varied difficulty, expert iteration is capable of finding and solving a curriculum of increasingly difficult problems, without the need for associated ground-truth proofs. Finally, by applying this expert iteration to a manually curated set of problem statements, we achieve state-of-the-art on the miniF2F benchmark, automatically solving multiple challenging problems drawn from high school olympiads.

Recent methods for embodied instruction following are typically trained end-to-end using imitation learning. This often requires the use of expert trajectories and low-level language instructions. Such approaches assume that neural states will integrate multimodal semantics to perform state tracking, building spatial memory, exploration, and long-term planning. In contrast, we propose a modular method with structured representations that (1) builds a semantic map of the scene and (2) performs exploration with a semantic search policy, to achieve the natural language goal. Our modular method achieves SOTA performance (24.46 %) with a substantial (8.17 % absolute) gap from previous work while using less data by eschewing both expert trajectories and low-level instructions. Leveraging low-level language, however, can further increase our performance (26.49 %). Our findings suggest that an explicit spatial memory and a semantic search policy can provide a stronger and more general representation for state-tracking and guidance, even in the absence of expert trajectories or low-level instructions.

Aligned large language models (LLMs) demonstrate exceptional capabilities in task-solving, following instructions, and ensuring safety. However, the continual learning aspect of these aligned LLMs has been largely overlooked. Existing continual learning benchmarks lack sufficient challenge for leading aligned LLMs, owing to both their simplicity and the models' potential exposure during instruction tuning. In this paper, we introduce TRACE, a novel benchmark designed to evaluate continual learning in LLMs. TRACE consists of 8 distinct datasets spanning challenging tasks including domain-specific tasks, multilingual capabilities, code generation, and mathematical reasoning. All datasets are standardized into a unified format, allowing for effortless automatic evaluation of LLMs. Our experiments show that after training on TRACE, aligned LLMs exhibit significant declines in both general ability and instruction-following capabilities. For example, the accuracy of llama2-chat 13B on gsm8k dataset declined precipitously from 28.8\% to 2\% after training on our datasets. This highlights the challenge of finding a suitable tradeoff between achieving performance on specific tasks while preserving the original prowess of LLMs. Empirical findings suggest that tasks inherently equipped with reasoning paths contribute significantly to preserving certain capabilities of LLMs against potential declines. Motivated by this, we introduce the Reasoning-augmented Continual Learning (RCL) approach. RCL integrates task-specific cues with meta-rationales, effectively reducing catastrophic forgetting in LLMs while expediting convergence on novel tasks.

Certain statistical models are capable of interpreting input strings as instructions, or prompts, and carry out tasks based on them. Many approaches to prompting and pre-training these models involve the automated generation of these prompts. We call these approaches meta-prompting, or prompting to obtain prompts. We propose a theoretical framework based on category theory to generalize and describe them. This framework is flexible enough to account for LLM stochasticity; and allows us to obtain formal results around task agnosticity and equivalence of various meta-prompting approaches. We experiment with meta-prompting in two active areas of model research: creativity and ideation. We find that user preference favors (p < 0.01) the prompts generated under meta-prompting, as well as their corresponding outputs, over a series of hardcoded baseline prompts that include the original task prompt. Using our framework, we argue that meta-prompting is more effective than basic prompting at generating desirable outputs.

Mixture-of-Experts (MoE) enhances model performance while maintaining computational efficiency, making it well-suited for large-scale applications. However, expert in exist MoE paradigm works as an individual, thereby lacking high-quality expert interactions. Moreover, they have not been effectively extended to attention block, which constrains further efficiency improvements. To tackle these issues, we propose Union-of-Experts (UoE), which decomposes transformer into an equitant group of experts, and then implement dynamic routing on input data and experts. Our approach advances MoE design with three key innovations: (1) We conducted equitant expert decomposition on both MLP blocks and attention blocks based on matrix partition in tensor parallelism. (2) We developed two routing paradigms: patch wise data selection and expert selection, to apply routing across different levels. (3) We design the architecture of UoE model, including Selective Multi-Head Attention (SMHA) and Union-of-MLP-Experts (UoME). (4) We develop parallel implementation of UoE's routing and computation operation, and optimize efficiency based on the hardware processing analysis. The experiments demonstrate that the model employed with UoE surpass Full Attention, state-of-art MoEs and efficient transformers in several tasks across image and natural language domains. The source codes are available at https://github.com/YujiaoYang-work/UoE.

Procedural planning aims to implement complex high-level goals by decomposition into sequential simpler low-level steps. Although procedural planning is a basic skill set for humans in daily life, it remains a challenge for large language models (LLMs) that lack a deep understanding of the cause-effect relations in procedures. Previous methods require manual exemplars to acquire procedural planning knowledge from LLMs in the zero-shot setting. However, such elicited pre-trained knowledge in LLMs induces spurious correlations between goals and steps, which impair the model generalization to unseen tasks. In contrast, this paper proposes a neuro-symbolic procedural PLANner (PLAN) that elicits procedural planning knowledge from the LLMs with commonsense-infused prompting. To mitigate spurious goal-step correlations, we use symbolic program executors on the latent procedural representations to formalize prompts from commonsense knowledge bases as a causal intervention toward the Structural Causal Model. Both automatic and human evaluations on WikiHow and RobotHow show the superiority of PLAN on procedural planning without further training or manual exemplars.

Trained on vast corpora of human language, language models demonstrate emergent human-like reasoning abilities. Yet they are still far from true intelligence, which opens up intriguing opportunities to explore the parallels of humans and model behaviors. In this work, we study the ability to skip steps in reasoning - a hallmark of human expertise developed through practice. Unlike humans, who may skip steps to enhance efficiency or to reduce cognitive load, models do not inherently possess such motivations to minimize reasoning steps. To address this, we introduce a controlled framework that stimulates step-skipping behavior by iteratively refining models to generate shorter and accurate reasoning paths. Empirical results indicate that models can develop the step skipping ability under our guidance. Moreover, after fine-tuning on expanded datasets that include both complete and skipped reasoning sequences, the models can not only resolve tasks with increased efficiency without sacrificing accuracy, but also exhibit comparable and even enhanced generalization capabilities in out-of-domain scenarios. Our work presents the first exploration into human-like step-skipping ability and provides fresh perspectives on how such cognitive abilities can benefit AI models.

The ability to derive underlying principles from a handful of observations and then generalize to novel situations -- known as inductive reasoning -- is central to human intelligence. Prior work suggests that language models (LMs) often fall short on inductive reasoning, despite achieving impressive success on research benchmarks. In this work, we conduct a systematic study of the inductive reasoning capabilities of LMs through iterative hypothesis refinement, a technique that more closely mirrors the human inductive process than standard input-output prompting. Iterative hypothesis refinement employs a three-step process: proposing, selecting, and refining hypotheses in the form of textual rules. By examining the intermediate rules, we observe that LMs are phenomenal hypothesis proposers (i.e., generating candidate rules), and when coupled with a (task-specific) symbolic interpreter that is able to systematically filter the proposed set of rules, this hybrid approach achieves strong results across inductive reasoning benchmarks that require inducing causal relations, language-like instructions, and symbolic concepts. However, they also behave as puzzling inductive reasoners, showing notable performance gaps between rule induction (i.e., identifying plausible rules) and rule application (i.e., applying proposed rules to instances), suggesting that LMs are proposing hypotheses without being able to actually apply the rules. Through empirical and human analyses, we further reveal several discrepancies between the inductive reasoning processes of LMs and humans, shedding light on both the potentials and limitations of using LMs in inductive reasoning tasks.

The proliferation of large language models (LLMs) has led to the adoption of Mixture-of-Experts (MoE) architectures that dynamically leverage specialized subnetworks for improved efficiency and performance. Despite their benefits, MoE models face significant challenges during inference, including inefficient memory management and suboptimal batching, due to misaligned design choices between the model architecture and the system policies. Furthermore, the conventional approach of training MoEs from scratch is increasingly prohibitive in terms of cost. In this paper, we propose a novel framework Read-ME that transforms pre-trained dense LLMs into smaller MoE models (in contrast to "upcycling" generalist MoEs), avoiding the high costs of ground-up training. Our approach employs activation sparsity to extract experts. To compose experts, we examine the widely-adopted layer-wise router design and show its redundancy, and thus we introduce the pre-gating router decoupled from the MoE backbone that facilitates system-friendly pre-computing and lookahead scheduling, enhancing expert-aware batching and caching. Our codesign therefore addresses critical gaps on both the algorithmic and system fronts, establishing a scalable and efficient alternative for LLM inference in resource-constrained settings. Read-ME outperforms other popular open-source dense models of similar scales, achieving improvements of up to 10.1% on MMLU, and improving mean end-to-end latency up to 6.1%. Codes are available at: https://github.com/VITA-Group/READ-ME.

The ability of language models to learn a task from a few examples in context has generated substantial interest. Here, we provide a perspective that situates this type of supervised few-shot learning within a much broader spectrum of meta-learned in-context learning. Indeed, we suggest that any distribution of sequences in which context non-trivially decreases loss on subsequent predictions can be interpreted as eliciting a kind of in-context learning. We suggest that this perspective helps to unify the broad set of in-context abilities that language models exhibit x2014 such as adapting to tasks from instructions or role play, or extrapolating time series. This perspective also sheds light on potential roots of in-context learning in lower-level processing of linguistic dependencies (e.g. coreference or parallel structures). Finally, taking this perspective highlights the importance of generalization, which we suggest can be studied along several dimensions: not only the ability to learn something novel, but also flexibility in learning from different presentations, and in applying what is learned. We discuss broader connections to past literature in meta-learning and goal-conditioned agents, and other perspectives on learning and adaptation. We close by suggesting that research on in-context learning should consider this broader spectrum of in-context capabilities and types of generalization.

The remarkable success of pretrained language models has motivated the study of what kinds of knowledge these models learn during pretraining. Reformulating tasks as fill-in-the-blanks problems (e.g., cloze tests) is a natural approach for gauging such knowledge, however, its usage is limited by the manual effort and guesswork required to write suitable prompts. To address this, we develop AutoPrompt, an automated method to create prompts for a diverse set of tasks, based on a gradient-guided search. Using AutoPrompt, we show that masked language models (MLMs) have an inherent capability to perform sentiment analysis and natural language inference without additional parameters or finetuning, sometimes achieving performance on par with recent state-of-the-art supervised models. We also show that our prompts elicit more accurate factual knowledge from MLMs than the manually created prompts on the LAMA benchmark, and that MLMs can be used as relation extractors more effectively than supervised relation extraction models. These results demonstrate that automatically generated prompts are a viable parameter-free alternative to existing probing methods, and as pretrained LMs become more sophisticated and capable, potentially a replacement for finetuning.

In-context learning (ICL) is one of the most powerful and most unexpected capabilities to emerge in recent transformer-based large language models (LLMs). Yet the mechanisms that underlie it are poorly understood. In this paper, we demonstrate that comparable ICL capabilities can be acquired by an alternative sequence prediction learning method using clone-structured causal graphs (CSCGs). Moreover, a key property of CSCGs is that, unlike transformer-based LLMs, they are {\em interpretable}, which considerably simplifies the task of explaining how ICL works. Specifically, we show that it uses a combination of (a) learning template (schema) circuits for pattern completion, (b) retrieving relevant templates in a context-sensitive manner, and (c) rebinding of novel tokens to appropriate slots in the templates. We go on to marshall evidence for the hypothesis that similar mechanisms underlie ICL in LLMs. For example, we find that, with CSCGs as with LLMs, different capabilities emerge at different levels of overparameterization, suggesting that overparameterization helps in learning more complex template (schema) circuits. By showing how ICL can be achieved with small models and datasets, we open up a path to novel architectures, and take a vital step towards a more general understanding of the mechanics behind this important capability.

Large-scale sequence-to-sequence models have shown to be adept at both multiple-choice and open-domain commonsense reasoning tasks. However, the current systems do not provide the ability to control the various attributes of the reasoning chain. To enable better controllability, we propose to study the commonsense reasoning as a template filling task (TemplateCSR) -- where the language models fills reasoning templates with the given constraints as control factors. As an approach to TemplateCSR, we (i) propose a dataset of commonsense reasoning template-expansion pairs and (ii) introduce POTTER, a pretrained sequence-to-sequence model using prompts to perform commonsense reasoning across concepts. Our experiments show that our approach outperforms baselines both in generation metrics and factuality metrics. We also present a detailed error analysis on our approach's ability to reliably perform commonsense reasoning.

Despite the advancements in in-context learning (ICL) for large language models (LLMs), current research centers on specific prompt engineering, such as demonstration selection, with the expectation that a single iteration of demonstrations processing can generalize effectively to a given test sample. However, this perspective overlooks the potential benefits derived from multiple iterations involving demonstrations, a practice aligning more closely with the iterative decision-making process exhibited by humans, who often learn through analogy. In this study, we introduce a novel two-stage framework to boost ICL in LLMs. Specifically, our framework delineates the ICL process into two distinct stages: Deep-Thinking and test stages. The Deep-Thinking stage incorporates a unique attention mechanism, i.e., iterative enhanced attention, which enables multiple rounds of information accumulation. This mechanism operates by manipulating the Key-Value matrices without training, fostering enhanced understanding capabilities in LLMs by thinking demonstrations multiple times. We evaluated Deep-Thinking across a range of benchmarks and LLMs, showing its superior performance over vanilla ICL methods and its effectiveness in challenging tasks where demonstration selection is infeasible.

Sparse Mixture of Expert (SMoE) models have emerged as a scalable alternative to dense models in language modeling. These models use conditionally activated feedforward subnetworks in transformer blocks, allowing for a separation between total model parameters and per-example computation. However, large token-routed SMoE models face a significant challenge: during inference, the entire model must be used for a sequence or a batch, resulting in high latencies in a distributed setting that offsets the advantages of per-token sparse activation. Our research explores task-specific model pruning to inform decisions about designing SMoE architectures, mainly modulating the choice of expert counts in pretraining. We investigate whether such pruned models offer advantages over smaller SMoE models trained from scratch, when evaluating and comparing them individually on tasks. To that end, we introduce an adaptive task-aware pruning technique UNCURL to reduce the number of experts per MoE layer in an offline manner post-training. Our findings reveal a threshold pruning factor for the reduction that depends on the number of experts used in pretraining, above which, the reduction starts to degrade model performance. These insights contribute to our understanding of model design choices when pretraining with SMoE architectures, particularly useful when considering task-specific inference optimization for later stages.

Solving complex mathematical problems via system-2 reasoning is a natural human skill, yet it remains a significant challenge for current large language models (LLMs). We identify the scarcity of deliberate multi-step reasoning data as a primary limiting factor. To this end, we introduce Enriched Instruction Tuning (EIT), a method that enriches existing human-annotated mathematical datasets by synergizing human and AI feedback to create fine-grained reasoning trajectories. These datasets are then used to fine-tune open-source LLMs, enhancing their mathematical reasoning abilities without reliance on any symbolic verification program. Concretely, EIT is composed of two critical steps: Enriching with Reasoning Plan (ERP) and Enriching with Reasoning Step (ERS). The former generates a high-level plan that breaks down complex instructions into a sequence of simpler objectives, while ERS fills in reasoning contexts often overlooked by human annotators, creating a smoother reasoning trajectory for LLM fine-tuning. Unlike existing CoT prompting methods that generate reasoning chains only depending on LLM's internal knowledge, our method leverages human-annotated initial answers as ``meta-knowledge'' to help LLMs generate more detailed and precise reasoning processes, leading to a more trustworthy LLM expert for complex mathematical problems. In experiments, EIT achieves an accuracy of 84.1% on GSM8K and 32.5% on MATH, surpassing state-of-the-art fine-tuning and prompting methods, and even matching the performance of tool-augmented methods.

Recent works have demonstrated the effectiveness of self-alignment in which a large language model is, by itself, aligned to follow general instructions through the automatic generation of instructional data using a handful of human-written seeds. Instead of general alignment, in this work, we focus on self-alignment for expert domain specialization (e.g., biomedicine), discovering it to be very effective for improving zero-shot and few-shot performance in target domains of interest. As a preliminary, we first present the benchmark results of existing aligned models within a specialized domain, which reveals the marginal effect that "generic" instruction-following training has on downstream expert domains' performance. To remedy this, we explore self-specialization that leverages domain-specific unlabelled data and a few labeled seeds for the self-alignment process. When augmented with retrieval to reduce hallucination and enhance concurrency of the alignment, self-specialization offers an effective (and efficient) way of "carving out" an expert model out of a "generalist", pre-trained LLM where different domains of expertise are originally combined in a form of "superposition". Our experimental results on a biomedical domain show that our self-specialized model (30B) outperforms its base model, MPT-30B by a large margin and even surpasses larger popular models based on LLaMA-65B, highlighting its potential and practicality for specialization, especially considering its efficiency in terms of data and parameters.

Soft prompt tuning achieves superior performances across a wide range of few-shot tasks. However, the performances of prompt tuning can be highly sensitive to the initialization of the prompts. We also empirically observe that conventional prompt tuning methods cannot encode and learn sufficient task-relevant information from prompt tokens. In this work, we develop an information-theoretic framework that formulates soft prompt tuning as maximizing mutual information between prompts and other model parameters (or encoded representations). This novel view helps us to develop a more efficient, accurate and robust soft prompt tuning method InfoPrompt. With this framework, we develop two novel mutual information based loss functions, to (i) discover proper prompt initialization for the downstream tasks and learn sufficient task-relevant information from prompt tokens and (ii) encourage the output representation from the pretrained language model to be more aware of the task-relevant information captured in the learnt prompt. Extensive experiments validate that InfoPrompt can significantly accelerate the convergence of the prompt tuning and outperform traditional prompt tuning methods. Finally, we provide a formal theoretical result for showing to show that gradient descent type algorithm can be used to train our mutual information loss.

Understanding the connections between artificial and biological intelligent systems can reveal fundamental principles underlying general intelligence. While many artificial intelligence (AI) models have a neuroscience counterpart, such connections are largely missing in Transformer models and the self-attention mechanism. Here, we examine the relationship between attention heads and human episodic memory. We focus on the induction heads, which contribute to the in-context learning capabilities of Transformer-based large language models (LLMs). We demonstrate that induction heads are behaviorally, functionally, and mechanistically similar to the contextual maintenance and retrieval (CMR) model of human episodic memory. Our analyses of LLMs pre-trained on extensive text data show that CMR-like heads often emerge in the intermediate model layers and that their behavior qualitatively mirrors the memory biases seen in humans. Our findings uncover a parallel between the computational mechanisms of LLMs and human memory, offering valuable insights into both research fields.

Chain-of-Thought (CoT) prompting reveals that large language models are capable of performing complex reasoning via intermediate steps. CoT prompting is primarily categorized into three approaches. The first approach utilizes straightforward prompts like ``Let's think step by step'' to generate a sequential thought process before yielding an answer. The second approach makes use of human-crafted, step-by-step demonstrations to guide the model's reasoning process. The third automates the generation of reasoned demonstrations with the 'Let's think step by step'.This approach sometimes leads to reasoning errors, highlighting the need to diversify demonstrations to mitigate its misleading effects. However, diverse demonstrations pose challenges for effective representations. In this work, we propose ECHO, a self-harmonized chain-of-thought prompting method. It consolidates diverse solution paths into a uniform and effective solution pattern.ECHO demonstrates the best overall performance across three reasoning domains.

In human cognition theory, human thinking is governed by two systems: the fast and intuitive System 1 and the slower but more deliberative System 2. Recent studies have shown that incorporating System 2 process into Transformers including large language models (LLMs), significantly enhances their reasoning capabilities. Nevertheless, models that purely resemble System 2 thinking require substantially higher computational costs and are much slower to respond. To address this challenge, we present Dualformer, a single Transformer model that seamlessly integrates both the fast and slow reasoning modes. Dualformer is obtained by training on data with randomized reasoning traces, where different parts of the traces are dropped during training. The dropping strategies are specifically tailored according to the trace structure, analogous to analyzing our thinking process and creating shortcuts with patterns. At inference time, our model can be configured to output only the solutions (fast mode) or both the reasoning chain and the final solution (slow mode), or automatically decide which mode to engage (auto mode). In all cases, Dualformer outperforms the corresponding baseline models in both performance and computational efficiency: (1) in slow mode, Dualformer optimally solves unseen 30 x 30 maze navigation tasks 97.6% of the time, surpassing the Searchformer (trained on data with complete reasoning traces) baseline performance of 93.3%, while only using 45.5% fewer reasoning steps; (2) in fast mode, Dualformer completes those tasks with an 80% optimal rate, significantly outperforming the Solution-Only model (trained on solution-only data), which has an optimal rate of only 30%. For math problems, our techniques have also achieved improved performance with LLM fine-tuning, showing its generalization beyond task-specific models.

Interestingly, LLMs yet struggle with some basic tasks that humans find trivial to handle, e.g., counting the number of character r's in the word "strawberry". There are several popular conjectures (e.g., tokenization, architecture and training data) regarding the reason for deficiency of LLMs in simple word-based counting problems, sharing the similar belief that such failure stems from model pretraining hence probably inevitable during deployment. In this paper, we carefully design multiple evaluation settings to investigate validity of prevalent conjectures. Meanwhile, we measure transferability of advanced mathematical and coding reasoning capabilities from specialized LLMs to simple counting tasks. Although specialized LLMs suffer from counting problems as well, we find conjectures about inherent deficiency of LLMs invalid and further seek opportunities to elicit knowledge and capabilities from LLMs that are beneficial to counting tasks. Compared with strategies such as finetuning and in-context learning that are commonly adopted to enhance performance on new or challenging tasks, we show that engaging reasoning is the most robust and efficient way to help LLMs better perceive tasks with more accurate responses. We hope our conjecture validation design could provide insights into the study of future critical failure modes of LLMs. Based on challenges in transferring advanced capabilities to much simpler tasks, we call for more attention to model capability acquisition and evaluation. We also highlight the importance of cultivating consciousness of "reasoning before responding" during model pretraining.

Sparse Mixture of Experts (MoE) models, while outperforming dense Large Language Models (LLMs) in terms of performance, face significant deployment challenges during inference due to their high memory demands. Existing offloading techniques, which involve swapping activated and idle experts between the GPU and CPU, often suffer from rigid expert caching mechanisms. These mechanisms fail to adapt to dynamic routing, leading to inefficient cache utilization, or incur prohibitive costs for prediction training. To tackle these inference-specific challenges, we introduce ExpertFlow, a comprehensive system specifically designed to enhance inference efficiency by accommodating flexible routing and enabling efficient expert scheduling between CPU and GPU. This reduces overhead and boosts system performance. Central to our approach is a predictive routing path-based offloading mechanism that utilizes a lightweight predictor to accurately forecast routing paths before computation begins. This proactive strategy allows for real-time error correction in expert caching, significantly increasing cache hit ratios and reducing the frequency of expert transfers, thereby minimizing I/O overhead. Additionally, we implement a dynamic token scheduling strategy that optimizes MoE inference by rearranging input tokens across different batches. This method not only reduces the number of activated experts per batch but also improves computational efficiency. Our extensive experiments demonstrate that ExpertFlow achieves up to 93.72\% GPU memory savings and enhances inference speed by 2 to 10 times compared to baseline methods, highlighting its effectiveness and utility as a robust solution for resource-constrained inference scenarios.

One way to address safety risks from large language models (LLMs) is to censor dangerous knowledge from their training data. While this removes the explicit information, implicit information can remain scattered across various training documents. Could an LLM infer the censored knowledge by piecing together these implicit hints? As a step towards answering this question, we study inductive out-of-context reasoning (OOCR), a type of generalization in which LLMs infer latent information from evidence distributed across training documents and apply it to downstream tasks without in-context learning. Using a suite of five tasks, we demonstrate that frontier LLMs can perform inductive OOCR. In one experiment we finetune an LLM on a corpus consisting only of distances between an unknown city and other known cities. Remarkably, without in-context examples or Chain of Thought, the LLM can verbalize that the unknown city is Paris and use this fact to answer downstream questions. Further experiments show that LLMs trained only on individual coin flip outcomes can verbalize whether the coin is biased, and those trained only on pairs (x,f(x)) can articulate a definition of f and compute inverses. While OOCR succeeds in a range of cases, we also show that it is unreliable, particularly for smaller LLMs learning complex structures. Overall, the ability of LLMs to "connect the dots" without explicit in-context learning poses a potential obstacle to monitoring and controlling the knowledge acquired by LLMs.

AI creation, such as poem or lyrics generation, has attracted increasing attention from both industry and academic communities, with many promising models proposed in the past few years. Existing methods usually estimate the outputs based on single and independent visual or textual information. However, in reality, humans usually make creations according to their experiences, which may involve different modalities and be sequentially correlated. To model such human capabilities, in this paper, we define and solve a novel AI creation problem based on human experiences. More specifically, we study how to generate texts based on sequential multi-modal information. Compared with the previous works, this task is much more difficult because the designed model has to well understand and adapt the semantics among different modalities and effectively convert them into the output in a sequential manner. To alleviate these difficulties, we firstly design a multi-channel sequence-to-sequence architecture equipped with a multi-modal attention network. For more effective optimization, we then propose a curriculum negative sampling strategy tailored for the sequential inputs. To benchmark this problem and demonstrate the effectiveness of our model, we manually labeled a new multi-modal experience dataset. With this dataset, we conduct extensive experiments by comparing our model with a series of representative baselines, where we can demonstrate significant improvements in our model based on both automatic and human-centered metrics. The code and data are available at: https://github.com/Aman-4-Real/MMTG.

While numerous works have assessed the generative performance of language models (LMs) on tasks requiring Theory of Mind reasoning, research into the models' internal representation of mental states remains limited. Recent work has used probing to demonstrate that LMs can represent beliefs of themselves and others. However, these claims are accompanied by limited evaluation, making it difficult to assess how mental state representations are affected by model design and training choices. We report an extensive benchmark with various LM types with different model sizes, fine-tuning approaches, and prompt designs to study the robustness of mental state representations and memorisation issues within the probes. Our results show that the quality of models' internal representations of the beliefs of others increases with model size and, more crucially, with fine-tuning. We are the first to study how prompt variations impact probing performance on theory of mind tasks. We demonstrate that models' representations are sensitive to prompt variations, even when such variations should be beneficial. Finally, we complement previous activation editing experiments on Theory of Mind tasks and show that it is possible to improve models' reasoning performance by steering their activations without the need to train any probe.

Pre-trained models produce strong generic representations that can be adapted via fine-tuning. The learned weight difference relative to the pre-trained model, known as a task vector, characterises the direction and stride of fine-tuning. The significance of task vectors is such that simple arithmetic operations on them can be used to combine diverse representations from different domains. This paper builds on these properties of task vectors and aims to answer (1) whether components of task vectors, particularly parameter blocks, exhibit similar characteristics, and (2) how such blocks can be used to enhance knowledge composition and transfer. To this end, we introduce aTLAS, an algorithm that linearly combines parameter blocks with different learned coefficients, resulting in anisotropic scaling at the task vector level. We show that such linear combinations explicitly exploit the low intrinsic dimensionality of pre-trained models, with only a few coefficients being the learnable parameters. Furthermore, composition of parameter blocks leverages the already learned representations, thereby reducing the dependency on large amounts of data. We demonstrate the effectiveness of our method in task arithmetic, few-shot recognition and test-time adaptation, with supervised or unsupervised objectives. In particular, we show that (1) learned anisotropic scaling allows task vectors to be more disentangled, causing less interference in composition; (2) task vector composition excels with scarce or no labeled data and is less prone to domain shift, thus leading to better generalisability; (3) mixing the most informative parameter blocks across different task vectors prior to training can reduce the memory footprint and improve the flexibility of knowledge transfer. Moreover, we show the potential of aTLAS as a PEFT method, particularly with less data, and demonstrate that its scalibility.

Large language models (LLMs) trained on huge corpora of text datasets demonstrate intriguing capabilities, achieving state-of-the-art performance on tasks they were not explicitly trained for. The precise nature of LLM capabilities is often mysterious, and different prompts can elicit different capabilities through in-context learning. We propose a framework that enables us to analyze in-context learning dynamics to understand latent concepts underlying LLMs' behavioral patterns. This provides a more nuanced understanding than success-or-failure evaluation benchmarks, but does not require observing internal activations as a mechanistic interpretation of circuits would. Inspired by the cognitive science of human randomness perception, we use random binary sequences as context and study dynamics of in-context learning by manipulating properties of context data, such as sequence length. In the latest GPT-3.5+ models, we find emergent abilities to generate seemingly random numbers and learn basic formal languages, with striking in-context learning dynamics where model outputs transition sharply from seemingly random behaviors to deterministic repetition.

Flashcard schedulers are tools that rely on 1) student models to predict the flashcards a student knows; and 2) teaching policies to schedule cards based on these predictions. Existing student models, however, only use flashcard-level features, like the student's past responses, ignoring the semantic ties of flashcards. Deep Knowledge Tracing (DKT) models can capture semantic relations with language models, but are inefficient, lack content-rich datasets for evaluation, and require robust teaching policies. To address these issues, we design KARL, a DKT-inspired student model that uses retrieval and BERT embeddings for efficient and accurate student recall predictions. To test KARL, we collect a new dataset of diverse study history on trivia questions. KARL bests existing student models in AUC and calibration error. Finally, we propose a novel teaching policy that exploits the predictive power of DKT models to deploy KARL online. Based on 27 learners and 32 6-day study trajectories, KARL shows the ability to enhance medium-term educational learning, proving its efficacy for scheduling.

Transformer based language models exhibit intelligent behaviors such as understanding natural language, recognizing patterns, acquiring knowledge, reasoning, planning, reflecting and using tools. This paper explores how their underlying mechanics give rise to intelligent behaviors. Towards that end, we propose framing Transformer dynamics as movement through embedding space. Examining Transformers through this perspective reveals key insights, establishing a Theory of Transformers: 1) Intelligent behaviours map to paths in Embedding Space which, the Transformer random-walks through during inferencing. 2) LM training learns a probability distribution over all possible paths. `Intelligence' is learnt by assigning higher probabilities to paths representing intelligent behaviors. No learning can take place in-context; context only narrows the subset of paths sampled during decoding. 5) The Transformer is a self-mapping composition function, folding a context sequence into a context-vector such that it's proximity to a token-vector reflects its co-occurrence and conditioned probability. Thus, the physical arrangement of vectors in Embedding Space determines path probabilities. 6) Context vectors are composed by aggregating features of the sequence's tokens via a process we call the encoding walk. Attention contributes a - potentially redundant - association-bias to this process. 7) This process is comprised of two principal operation types: filtering (data independent) and aggregation (data dependent). This generalization unifies Transformers with other sequence models. Building upon this foundation, we formalize a popular semantic interpretation of embeddings into a ``concept-space theory'' and find some evidence of it's validity.

The present study introduces the knowledge-augmented generator, which is specifically designed to produce information that remains grounded in contextual knowledge, regardless of alterations in the context. Previous research has predominantly focused on examining hallucinations stemming from static input, such as in the domains of summarization or machine translation. However, our investigation delves into the faithfulness of generative question answering in the presence of dynamic knowledge. Our objective is to explore the existence of hallucinations arising from parametric memory when contextual knowledge undergoes changes, while also analyzing the underlying causes for their occurrence. In order to efficiently address this issue, we propose a straightforward yet effective measure for detecting such hallucinations. Intriguingly, our investigation uncovers that all models exhibit a tendency to generate previous answers as hallucinations. To gain deeper insights into the underlying causes of this phenomenon, we conduct a series of experiments that verify the critical role played by context in hallucination, both during training and testing, from various perspectives.

Since the advent of ChatGPT, Large Language Models (LLMs) have excelled in various tasks but remain largely as black-box systems. Consequently, their development relies heavily on data-driven approaches, limiting performance enhancement through changes in internal architecture and reasoning pathways. As a result, many researchers have begun exploring the potential internal mechanisms of LLMs, aiming to identify the essence of their reasoning bottlenecks, with most studies focusing on attention heads. Our survey aims to shed light on the internal reasoning processes of LLMs by concentrating on the interpretability and underlying mechanisms of attention heads. We first distill the human thought process into a four-stage framework: Knowledge Recalling, In-Context Identification, Latent Reasoning, and Expression Preparation. Using this framework, we systematically review existing research to identify and categorize the functions of specific attention heads. Furthermore, we summarize the experimental methodologies used to discover these special heads, dividing them into two categories: Modeling-Free methods and Modeling-Required methods. Also, we outline relevant evaluation methods and benchmarks. Finally, we discuss the limitations of current research and propose several potential future directions. Our reference list is open-sourced at https://github.com/IAAR-Shanghai/Awesome-Attention-Heads.

Prior work in parameter-modifying knowledge editing has shown that large-scale sequential editing leads to significant model degradation. In this paper, we study the reasons behind this and scale sequential knowledge editing to 10,000 sequential edits, while maintaining the downstream performance of the original model. We first show that locate-then-edit knowledge editing methods lead to overfitting on the edited facts. We also show that continuous knowledge editing using these methods leads to disproportionate growth in the norm of the edited matrix. We then provide a crucial insight into the inner workings of locate-then-edit methods. We show that norm-growth is a hidden trick employed by these methods that gives larger importance to the output activations produced from the edited layers. With this "importance hacking", the edited layers provide a much larger contributions to the model's output. To mitigate these issues, we present ENCORE - Early stopping and Norm-Constrained Robust knowledge Editing. ENCORE controls for overfitting and the disproportionate norm-growth to enable long-term sequential editing, where we are able to perform up to 10,000 sequential edits without loss of downstream performance. ENCORE is also 61% faster than MEMIT and 64% faster than AlphaEdit on Llama3-8B.

Teaching large language models (LLMs) to generate text with citations to evidence sources can mitigate hallucinations and enhance verifiability in information-seeking systems. However, improving this capability requires high-quality attribution data, which is costly and labor-intensive. Inspired by recent advances in self-improvement that enhance LLMs without manual annotation, we present START, a Self-Taught AttRibuTion framework for iteratively improving the attribution capability of LLMs. First, to prevent models from stagnating due to initially insufficient supervision signals, START leverages the model to self-construct synthetic training data for warming up. To further self-improve the model's attribution ability, START iteratively utilizes fine-grained preference supervision signals constructed from its sampled responses to encourage robust, comprehensive, and attributable generation. Experiments on three open-domain question-answering datasets, covering long-form QA and multi-step reasoning, demonstrate significant performance gains of 25.13% on average without relying on human annotations and more advanced models. Further analysis reveals that START excels in aggregating information across multiple sources.

Despite superior reasoning prowess demonstrated by Large Language Models (LLMs) with Chain-of-Thought (CoT) prompting, a lack of understanding prevails around the internal mechanisms of the models that facilitate CoT generation. This work investigates the neural sub-structures within LLMs that manifest CoT reasoning from a mechanistic point of view. From an analysis of LLaMA-2 7B applied to multistep reasoning over fictional ontologies, we demonstrate that LLMs deploy multiple parallel pathways of answer generation for step-by-step reasoning. These parallel pathways provide sequential answers from the input question context as well as the generated CoT. We observe a striking functional rift in the middle layers of the LLM. Token representations in the initial half remain strongly biased towards the pretraining prior, with the in-context taking over abruptly in the later half. This internal phase shift manifests in different functional components: attention heads that write the answer token predominantly appear in the later half, attention heads that move information along ontological relationships appear exclusively in the initial half, and so on. To the best of our knowledge, this is the first attempt towards mechanistic investigation of CoT reasoning in LLMs.

Neural networks often suffer from catastrophic interference (CI): performance on previously learned tasks drops off significantly when learning a new task. This contrasts strongly with humans, who can sequentially learn new tasks without appreciably forgetting previous tasks. Prior work has explored various techniques for mitigating CI such as regularization, rehearsal, generative replay, and distillation methods. The current work takes a different approach, one guided by cognitive science research showing that in naturalistic environments, the probability of encountering a task decreases as a power-law of the time since it was last performed. We argue that a realistic evaluation of techniques for the mitigation of CI should be performed in simulated naturalistic learning environments. Thus, we evaluate the extent of mitigation of CI when training simple rehearsal-based methods in power-law environments similar to the ones humans face. Our work explores this novel rehearsal-based approach for a domain-incremental task: learning permutations in the MNIST task. We compare our rehearsal environment with other baselines to show its efficacy in promoting continual learning. Additionally, we investigate whether this environment shows forward facilitation, i.e., faster learning of later tasks. Next, we explore the robustness of our learning environment to the number of tasks, model size, and amount of data rehearsed after each task. Notably, our results show that the performance is comparable or superior to that of models trained using popular regularization methods and also to rehearsals in non-power-law environments. The benefits of this training paradigm include simplicity and the lack of a need for extra neural circuitry. In addition, because our method is orthogonal to other methods, future research can combine training in power-law environments with other continual learning mechanisms.

To answer one-to-many factual queries (e.g., listing cities of a country), a language model (LM) must simultaneously recall knowledge and avoid repeating previous answers. How are these two subtasks implemented and integrated internally? Across multiple datasets and models, we identify a promote-then-suppress mechanism: the model first recalls all answers, and then suppresses previously generated ones. Specifically, LMs use both the subject and previous answer tokens to perform knowledge recall, with attention propagating subject information and MLPs promoting the answers. Then, attention attends to and suppresses previous answer tokens, while MLPs amplify the suppression signal. Our mechanism is corroborated by extensive experimental evidence: in addition to using early decoding and causal tracing, we analyze how components use different tokens by introducing both Token Lens, which decodes aggregated attention updates from specified tokens, and a knockout method that analyzes changes in MLP outputs after removing attention to specified tokens. Overall, we provide new insights into how LMs' internal components interact with different input tokens to support complex factual recall. Code is available at https://github.com/Lorenayannnnn/how-lms-answer-one-to-many-factual-queries.

We investigate the internal structure of language model computations using causal analysis and demonstrate two motifs: (1) a form of adaptive computation where ablations of one attention layer of a language model cause another layer to compensate (which we term the Hydra effect) and (2) a counterbalancing function of late MLP layers that act to downregulate the maximum-likelihood token. Our ablation studies demonstrate that language model layers are typically relatively loosely coupled (ablations to one layer only affect a small number of downstream layers). Surprisingly, these effects occur even in language models trained without any form of dropout. We analyse these effects in the context of factual recall and consider their implications for circuit-level attribution in language models.

We show that existing unsupervised methods on large language model (LLM) activations do not discover knowledge -- instead they seem to discover whatever feature of the activations is most prominent. The idea behind unsupervised knowledge elicitation is that knowledge satisfies a consistency structure, which can be used to discover knowledge. We first prove theoretically that arbitrary features (not just knowledge) satisfy the consistency structure of a particular leading unsupervised knowledge-elicitation method, contrast-consistent search (Burns et al. - arXiv:2212.03827). We then present a series of experiments showing settings in which unsupervised methods result in classifiers that do not predict knowledge, but instead predict a different prominent feature. We conclude that existing unsupervised methods for discovering latent knowledge are insufficient, and we contribute sanity checks to apply to evaluating future knowledge elicitation methods. Conceptually, we hypothesise that the identification issues explored here, e.g. distinguishing a model's knowledge from that of a simulated character's, will persist for future unsupervised methods.

Large language models (LMs) are able to in-context learn -- perform a new task via inference alone by conditioning on a few input-label pairs (demonstrations) and making predictions for new inputs. However, there has been little understanding of how the model learns and which aspects of the demonstrations contribute to end task performance. In this paper, we show that ground truth demonstrations are in fact not required -- randomly replacing labels in the demonstrations barely hurts performance on a range of classification and multi-choce tasks, consistently over 12 different models including GPT-3. Instead, we find that other aspects of the demonstrations are the key drivers of end task performance, including the fact that they provide a few examples of (1) the label space, (2) the distribution of the input text, and (3) the overall format of the sequence. Together, our analysis provides a new way of understanding how and why in-context learning works, while opening up new questions about how much can be learned from large language models through inference alone.

Understanding the internal computations of large language models (LLMs) is crucial for aligning them with human values and preventing undesirable behaviors like toxic content generation. However, mechanistic interpretability is hindered by polysemanticity -- where individual neurons respond to multiple, unrelated concepts. While Sparse Autoencoders (SAEs) have attempted to disentangle these features through sparse dictionary learning, they have compromised LLM performance due to reliance on post-hoc reconstruction loss. To address this issue, we introduce Mixture of Monosemantic Experts for Transformers (Monet) architecture, which incorporates sparse dictionary learning directly into end-to-end Mixture-of-Experts pretraining. Our novel expert decomposition method enables scaling the expert count to 262,144 per layer while total parameters scale proportionally to the square root of the number of experts. Our analyses demonstrate mutual exclusivity of knowledge across experts and showcase the parametric knowledge encapsulated within individual experts. Moreover, Monet allows knowledge manipulation over domains, languages, and toxicity mitigation without degrading general performance. Our pursuit of transparent LLMs highlights the potential of scaling expert counts to enhance} mechanistic interpretability and directly resect the internal knowledge to fundamentally adjust} model behavior. The source code and pretrained checkpoints are available at https://github.com/dmis-lab/Monet.

Humans can understand and produce new utterances effortlessly, thanks to their compositional skills. Once a person learns the meaning of a new verb "dax," he or she can immediately understand the meaning of "dax twice" or "sing and dax." In this paper, we introduce the SCAN domain, consisting of a set of simple compositional navigation commands paired with the corresponding action sequences. We then test the zero-shot generalization capabilities of a variety of recurrent neural networks (RNNs) trained on SCAN with sequence-to-sequence methods. We find that RNNs can make successful zero-shot generalizations when the differences between training and test commands are small, so that they can apply "mix-and-match" strategies to solve the task. However, when generalization requires systematic compositional skills (as in the "dax" example above), RNNs fail spectacularly. We conclude with a proof-of-concept experiment in neural machine translation, suggesting that lack of systematicity might be partially responsible for neural networks' notorious training data thirst.

In-context learning is a recent paradigm in natural language understanding, where a large pre-trained language model (LM) observes a test instance and a few training examples as its input, and directly decodes the output without any update to its parameters. However, performance has been shown to strongly depend on the selected training examples (termed prompt). In this work, we propose an efficient method for retrieving prompts for in-context learning using annotated data and a LM. Given an input-output pair, we estimate the probability of the output given the input and a candidate training example as the prompt, and label training examples as positive or negative based on this probability. We then train an efficient dense retriever from this data, which is used to retrieve training examples as prompts at test time. We evaluate our approach on three sequence-to-sequence tasks where language utterances are mapped to meaning representations, and find that it substantially outperforms prior work and multiple baselines across the board.

Large language models are increasingly solving tasks that are commonly believed to require human-level reasoning ability. However, these models still perform very poorly on benchmarks of general intelligence such as the Abstraction and Reasoning Corpus (ARC). In this paper, we approach ARC as a programming-by-examples problem, and introduce a novel and scalable method for language model self-improvement called Code Iteration (CodeIt). Our method iterates between 1) program sampling and hindsight relabeling, and 2) learning from prioritized experience replay. By relabeling the goal of an episode (i.e., the target program output given input) to the realized output produced by the sampled program, our method effectively deals with the extreme sparsity of rewards in program synthesis. Applying CodeIt to the ARC dataset, we demonstrate that prioritized hindsight replay, along with pre-training and data-augmentation, leads to successful inter-task generalization. CodeIt is the first neuro-symbolic approach that scales to the full ARC evaluation dataset. Our method solves 15% of ARC evaluation tasks, achieving state-of-the-art performance and outperforming existing neural and symbolic baselines.

Despite exceptional capabilities in knowledge-intensive tasks, Large Language Models (LLMs) face a critical gap in understanding how they internalize new knowledge, particularly how to structurally embed acquired knowledge in their neural computations. We address this issue through the lens of knowledge circuit evolution, identifying computational subgraphs that facilitate knowledge storage and processing. Our systematic analysis of circuit evolution throughout continual pre-training reveals several key findings: (1) the acquisition of new knowledge is influenced by its relevance to pre-existing knowledge; (2) the evolution of knowledge circuits exhibits a distinct phase shift from formation to optimization; (3) the evolution of knowledge circuits follows a deep-to-shallow pattern. These insights not only advance our theoretical understanding of the mechanisms of new knowledge acquisition in LLMs, but also provide potential implications for improving continual pre-training strategies to enhance model performance. Code and data will be available at https://github.com/zjunlp/DynamicKnowledgeCircuits.

Linear attention mechanisms have gained prominence in causal language models due to their linear computational complexity and enhanced speed. However, the inherent decay mechanism in linear attention presents challenges when applied to multi-dimensional sequence modeling tasks, such as image processing and multi-modal learning. In these scenarios, the utilization of sequential scanning to establish a global receptive field necessitates multiple scans for multi-dimensional data, thereby leading to inefficiencies. This paper identifies the inefficiency caused by a multiplicative linear recurrence and proposes an efficient alternative additive linear recurrence to avoid the issue, as it can handle multi-dimensional data within a single scan. We further develop an efficient multi-dimensional sequential modeling framework called LightNet based on the new recurrence. Moreover, we present two new multi-dimensional linear relative positional encoding methods, MD-TPE and MD-LRPE to enhance the model's ability to discern positional information in multi-dimensional scenarios. Our empirical evaluations across various tasks, including image classification, image generation, bidirectional language modeling, and autoregressive language modeling, demonstrate the efficacy of LightNet, showcasing its potential as a versatile and efficient solution for multi-dimensional sequential modeling.

Large language models (LLMs) achieve impressive performance by scaling model parameters, but this comes with significant inference overhead. Feed-forward networks (FFNs), which dominate LLM parameters, exhibit high activation sparsity in hidden neurons. To exploit this, researchers have proposed using a mixture-of-experts (MoE) architecture, where only a subset of parameters is activated. However, existing approaches often require extensive training data and resources, limiting their practicality. We propose CMoE (Carved MoE), a novel framework to efficiently carve MoE models from dense models. CMoE achieves remarkable performance through efficient expert grouping and lightweight adaptation. First, neurons are grouped into shared and routed experts based on activation rates. Next, we construct a routing mechanism without training from scratch, incorporating a differentiable routing process and load balancing. Using modest data, CMoE produces a well-designed, usable MoE from a 7B dense model within five minutes. With lightweight fine-tuning, it achieves high-performance recovery in under an hour. We make our code publicly available at https://github.com/JarvisPei/CMoE.

We present a framework for the unsupervised learning of neurosymbolic encoders, which are encoders obtained by composing neural networks with symbolic programs from a domain-specific language. Our framework naturally incorporates symbolic expert knowledge into the learning process, which leads to more interpretable and factorized latent representations compared to fully neural encoders. We integrate modern program synthesis techniques with the variational autoencoding (VAE) framework, in order to learn a neurosymbolic encoder in conjunction with a standard decoder. The programmatic descriptions from our encoders can benefit many analysis workflows, such as in behavior modeling where interpreting agent actions and movements is important. We evaluate our method on learning latent representations for real-world trajectory data from animal biology and sports analytics. We show that our approach offers significantly better separation of meaningful categories than standard VAEs and leads to practical gains on downstream analysis tasks, such as for behavior classification.

Questions of fair use of copyright-protected content to train Large Language Models (LLMs) are being very actively debated. Document-level inference has been proposed as a new task: inferring from black-box access to the trained model whether a piece of content has been seen during training. SOTA methods however rely on naturally occurring memorization of (part of) the content. While very effective against models that memorize a lot, we hypothesize--and later confirm--that they will not work against models that do not naturally memorize, e.g. medium-size 1B models. We here propose to use copyright traps, the inclusion of fictitious entries in original content, to detect the use of copyrighted materials in LLMs with a focus on models where memorization does not naturally occur. We carefully design an experimental setup, randomly inserting traps into original content (books) and train a 1.3B LLM. We first validate that the use of content in our target model would be undetectable using existing methods. We then show, contrary to intuition, that even medium-length trap sentences repeated a significant number of times (100) are not detectable using existing methods. However, we show that longer sequences repeated a large number of times can be reliably detected (AUC=0.75) and used as copyright traps. We further improve these results by studying how the number of times a sequence is seen improves detectability, how sequences with higher perplexity tend to be memorized more, and how taking context into account further improves detectability.

Recently, Chain-of-Thought (CoT) prompting has delivered success on complex reasoning tasks, which aims at designing a simple prompt like ``Let's think step by step'' or multiple in-context exemplars with well-designed rationales to elicit Large Language Models (LLMs) to generate intermediate reasoning steps. However, the generated rationales often come with mistakes, making unfactual and unfaithful reasoning chains. To mitigate this brittleness, we propose a novel Chain-of-Knowledge (CoK) prompting, where we aim at eliciting LLMs to generate explicit pieces of knowledge evidence in the form of structure triple. This is inspired by our human behaviors, i.e., we can draw a mind map or knowledge map as the reasoning evidence in the brain before answering a complex question. Benefiting from CoK, we additionally introduce a F^2-Verification method to estimate the reliability of the reasoning chains in terms of factuality and faithfulness. For the unreliable response, the wrong evidence can be indicated to prompt the LLM to rethink. Extensive experiments demonstrate that our method can further improve the performance of commonsense, factual, symbolic, and arithmetic reasoning tasks.

How do transformer-based large language models (LLMs) store and retrieve knowledge? We focus on the most basic form of this task -- factual recall, where the model is tasked with explicitly surfacing stored facts in prompts of form `Fact: The Colosseum is in the country of'. We find that the mechanistic story behind factual recall is more complex than previously thought. It comprises several distinct, independent, and qualitatively different mechanisms that additively combine, constructively interfering on the correct attribute. We term this generic phenomena the additive motif: models compute through summing up multiple independent contributions. Each mechanism's contribution may be insufficient alone, but summing results in constructive interfere on the correct answer. In addition, we extend the method of direct logit attribution to attribute an attention head's output to individual source tokens. We use this technique to unpack what we call `mixed heads' -- which are themselves a pair of two separate additive updates from different source tokens.

Transformers have achieved remarkable success across diverse domains, but their monolithic architecture presents challenges in interpretability, adaptability, and scalability. This paper introduces a novel modular Transformer architecture that explicitly decouples knowledge and reasoning through a generalized cross-attention mechanism to a globally shared knowledge base with layer-specific transformations, specifically designed for effective knowledge retrieval. Critically, we provide a rigorous mathematical derivation demonstrating that the Feed-Forward Network (FFN) in a standard Transformer is a specialized case (a closure) of this generalized cross-attention, revealing its role in implicit knowledge retrieval and validating our design. This theoretical framework provides a new lens for understanding FFNs and lays the foundation for future research exploring enhanced interpretability, adaptability, and scalability, enabling richer interplay with external knowledge bases and other systems.

Neural sequence models, especially transformers, exhibit a remarkable capacity for in-context learning. They can construct new predictors from sequences of labeled examples (x, f(x)) presented in the input without further parameter updates. We investigate the hypothesis that transformer-based in-context learners implement standard learning algorithms implicitly, by encoding smaller models in their activations, and updating these implicit models as new examples appear in the context. Using linear regression as a prototypical problem, we offer three sources of evidence for this hypothesis. First, we prove by construction that transformers can implement learning algorithms for linear models based on gradient descent and closed-form ridge regression. Second, we show that trained in-context learners closely match the predictors computed by gradient descent, ridge regression, and exact least-squares regression, transitioning between different predictors as transformer depth and dataset noise vary, and converging to Bayesian estimators for large widths and depths. Third, we present preliminary evidence that in-context learners share algorithmic features with these predictors: learners' late layers non-linearly encode weight vectors and moment matrices. These results suggest that in-context learning is understandable in algorithmic terms, and that (at least in the linear case) learners may rediscover standard estimation algorithms. Code and reference implementations are released at https://github.com/ekinakyurek/google-research/blob/master/incontext.

Mixture-of-experts (MoE) is gaining increasing attention due to its unique properties and remarkable performance, especially for language tasks. By sparsely activating a subset of parameters for each token, MoE architecture could increase the model size without sacrificing computational efficiency, achieving a better trade-off between performance and training costs. However, the underlying mechanism of MoE still lacks further exploration, and its modularization degree remains questionable. In this paper, we make an initial attempt to understand the inner workings of MoE-based large language models. Concretely, we comprehensively study the parametric and behavioral features of three recent MoE-based models and reveal some intriguing observations, including (1) Neurons act like fine-grained experts. (2) The router of MoE usually selects experts with larger output norms. (3) The expert diversity increases as the layer increases, while the last layer is an outlier. Based on the observations, we also provide suggestions for a broad spectrum of MoE practitioners, such as router design and expert allocation. We hope this work could shed light on future research on the MoE framework and other modular architectures. Code is available at https://github.com/kamanphoebe/Look-into-MoEs.

Transformers demonstrate impressive performance on a range of reasoning benchmarks. To evaluate the degree to which these abilities are a result of actual reasoning, existing work has focused on developing sophisticated benchmarks for behavioral studies. However, these studies do not provide insights into the internal mechanisms driving the observed capabilities. To improve our understanding of the internal mechanisms of transformers, we present a comprehensive mechanistic analysis of a transformer trained on a synthetic reasoning task. We identify a set of interpretable mechanisms the model uses to solve the task, and validate our findings using correlational and causal evidence. Our results suggest that it implements a depth-bounded recurrent mechanisms that operates in parallel and stores intermediate results in selected token positions. We anticipate that the motifs we identified in our synthetic setting can provide valuable insights into the broader operating principles of transformers and thus provide a basis for understanding more complex models.

Recently, Large Language Models (LLMs) with Mixture of Experts (MoE) layers have gained significant attention. Currently, state-of-the-art LLMs utilize this architecture. There is a substantial amount of research on how to train such models and how to select hyperparameters for this architecture. However, there is a lack of studies focusing on post-evaluation analysis of MoE layer properties. In this paper, we take a first step toward closing this gap by evaluating expert contributions on the quiz-based MMLU benchmark. We show that most experts were never activated during inference on this benchmark. Additionally, the output distribution of gating networks is much closer to uniform than sparse. Finally, we demonstrate that the average performance of some experts within the same layer varies significantly.

Large language models, such as OpenAI's ChatGPT, have demonstrated exceptional language understanding capabilities in various NLP tasks. Sparsely activated mixture-of-experts (MoE) has emerged as a promising solution for scaling models while maintaining a constant number of computational operations. Existing MoE model adopts a fixed gating network where each token is computed by the same number of experts. However, this approach contradicts our intuition that the tokens in each sequence vary in terms of their linguistic complexity and, consequently, require different computational costs. Little is discussed in prior research on the trade-off between computation per token and model performance. This paper introduces adaptive gating in MoE, a flexible training strategy that allows tokens to be processed by a variable number of experts based on expert probability distribution. The proposed framework preserves sparsity while improving training efficiency. Additionally, curriculum learning is leveraged to further reduce training time. Extensive experiments on diverse NLP tasks show that adaptive gating reduces at most 22.5% training time while maintaining inference quality. Moreover, we conduct a comprehensive analysis of the routing decisions and present our insights when adaptive gating is used.

Memory-based meta-learning is a technique for approximating Bayes-optimal predictors. Under fairly general conditions, minimizing sequential prediction error, measured by the log loss, leads to implicit meta-learning. The goal of this work is to investigate how far this interpretation can be realized by current sequence prediction models and training regimes. The focus is on piecewise stationary sources with unobserved switching-points, which arguably capture an important characteristic of natural language and action-observation sequences in partially observable environments. We show that various types of memory-based neural models, including Transformers, LSTMs, and RNNs can learn to accurately approximate known Bayes-optimal algorithms and behave as if performing Bayesian inference over the latent switching-points and the latent parameters governing the data distribution within each segment.

To correctly use in-context information, language models (LMs) must bind entities to their attributes. For example, given a context describing a "green square" and a "blue circle", LMs must bind the shapes to their respective colors. We analyze LM representations and identify the binding ID mechanism: a general mechanism for solving the binding problem, which we observe in every sufficiently large model from the Pythia and LLaMA families. Using causal interventions, we show that LMs' internal activations represent binding information by attaching binding ID vectors to corresponding entities and attributes. We further show that binding ID vectors form a continuous subspace, in which distances between binding ID vectors reflect their discernability. Overall, our results uncover interpretable strategies in LMs for representing symbolic knowledge in-context, providing a step towards understanding general in-context reasoning in large-scale LMs.

Recent advancements in large language models (LLMs) have demonstrated that progressive refinement, rather than providing a single answer, results in more accurate and thoughtful outputs. However, existing methods often rely heavily on supervision signals to evaluate previous responses, making it difficult to assess output quality in more open-ended scenarios effectively. Additionally, these methods are typically designed for specific tasks, which limits their generalization to new domains. To address these limitations, we propose Progressive Thought Refinement (PTR), a framework that enables LLMs to refine their responses progressively. PTR operates in two phases: (1) Thought data construction stage: We propose a weak and strong model collaborative selection strategy to build a high-quality progressive refinement dataset to ensure logical consistency from thought to answers, and the answers are gradually refined in each round. (2) Thought-Mask Fine-Tuning Phase: We design a training structure to mask the "thought" and adjust loss weights to encourage LLMs to refine prior thought, teaching them to implicitly understand "how to improve" rather than "what is correct." Experimental results show that PTR significantly enhances LLM performance across ten diverse tasks (avg. from 49.6% to 53.5%) without task-specific fine-tuning. Notably, in more open-ended tasks, LLMs also demonstrate substantial improvements in the quality of responses beyond mere accuracy, suggesting that PTR truly teaches LLMs to self-improve over time.

Equipped with Chain-of-Thought (CoT), Large language models (LLMs) have shown impressive reasoning ability in various downstream tasks. Even so, suffering from hallucinations and the inability to access external knowledge, LLMs often come with incorrect or unfaithful intermediate reasoning steps, especially in the context of answering knowledge-intensive tasks such as KBQA. To alleviate this issue, we propose a framework called Knowledge-Driven Chain-of-Thought (KD-CoT) to verify and modify reasoning traces in CoT via interaction with external knowledge, and thus overcome the hallucinations and error propagation. Concretely, we formulate the CoT rationale process of LLMs into a structured multi-round QA format. In each round, LLMs interact with a QA system that retrieves external knowledge and produce faithful reasoning traces based on retrieved precise answers. The structured CoT reasoning of LLMs is facilitated by our developed KBQA CoT collection, which serves as in-context learning demonstrations and can also be utilized as feedback augmentation to train a robust retriever. Extensive experiments on WebQSP and ComplexWebQuestion datasets demonstrate the effectiveness of proposed KD-CoT in task-solving reasoning generation, which outperforms the vanilla CoT ICL with an absolute success rate of 8.0% and 5.1%. Furthermore, our proposed feedback-augmented retriever outperforms the state-of-the-art baselines for retrieving knowledge, achieving significant improvement in Hit performance.

Prompt engineering is a challenging yet crucial task for optimizing the performance of large language models (LLMs). It requires complex reasoning to examine the model's errors, hypothesize what is missing or misleading in the current prompt, and communicate the task with clarity. While recent works indicate that LLMs can be meta-prompted to perform automatic prompt engineering, their potentials may not be fully untapped due to the lack of sufficient guidance to elicit complex reasoning capabilities in LLMs in the meta-prompt. In this work, we investigate the problem of "prompt engineering a prompt engineer" -- constructing a meta-prompt that more effectively guides LLMs to perform automatic prompt engineering. We introduce and analyze key components, such as a step-by-step reasoning template and context specification, which lead to improved performance. In addition, inspired by common optimization concepts such as batch size, step size and momentum, we introduce their verbalized counterparts to the meta-prompt and investigate their effects. Our final method, named PE2, finds a prompt that outperforms "let's think step by step" by 6.3% on the MultiArith dataset and 3.1% on the GSM8K dataset. To demonstrate its versatility, we apply PE2 to the Instruction Induction benchmark, a suite of counterfactual tasks, and a lengthy, real-world industrial prompt. In these settings, PE2 achieves strong performance and outperforms prior automatic prompt engineering baselines. Further, we show that PE2 makes meaningful and targeted prompt edits, amends erroneous or incomplete prompts, and presents non-trivial counterfactual reasoning abilities.

Humans distill complex experiences into fundamental abstractions that enable rapid learning and adaptation. Similarly, autoregressive transformers exhibit adaptive learning through in-context learning (ICL), which begs the question of how. In this paper, we propose concept encoding-decoding mechanism to explain ICL by studying how transformers form and use internal abstractions in their representations. On synthetic ICL tasks, we analyze the training dynamics of a small transformer and report the coupled emergence of concept encoding and decoding. As the model learns to encode different latent concepts (e.g., ``Finding the first noun in a sentence.") into distinct, separable representations, it concureently builds conditional decoding algorithms and improve its ICL performance. We validate the existence of this mechanism across pretrained models of varying scales (Gemma-2 2B/9B/27B, Llama-3.1 8B/70B). Further, through mechanistic interventions and controlled finetuning, we demonstrate that the quality of concept encoding is causally related and predictive of ICL performance. Our empirical insights shed light into better understanding the success and failure modes of large language models via their representations.

Chain-of-thought (CoT) reasoning has enabled large language models (LLMs) to utilize additional computation through intermediate tokens to solve complex tasks. However, we posit that typical reasoning traces contain many redundant tokens, incurring extraneous inference costs. Upon examination of the output distribution of current LLMs, we find evidence on their latent ability to reason more concisely, relative to their default behavior. To elicit this capability, we propose simple fine-tuning methods which leverage self-generated concise reasoning paths obtained by best-of-N sampling and few-shot conditioning, in task-specific settings. Our combined method achieves a 30% reduction in output tokens on average, across five model families on GSM8K and MATH, while maintaining average accuracy. By exploiting the fundamental stochasticity and in-context learning capabilities of LLMs, our self-training approach robustly elicits concise reasoning on a wide range of models, including those with extensive post-training. Code is available at https://github.com/TergelMunkhbat/concise-reasoning

Most language model pre-training frameworks concatenate multiple documents into fixed-length sequences and use causal masking to compute the likelihood of each token given its context; this strategy is widely adopted due to its simplicity and efficiency. However, to this day, the influence of the pre-training sequence composition strategy on the generalisation properties of the model remains under-explored. In this work, we find that applying causal masking can lead to the inclusion of distracting information from previous documents during pre-training, which negatively impacts the performance of the models on language modelling and downstream tasks. In intra-document causal masking, the likelihood of each token is only conditioned on the previous tokens in the same document, eliminating potential distracting information from previous documents and significantly improving performance. Furthermore, we find that concatenating related documents can reduce some potential distractions during pre-training, and our proposed efficient retrieval-based sequence construction method, BM25Chunk, can improve in-context learning (+11.6\%), knowledge memorisation (+9.8\%), and context utilisation (+7.2\%) abilities of language models without sacrificing efficiency.

Autonomous agents powered by large language models (LLMs) show significant potential for achieving high autonomy in various scenarios such as software development. Recent research has shown that LLM agents can leverage past experiences to reduce errors and enhance efficiency. However, the static experience paradigm, reliant on a fixed collection of past experiences acquired heuristically, lacks iterative refinement and thus hampers agents' adaptability. In this paper, we introduce the Iterative Experience Refinement framework, enabling LLM agents to refine experiences iteratively during task execution. We propose two fundamental patterns: the successive pattern, refining based on nearest experiences within a task batch, and the cumulative pattern, acquiring experiences across all previous task batches. Augmented with our heuristic experience elimination, the method prioritizes high-quality and frequently-used experiences, effectively managing the experience space and enhancing efficiency. Extensive experiments show that while the successive pattern may yield superior results, the cumulative pattern provides more stable performance. Moreover, experience elimination facilitates achieving better performance using just 11.54% of a high-quality subset.

While the ability of language models to elicit facts has been widely investigated, how they handle temporally changing facts remains underexplored. We discover Temporal Heads, specific attention heads primarily responsible for processing temporal knowledge through circuit analysis. We confirm that these heads are present across multiple models, though their specific locations may vary, and their responses differ depending on the type of knowledge and its corresponding years. Disabling these heads degrades the model's ability to recall time-specific knowledge while maintaining its general capabilities without compromising time-invariant and question-answering performances. Moreover, the heads are activated not only numeric conditions ("In 2004") but also textual aliases ("In the year ..."), indicating that they encode a temporal dimension beyond simple numerical representation. Furthermore, we expand the potential of our findings by demonstrating how temporal knowledge can be edited by adjusting the values of these heads.

This paper revisits the implementation of Load-balancing Loss (LBL) when training Mixture-of-Experts (MoEs) models. Specifically, LBL for MoEs is defined as N_E sum_{i=1}^{N_E} f_i p_i, where N_E is the total number of experts, f_i represents the frequency of expert i being selected, and p_i denotes the average gating score of the expert i. Existing MoE training frameworks usually employ the parallel training strategy so that f_i and the LBL are calculated within a micro-batch and then averaged across parallel groups. In essence, a micro-batch for training billion-scale LLMs normally contains very few sequences. So, the micro-batch LBL is almost at the sequence level, and the router is pushed to distribute the token evenly within each sequence. Under this strict constraint, even tokens from a domain-specific sequence (e.g., code) are uniformly routed to all experts, thereby inhibiting expert specialization. In this work, we propose calculating LBL using a global-batch to loose this constraint. Because a global-batch contains much more diverse sequences than a micro-batch, which will encourage load balance at the corpus level. Specifically, we introduce an extra communication step to synchronize f_i across micro-batches and then use it to calculate the LBL. Through experiments on training MoEs-based LLMs (up to 42.8B total parameters and 400B tokens), we surprisingly find that the global-batch LBL strategy yields excellent performance gains in both pre-training perplexity and downstream tasks. Our analysis reveals that the global-batch LBL also greatly improves the domain specialization of MoE experts.

Compositional relational reasoning (CRR) is a hallmark of human intelligence, but we lack a clear understanding of whether and how existing transformer large language models (LLMs) can solve CRR tasks. To enable systematic exploration of the CRR capability of LLMs, we first propose a new synthetic benchmark called Generalized Associative Recall (GAR) by integrating and generalizing the essence of several tasks in mechanistic interpretability (MI) study in a unified framework. Evaluation shows that GAR is challenging enough for existing LLMs, revealing their fundamental deficiency in CRR. Meanwhile, it is easy enough for systematic MI study. Then, to understand how LLMs solve GAR tasks, we use attribution patching to discover the core circuits reused by Vicuna-33B across different tasks and a set of vital attention heads. Intervention experiments show that the correct functioning of these heads significantly impacts task performance. Especially, we identify two classes of heads whose activations represent the abstract notion of true and false in GAR tasks respectively. They play a fundamental role in CRR across various models and tasks. The dataset and code are available at https://github.com/Caiyun-AI/GAR.

Large language models (LLMs) have exhibited remarkable capabilities in learning from explanations in prompts, but there has been limited understanding of exactly how these explanations function or why they are effective. This work aims to better understand the mechanisms by which explanations are used for in-context learning. We first study the impact of two different factors on the performance of prompts with explanations: the computation trace (the way the solution is decomposed) and the natural language used to express the prompt. By perturbing explanations on three controlled tasks, we show that both factors contribute to the effectiveness of explanations. We further study how to form maximally effective sets of explanations for solving a given test query. We find that LLMs can benefit from the complementarity of the explanation set: diverse reasoning skills shown by different exemplars can lead to better performance. Therefore, we propose a maximal marginal relevance-based exemplar selection approach for constructing exemplar sets that are both relevant as well as complementary, which successfully improves the in-context learning performance across three real-world tasks on multiple LLMs.

Understanding the abilities of LLMs to reason about natural language plans, such as instructional text and recipes, is critical to reliably using them in decision-making systems. A fundamental aspect of plans is the temporal order in which their steps needs to be executed, which reflects the underlying causal dependencies between them. We introduce CaT-Bench, a benchmark of Step Order Prediction questions, which test whether a step must necessarily occur before or after another in cooking recipe plans. We use this to evaluate how well frontier LLMs understand causal and temporal dependencies. We find that SOTA LLMs are underwhelming (best zero-shot is only 0.59 in F1), and are biased towards predicting dependence more often, perhaps relying on temporal order of steps as a heuristic. While prompting for explanations and using few-shot examples improve performance, the best F1 result is only 0.73. Further, human evaluation of explanations along with answer correctness show that, on average, humans do not agree with model reasoning. Surprisingly, we also find that explaining after answering leads to better performance than normal chain-of-thought prompting, and LLM answers are not consistent across questions about the same step pairs. Overall, results show that LLMs' ability to detect dependence between steps has significant room for improvement.

Hallucinations (i.e., generating plausible but inaccurate content) and laziness (i.e. excessive refusals or defaulting to "I don't know") persist as major challenges in LLM reasoning. Current efforts to reduce hallucinations primarily focus on factual errors in knowledge-grounded tasks, often neglecting hallucinations related to faulty reasoning. Meanwhile, some approaches render LLMs overly conservative, limiting their problem-solving capabilities. To mitigate hallucination and laziness in reasoning tasks, we propose Automatic Curriculum Expert Iteration (Auto-CEI) to enhance LLM reasoning and align responses to the model's capabilities--assertively answering within its limits and declining when tasks exceed them. In our method, Expert Iteration explores the reasoning trajectories near the LLM policy, guiding incorrect paths back on track to reduce compounding errors and improve robustness; it also promotes appropriate "I don't know" responses after sufficient reasoning attempts. The curriculum automatically adjusts rewards, incentivizing extended reasoning before acknowledging incapability, thereby pushing the limits of LLM reasoning and aligning its behaviour with these limits. We compare Auto-CEI with various SOTA baselines across logical reasoning, mathematics, and planning tasks, where Auto-CEI achieves superior alignment by effectively balancing assertiveness and conservativeness.

Transformers, the backbone of modern large language models (LLMs), face inherent architectural limitations that impede their reasoning capabilities. Unlike recurrent networks, Transformers lack recurrent connections, confining them to constant-depth computation. This restriction places them in the complexity class TC^0, making them theoretically incapable of solving tasks that demand increasingly deep reasoning as input length grows. Counting, a fundamental component of many reasoning tasks, also requires reasoning depth to grow linearly to be performed inductively. While previous studies have established the upper limits of counting ability in Transformer-based expert models (i.e., models specifically trained for counting tasks), these findings do not directly extend to general-purpose LLMs due to differences in reasoning mechanisms. Recent work has highlighted how Chain of Thought (CoT) reasoning can help alleviate some of the architectural limitations of Transformers in counting tasks. However, little attention has been paid to the role of tokenization in these models. Unlike expert models that often use character-level tokenization, LLMs typically rely on byte-level (BPE) tokenizers, which fundamentally alters the way reasoning is processed. Our work investigates the impact of tokenization on the counting abilities of LLMs, uncovering substantial performance variations based on input tokenization differences. We provide both theoretical and experimental analyses, offering insights into how tokenization choices can undermine models' theoretical computability, thereby inspiring the design of new tokenization methods to enhance reasoning in LLMs.

A modular design encourages neural models to disentangle and recombine different facets of knowledge to generalise more systematically to new tasks. In this work, we assume that each task is associated with a subset of latent discrete skills from a (potentially small) inventory. In turn, skills correspond to parameter-efficient (sparse / low-rank) model parameterisations. By jointly learning these and a task-skill allocation matrix, the network for each task is instantiated as the average of the parameters of active skills. To favour non-trivial soft partitions of skills across tasks, we experiment with a series of inductive biases, such as an Indian Buffet Process prior and a two-speed learning rate. We evaluate our latent-skill model on two main settings: 1) multitask reinforcement learning for grounded instruction following on 8 levels of the BabyAI platform; and 2) few-shot adaptation of pre-trained text-to-text generative models on CrossFit, a benchmark comprising 160 NLP tasks. We find that the modular design of a network significantly increases sample efficiency in reinforcement learning and few-shot generalisation in supervised learning, compared to baselines with fully shared, task-specific, or conditionally generated parameters where knowledge is entangled across tasks. In addition, we show how discrete skills help interpretability, as they yield an explicit hierarchy of tasks.

This work presents In-Context Policy Iteration, an algorithm for performing Reinforcement Learning (RL), in-context, using foundation models. While the application of foundation models to RL has received considerable attention, most approaches rely on either (1) the curation of expert demonstrations (either through manual design or task-specific pretraining) or (2) adaptation to the task of interest using gradient methods (either fine-tuning or training of adapter layers). Both of these techniques have drawbacks. Collecting demonstrations is labor-intensive, and algorithms that rely on them do not outperform the experts from which the demonstrations were derived. All gradient techniques are inherently slow, sacrificing the "few-shot" quality that made in-context learning attractive to begin with. In this work, we present an algorithm, ICPI, that learns to perform RL tasks without expert demonstrations or gradients. Instead we present a policy-iteration method in which the prompt content is the entire locus of learning. ICPI iteratively updates the contents of the prompt from which it derives its policy through trial-and-error interaction with an RL environment. In order to eliminate the role of in-weights learning (on which approaches like Decision Transformer rely heavily), we demonstrate our algorithm using Codex, a language model with no prior knowledge of the domains on which we evaluate it.

Large Language Models (LLMs) have demonstrated remarkable in-context learning (ICL) capabilities. In this study, we explore a surprising phenomenon related to ICL: LLMs can perform multiple, computationally distinct ICL tasks simultaneously, during a single inference call, a capability we term "task superposition". We provide empirical evidence of this phenomenon across various LLM families and scales and show that this phenomenon emerges even if we train the model to in-context learn one task at a time. We offer theoretical explanations that this capability is well within the expressive power of transformers. We also explore how LLMs internally compose task vectors during superposition. Furthermore, we show that larger models can solve more ICL tasks in parallel, and better calibrate their output distribution. Our findings offer insights into the latent capabilities of LLMs, further substantiate the perspective of "LLMs as superposition of simulators", and raise questions about the mechanisms enabling simultaneous task execution.

The availability of performant pre-trained models has led to a proliferation of fine-tuned expert models that are specialized to particular domains. This has enabled the creation of powerful and adaptive routing-based "Model MoErging" methods with the goal of using expert modules to create an aggregate system with improved performance or generalization. However, existing MoErging methods often prioritize generalization to unseen tasks at the expense of performance on held-in tasks, which limits its practical applicability in real-world deployment scenarios. We observe that current token-level routing mechanisms neglect the global semantic context of the input task. This token-wise independence hinders effective expert selection for held-in tasks, as routing decisions fail to incorporate the semantic properties of the task. To address this, we propose, Global and Local Instruction Driven Expert Router (GLIDER) that integrates a multi-scale routing mechanism, encompassing a semantic global router and a learned local router. The global router leverages LLM's advanced reasoning capabilities for semantic-related contexts to enhance expert selection. Given the input query and LLM, the router generates semantic task instructions that guide the retrieval of the most relevant experts across all layers. This global guidance is complemented by a local router that facilitates token-level routing decisions within each module, enabling finer control and enhanced performance on unseen tasks. Our experiments using T5-based models for T0 and FLAN tasks demonstrate that GLIDER achieves substantially improved held-in performance while maintaining strong generalization on held-out tasks. We also perform ablations experiments to dive deeper into the components of GLIDER. Our experiments highlight the importance of our multi-scale routing that leverages LLM-driven semantic reasoning for MoErging methods.

The prevalent use of large language models (LLMs) in various domains has drawn attention to the issue of "hallucination," which refers to instances where LLMs generate factually inaccurate or ungrounded information. Existing techniques for hallucination detection in language assistants rely on intricate fuzzy, specific free-language-based chain of thought (CoT) techniques or parameter-based methods that suffer from interpretability issues. Additionally, the methods that identify hallucinations post-generation could not prevent their occurrence and suffer from inconsistent performance due to the influence of the instruction format and model style. In this paper, we introduce a novel pre-detection self-evaluation technique, referred to as SELF-FAMILIARITY, which focuses on evaluating the model's familiarity with the concepts present in the input instruction and withholding the generation of response in case of unfamiliar concepts. This approach emulates the human ability to refrain from responding to unfamiliar topics, thus reducing hallucinations. We validate SELF-FAMILIARITY across four different large language models, demonstrating consistently superior performance compared to existing techniques. Our findings propose a significant shift towards preemptive strategies for hallucination mitigation in LLM assistants, promising improvements in reliability, applicability, and interpretability.

The reasoning performance of Large Language Models (LLMs) on a wide range of problems critically relies on chain-of-thought prompting, which involves providing a few chain of thought demonstrations as exemplars in prompts. Recent work, e.g., Tree of Thoughts, has pointed out the importance of exploration and self-evaluation in reasoning step selection for complex problem solving. In this paper, we present Boosting of Thoughts (BoT), an automated prompting framework for problem solving with LLMs by iteratively exploring and self-evaluating many trees of thoughts in order to acquire an ensemble of trial-and-error reasoning experiences, which will serve as a new form of prompting to solve the complex problem. Starting from a simple prompt without requiring examples, BoT iteratively explores and evaluates a large collection of reasoning steps, and more importantly, uses error analysis obtained from the LLM on them to explicitly revise prompting, which in turn enhances reasoning step generation, until a final answer is attained. Our experiments with GPT-4 and Llama2 across extensive complex mathematical problems demonstrate that BoT consistently achieves higher or comparable problem-solving rates than other advanced prompting approaches.

Chain-of-thought prompting has demonstrated remarkable performance on various natural language reasoning tasks. However, it tends to perform poorly on tasks which requires solving problems harder than the exemplars shown in the prompts. To overcome this challenge of easy-to-hard generalization, we propose a novel prompting strategy, least-to-most prompting. The key idea in this strategy is to break down a complex problem into a series of simpler subproblems and then solve them in sequence. Solving each subproblem is facilitated by the answers to previously solved subproblems. Our experimental results on tasks related to symbolic manipulation, compositional generalization, and math reasoning reveal that least-to-most prompting is capable of generalizing to more difficult problems than those seen in the prompts. A notable finding is that when the GPT-3 code-davinci-002 model is used with least-to-most prompting, it can solve the compositional generalization benchmark SCAN in any split (including length split) with an accuracy of at least 99% using just 14 exemplars, compared to only 16% accuracy with chain-of-thought prompting. This is particularly noteworthy because neural-symbolic models in the literature that specialize in solving SCAN are trained on the entire training set containing over 15,000 examples. We have included prompts for all the tasks in the Appendix.

Significant advancements has recently been achieved in the field of multi-modal large language models (MLLMs), demonstrating their remarkable capabilities in understanding and reasoning across diverse tasks. However, these models are often trained for specific tasks and rely on task-specific input-output formats, limiting their applicability to a broader range of tasks. This raises a fundamental question: Can we develop a unified approach to represent and handle different multi-modal tasks to maximize the generalizability of MLLMs? In this paper, we propose UnifiedMLLM, a comprehensive model designed to represent various tasks using a unified representation. Our model exhibits strong capabilities in comprehending the implicit intent of user instructions and preforming reasoning. In addition to generating textual responses, our model also outputs task tokens and grounding tokens, serving as indicators of task types and task granularity. These outputs are subsequently routed through the task router and directed to specific expert models for task completion. To train our model, we construct a task-specific dataset and an 100k multi-task dataset encompassing complex scenarios. Employing a three-stage training strategy, we equip our model with robust reasoning and task processing capabilities while preserving its generalization capacity and knowledge reservoir. Extensive experiments showcase the impressive performance of our unified representation approach across various tasks, surpassing existing methodologies. Furthermore, our approach exhibits exceptional scalability and generality. Our code, model, and dataset will be available at https://github.com/lzw-lzw/UnifiedMLLM.

Multimodal Large Language Models (MLLMs) have demonstrated proficiency in handling a variety of visual-language tasks. However, current MLLM benchmarks are predominantly designed to evaluate reasoning based on static information about a single image, and the ability of modern MLLMs to extrapolate from image sequences, which is essential for understanding our ever-changing world, has been less investigated. To address this challenge, this paper introduces Mementos, a new benchmark designed to assess MLLMs' sequential image reasoning abilities. Mementos features 4,761 diverse image sequences with varying lengths. We also employ a GPT-4 assisted method to evaluate MLLM reasoning performance. Through a careful evaluation of nine recent MLLMs on Mementos, including GPT-4V and Gemini, we find that they struggle to accurately describe dynamic information about given image sequences, often leading to hallucinations/misrepresentations of objects and their corresponding behaviors. Our quantitative analysis and case studies identify three key factors impacting MLLMs' sequential image reasoning: the correlation between object and behavioral hallucinations, the influence of cooccurring behaviors, and the compounding impact of behavioral hallucinations. Our dataset is available at https://github.com/umd-huang-lab/Mementos.

Sparsely Mixture of Experts (MoE) has received great interest due to its promising scaling capability with affordable computational overhead. MoE converts dense layers into sparse experts, and utilizes a gated routing network to make experts conditionally activated. However, as the number of experts grows, MoE with outrageous parameters suffers from overfitting and sparse data allocation. Such problems are especially severe on tasks with limited data, thus hindering the progress for MoE models to improve performance by scaling up. In this work, we propose Mixture of Expert Clusters - a general approach to enable expert layers to learn more diverse and appropriate knowledge by imposing variance-based constraints on the routing stage. We further propose a cluster-level expert dropout strategy specifically designed for the expert cluster structure. Our experiments reveal that MoEC could improve performance on machine translation and natural language understanding tasks, and raise the performance upper bound for scaling up experts under limited data. We also verify that MoEC plays a positive role in mitigating overfitting and sparse data allocation.

Incremental learning aims to overcome catastrophic forgetting when learning deep networks from sequential tasks. With impressive learning efficiency and performance, prompt-based methods adopt a fixed backbone to sequential tasks by learning task-specific prompts. However, existing prompt-based methods heavily rely on strong pretraining (typically trained on ImageNet-21k), and we find that their models could be trapped if the potential gap between the pretraining task and unknown future tasks is large. In this work, we develop a learnable Adaptive Prompt Generator (APG). The key is to unify the prompt retrieval and prompt learning processes into a learnable prompt generator. Hence, the whole prompting process can be optimized to reduce the negative effects of the gap between tasks effectively. To make our APG avoid learning ineffective knowledge, we maintain a knowledge pool to regularize APG with the feature distribution of each class. Extensive experiments show that our method significantly outperforms advanced methods in exemplar-free incremental learning without (strong) pretraining. Besides, under strong retraining, our method also has comparable performance to existing prompt-based models, showing that our method can still benefit from pretraining. Codes can be found at https://github.com/TOM-tym/APG

This paper presents Diffusion Forcing, a new training paradigm where a diffusion model is trained to denoise a set of tokens with independent per-token noise levels. We apply Diffusion Forcing to sequence generative modeling by training a causal next-token prediction model to generate one or several future tokens without fully diffusing past ones. Our approach is shown to combine the strengths of next-token prediction models, such as variable-length generation, with the strengths of full-sequence diffusion models, such as the ability to guide sampling to desirable trajectories. Our method offers a range of additional capabilities, such as (1) rolling-out sequences of continuous tokens, such as video, with lengths past the training horizon, where baselines diverge and (2) new sampling and guiding schemes that uniquely profit from Diffusion Forcing's variable-horizon and causal architecture, and which lead to marked performance gains in decision-making and planning tasks. In addition to its empirical success, our method is proven to optimize a variational lower bound on the likelihoods of all subsequences of tokens drawn from the true joint distribution. Project website: https://boyuan.space/diffusion-forcing/

Transformer-based Mixture-of-Experts (MoE) models have been driving several recent technological advancements in Natural Language Processing (NLP). These MoE models adopt a router mechanism to determine which experts to activate for routing input tokens. However, existing router mechanisms allocate a fixed number of experts to each token, which neglects the varying importance of different input tokens. In this study, we propose a novel dynamic router mechanism that Dynamically Allocates a variable number of experts for Mixture-of-Experts (DA-MoE) models based on an effective token importance measure. First, we show that the Transformer attention mechanism provides a natural and effective way of calculating token importance. Second, we propose a dynamic router mechanism that effectively decides the optimal number of experts (K) and allocates the top-K experts for each input token. Third, comprehensive experiments on several benchmark datasets demonstrate that our DA-MoE approach consistently outperforms the state-of-the-art Transformer based MoE model on the popular GLUE benchmark.

Sparse Mixtures of Experts (SMoE) scales model capacity without significant increases in training and inference costs, but exhibits the following two issues: (1) Low expert activation, where only a small subset of experts are activated for optimization. (2) Lacking fine-grained analytical capabilities for multiple semantic concepts within individual tokens. We propose Multi-Head Mixture-of-Experts (MH-MoE), which employs a multi-head mechanism to split each token into multiple sub-tokens. These sub-tokens are then assigned to and processed by a diverse set of experts in parallel, and seamlessly reintegrated into the original token form. The multi-head mechanism enables the model to collectively attend to information from various representation spaces within different experts, while significantly enhances expert activation, thus deepens context understanding and alleviate overfitting. Moreover, our MH-MoE is straightforward to implement and decouples from other SMoE optimization methods, making it easy to integrate with other SMoE models for enhanced performance. Extensive experimental results across three tasks: English-focused language modeling, Multi-lingual language modeling and Masked multi-modality modeling tasks, demonstrate the effectiveness of MH-MoE.

Multi-head attentive neural architectures have achieved state-of-the-art results on a variety of natural language processing tasks. Evidence has shown that they are overparameterized; attention heads can be pruned without significant performance loss. In this work, we instead "reallocate" them -- the model learns to activate different heads on different inputs. Drawing connections between multi-head attention and mixture of experts, we propose the mixture of attentive experts model (MAE). MAE is trained using a block coordinate descent algorithm that alternates between updating (1) the responsibilities of the experts and (2) their parameters. Experiments on machine translation and language modeling show that MAE outperforms strong baselines on both tasks. Particularly, on the WMT14 English to German translation dataset, MAE improves over "transformer-base" by 0.8 BLEU, with a comparable number of parameters. Our analysis shows that our model learns to specialize different experts to different inputs.

Large Language Models (LLMs) have revolutionized natural language processing and hold immense potential for advancing Artificial Intelligence. However, the core architecture of most mainstream LLMs -- the Transformer -- has inherent limitations in computational depth, rendering them theoretically incapable of solving many reasoning tasks that demand increasingly deep computations. Chain of Thought (CoT) prompting has emerged as a technique to address these architectural limitations, as evidenced by several theoretical studies. It offers a promising approach to solving complex reasoning tasks that were previously beyond the capabilities of these models. Despite its successes, CoT and its variants (such as Tree of Thought, Graph of Thought, etc.) rely on a "one-prompt-for-all" approach, using a single prompt structure (e.g., "think step by step") for a wide range of tasks -- from counting and sorting to solving mathematical and algorithmic problems. This approach poses significant challenges for models to generate the correct reasoning steps, as the model must navigate through a vast prompt template space to find the appropriate template for each task. In this work, we build upon previous theoretical analyses of CoT to demonstrate how the one-prompt-for-all approach can negatively affect the computability of LLMs. We partition the solution search space into two: the prompt space and the answer space. Our findings show that task-specific supervision is essential for navigating the prompt space accurately and achieving optimal performance. Through experiments with state-of-the-art LLMs, we reveal a gap in reasoning performance when supervision is applied versus when it is not.

Transformer models, notably large language models (LLMs), have the remarkable ability to perform in-context learning (ICL) -- to perform new tasks when prompted with unseen input-output examples without any explicit model training. In this work, we study how effectively transformers can bridge between their pretraining data mixture, comprised of multiple distinct task families, to identify and learn new tasks in-context which are both inside and outside the pretraining distribution. Building on previous work, we investigate this question in a controlled setting, where we study transformer models trained on sequences of (x, f(x)) pairs rather than natural language. Our empirical results show transformers demonstrate near-optimal unsupervised model selection capabilities, in their ability to first in-context identify different task families and in-context learn within them when the task families are well-represented in their pretraining data. However when presented with tasks or functions which are out-of-domain of their pretraining data, we demonstrate various failure modes of transformers and degradation of their generalization for even simple extrapolation tasks. Together our results highlight that the impressive ICL abilities of high-capacity sequence models may be more closely tied to the coverage of their pretraining data mixtures than inductive biases that create fundamental generalization capabilities.

Scaling the size of a model enhances its capabilities but significantly increases computation complexity. Mixture-of-Experts models (MoE) address the issue by allowing model size to scale up without substantially increasing training or inference costs. Despite their promising results, MoE models encounter several challenges. Primarily, for dynamic routing methods, the dispersion of training tokens across multiple experts can lead to underfitting, particularly for infrequent tokens. Additionally, while fixed routing methods can mitigate that issue, they compromise on the diversity of representations. In this paper, we propose MaskMoE, a method designed to enhance token-level learning by employing a routing masking technique within the Mixture-of-Experts model. MaskMoE is capable of maintaining representation diversity while achieving more comprehensive training. Experimental results demonstrate that our method outperforms previous dominant Mixture-of-Experts models in terms of both perplexity (PPL) and downstream task performance.

Reasoning is central to a wide range of intellectual activities, and while the capabilities of large language models (LLMs) continue to advance, their performance in reasoning tasks remains limited. The processes and mechanisms underlying reasoning are not yet fully understood, but key elements include path exploration, selection of relevant knowledge, and multi-step inference. Problems are solved through the synthesis of these components. In this paper, we propose a benchmark that focuses on a specific aspect of reasoning ability: the direct evaluation of multi-step inference. To this end, we design a special reasoning task where multi-step inference is specifically focused by largely eliminating path exploration and implicit knowledge utilization. Our dataset comprises pairs of explicit instructions and corresponding questions, where the procedures necessary for solving the questions are entirely detailed within the instructions. This setup allows models to solve problems solely by following the provided directives. By constructing problems that require varying numbers of steps to solve and evaluating responses at each step, we enable a thorough assessment of state-of-the-art LLMs' ability to follow instructions. To ensure the robustness of our evaluation, we include multiple distinct tasks. Furthermore, by comparing accuracy across tasks, utilizing step-aware metrics, and applying separately defined measures of complexity, we conduct experiments that offer insights into the capabilities and limitations of LLMs in reasoning tasks. Our findings have significant implications for the development of LLMs and highlight areas for future research in advancing their reasoning abilities. Our dataset is available at https://huggingface.co/datasets/ifujisawa/procbench and code at https://github.com/ifujisawa/proc-bench.

Lifelong learning (LL) is an important ability for NLP models to learn new tasks continuously. Architecture-based approaches are reported to be effective implementations for LL models. However, it is non-trivial to extend previous approaches to domain incremental LL scenarios since they either require access to task identities in the testing phase or cannot handle samples from unseen tasks. In this paper, we propose Diana: a dynamic architecture-based lifelong learning model that tries to learn a sequence of tasks with a prompt-enhanced language model. Four types of hierarchically organized prompts are used in Diana to capture knowledge from different granularities. Specifically, we dedicate task-level prompts to capture task-specific knowledge to retain high LL performances and maintain instance-level prompts to learn knowledge shared across input samples to improve the model's generalization performance. Moreover, we dedicate separate prompts to explicitly model unseen tasks and introduce a set of prompt key vectors to facilitate knowledge sharing between tasks. Extensive experiments demonstrate that Diana outperforms state-of-the-art LL models, especially in handling unseen tasks. We release the code and data at https://github.com/AlibabaResearch/DAMO-ConvAI/tree/main/diana.

Set-of-Mark (SoM) Prompting unleashes the visual grounding capability of GPT-4V, by enabling the model to associate visual objects with tags inserted on the image. These tags, marked with alphanumerics, can be indexed via text tokens for easy reference. Despite the extraordinary performance from GPT-4V, we observe that other Multimodal Large Language Models (MLLMs) struggle to understand these visual tags. To promote the learning of SoM prompting for open-source models, we propose a new learning paradigm: "list items one by one," which asks the model to enumerate and describe all visual tags placed on the image following the alphanumeric orders of tags. By integrating our curated dataset with other visual instruction tuning datasets, we are able to equip existing MLLMs with the SoM prompting ability. Furthermore, we evaluate our finetuned SoM models on five MLLM benchmarks. We find that this new dataset, even in a relatively small size (10k-30k images with tags), significantly enhances visual reasoning capabilities and reduces hallucinations for MLLMs. Perhaps surprisingly, these improvements persist even when the visual tags are omitted from input images during inference. This suggests the potential of "list items one by one" as a new paradigm for training MLLMs, which strengthens the object-text alignment through the use of visual tags in the training stage. Finally, we conduct analyses by probing trained models to understand the working mechanism of SoM. Our code and data are available at https://github.com/zzxslp/SoM-LLaVA.

In this paper, we present ContExtual Imitation Learning~(CEIL), a general and broadly applicable algorithm for imitation learning (IL). Inspired by the formulation of hindsight information matching, we derive CEIL by explicitly learning a hindsight embedding function together with a contextual policy using the hindsight embeddings. To achieve the expert matching objective for IL, we advocate for optimizing a contextual variable such that it biases the contextual policy towards mimicking expert behaviors. Beyond the typical learning from demonstrations (LfD) setting, CEIL is a generalist that can be effectively applied to multiple settings including: 1)~learning from observations (LfO), 2)~offline IL, 3)~cross-domain IL (mismatched experts), and 4) one-shot IL settings. Empirically, we evaluate CEIL on the popular MuJoCo tasks (online) and the D4RL dataset (offline). Compared to prior state-of-the-art baselines, we show that CEIL is more sample-efficient in most online IL tasks and achieves better or competitive performances in offline tasks.

Instruction tuning represents a prevalent strategy employed by Multimodal Large Language Models (MLLMs) to align with human instructions and adapt to new tasks. Nevertheless, MLLMs encounter the challenge of adapting to users' evolving knowledge and demands. Therefore, how to retain existing skills while acquiring new knowledge needs to be investigated. In this paper, we present a comprehensive benchmark, namely Continual Instruction tuNing (CoIN), to assess existing MLLMs in the sequential instruction tuning paradigm. CoIN comprises 10 commonly used datasets spanning 8 task categories, ensuring a diverse range of instructions and tasks. Besides, the trained model is evaluated from two aspects: Instruction Following and General Knowledge, which assess the alignment with human intention and knowledge preserved for reasoning, respectively. Experiments on CoIN demonstrate that current powerful MLLMs still suffer catastrophic forgetting, and the failure in intention alignment assumes the main responsibility, instead of the knowledge forgetting. To this end, we introduce MoELoRA to MLLMs which is effective to retain the previous instruction alignment. Experimental results consistently illustrate the forgetting decreased from this method on CoIN.

Traditionally, theory and practice of Cognitive Control are linked via literature reviews by human domain experts. This approach, however, is inadequate to track the ever-growing literature. It may also be biased, and yield redundancies and confusion. Here we present an alternative approach. We performed automated text analyses on a large body of scientific texts to create a joint representation of tasks and constructs. More specifically, 385,705 scientific abstracts were first mapped into an embedding space using a transformers-based language model. Document embeddings were then used to identify a task-construct graph embedding that grounds constructs on tasks and supports nuanced meaning of the constructs by taking advantage of constrained random walks in the graph. This joint task-construct graph embedding, can be queried to generate task batteries targeting specific constructs, may reveal knowledge gaps in the literature, and inspire new tasks and novel hypotheses.

Sparse mixture of experts provides larger model capacity while requiring a constant computational overhead. It employs the routing mechanism to distribute input tokens to the best-matched experts according to their hidden representations. However, learning such a routing mechanism encourages token clustering around expert centroids, implying a trend toward representation collapse. In this work, we propose to estimate the routing scores between tokens and experts on a low-dimensional hypersphere. We conduct extensive experiments on cross-lingual language model pre-training and fine-tuning on downstream tasks. Experimental results across seven multilingual benchmarks show that our method achieves consistent gains. We also present a comprehensive analysis on the representation and routing behaviors of our models. Our method alleviates the representation collapse issue and achieves more consistent routing than the baseline mixture-of-experts methods.

Representational spaces learned via language modeling are fundamental to Natural Language Processing (NLP), however there has been limited understanding regarding how and when during training various types of linguistic information emerge and interact. Leveraging a novel information theoretic probing suite, which enables direct comparisons of not just task performance, but their representational subspaces, we analyze nine tasks covering syntax, semantics and reasoning, across 2M pre-training steps and five seeds. We identify critical learning phases across tasks and time, during which subspaces emerge, share information, and later disentangle to specialize. Across these phases, syntactic knowledge is acquired rapidly after 0.5% of full training. Continued performance improvements primarily stem from the acquisition of open-domain knowledge, while semantics and reasoning tasks benefit from later boosts to long-range contextualization and higher specialization. Measuring cross-task similarity further reveals that linguistically related tasks share information throughout training, and do so more during the critical phase of learning than before or after. Our findings have implications for model interpretability, multi-task learning, and learning from limited data.

While large language models (LLMs) have demonstrated impressive capabilities across tasks in language understanding and interactive decision making, their abilities for reasoning (e.g. chain-of-thought prompting) and acting (e.g. action plan generation) have primarily been studied as separate topics. In this paper, we explore the use of LLMs to generate both reasoning traces and task-specific actions in an interleaved manner, allowing for greater synergy between the two: reasoning traces help the model induce, track, and update action plans as well as handle exceptions, while actions allow it to interface with external sources, such as knowledge bases or environments, to gather additional information. We apply our approach, named ReAct, to a diverse set of language and decision making tasks and demonstrate its effectiveness over state-of-the-art baselines, as well as improved human interpretability and trustworthiness over methods without reasoning or acting components. Concretely, on question answering (HotpotQA) and fact verification (Fever), ReAct overcomes issues of hallucination and error propagation prevalent in chain-of-thought reasoning by interacting with a simple Wikipedia API, and generates human-like task-solving trajectories that are more interpretable than baselines without reasoning traces. On two interactive decision making benchmarks (ALFWorld and WebShop), ReAct outperforms imitation and reinforcement learning methods by an absolute success rate of 34% and 10% respectively, while being prompted with only one or two in-context examples. Project site with code: https://react-lm.github.io

Prompt tuning for pre-trained masked language models (MLM) has shown promising performance in natural language processing tasks with few labeled examples. It tunes a prompt for the downstream task, and a verbalizer is used to bridge the predicted token and label prediction. Due to the limited training data, prompt initialization is crucial for prompt tuning. Recently, MetaPrompting (Hou et al., 2022) uses meta-learning to learn a shared initialization for all task-specific prompts. However, a single initialization is insufficient to obtain good prompts for all tasks and samples when the tasks are complex. Moreover, MetaPrompting requires tuning the whole MLM, causing a heavy burden on computation and memory as the MLM is usually large. To address these issues, we use a prompt pool to extract more task knowledge and construct instance-dependent prompts via attention. We further propose a novel soft verbalizer (RepVerb) which constructs label embedding from feature embeddings directly. Combining meta-learning the prompt pool and RepVerb, we propose MetaPrompter for effective structured prompting. MetaPrompter is parameter-efficient as only the pool is required to be tuned. Experimental results demonstrate that MetaPrompter performs better than the recent state-of-the-arts and RepVerb outperforms existing soft verbalizers.

Retrieval-augmented generation (RAG) offers an effective approach for addressing question answering (QA) tasks. However, the imperfections of the retrievers in RAG models often result in the retrieval of irrelevant information, which could introduce noises and degrade the performance, especially when handling multi-hop questions that require multiple steps of reasoning. To enhance the multi-hop reasoning ability of RAG models, we propose TRACE. TRACE constructs knowledge-grounded reasoning chains, which are a series of logically connected knowledge triples, to identify and integrate supporting evidence from the retrieved documents for answering questions. Specifically, TRACE employs a KG Generator to create a knowledge graph (KG) from the retrieved documents, and then uses an Autoregressive Reasoning Chain Constructor to build reasoning chains. Experimental results on three multi-hop QA datasets show that TRACE achieves an average performance improvement of up to 14.03% compared to using all the retrieved documents. Moreover, the results indicate that using reasoning chains as context, rather than the entire documents, is often sufficient to correctly answer questions.

Large-scale neural language models exhibit a remarkable capacity for in-context learning (ICL): they can infer novel functions from datasets provided as input. Most of our current understanding of when and how ICL arises comes from LMs trained on extremely simple learning problems like linear regression and associative recall. There remains a significant gap between these model problems and the "real" ICL exhibited by LMs trained on large text corpora, which involves not just retrieval and function approximation but free-form generation of language and other structured outputs. In this paper, we study ICL through the lens of a new family of model problems we term in context language learning (ICLL). In ICLL, LMs are presented with a set of strings from a formal language, and must generate additional strings from the same language. We focus on in-context learning of regular languages generated by random finite automata. We evaluate a diverse set of neural sequence models (including several RNNs, Transformers, and state-space model variants) on regular ICLL tasks, aiming to answer three questions: (1) Which model classes are empirically capable of ICLL? (2) What algorithmic solutions do successful models implement to perform ICLL? (3) What architectural changes can improve ICLL in less performant models? We first show that Transformers significantly outperform neural sequence models with recurrent or convolutional representations on ICLL tasks. Next, we provide evidence that their ability to do so relies on specialized "n-gram heads" (higher-order variants of induction heads) that compute input-conditional next-token distributions. Finally, we show that hard-wiring these heads into neural models improves performance not just on ICLL, but natural language modeling -- improving the perplexity of 340M-parameter models by up to 1.14 points (6.7%) on the SlimPajama dataset.

Augmenting large language models (LLMs) with user-specific knowledge is crucial for real-world applications, such as personal AI assistants. However, LLMs inherently lack mechanisms for prompt-driven knowledge capture. This paper investigates utilizing the existing LLM capabilities to enable prompt-driven knowledge capture, with a particular emphasis on knowledge graphs. We address this challenge by focusing on prompt-to-triple (P2T) generation. We explore three methods: zero-shot prompting, few-shot prompting, and fine-tuning, and then assess their performance via a specialized synthetic dataset. Our code and datasets are publicly available at https://github.com/HaltiaAI/paper-PTSKC.

Despite their remarkable success in language modeling, transformers trained to predict the next token in a sequence struggle with long-term planning. This limitation is particularly evident in tasks requiring foresight to plan multiple steps ahead such as maze navigation. The standard next single token prediction objective, however, offers no explicit mechanism to predict multiple steps ahead - or revisit the path taken so far. Consequently, in this work we study whether explicitly predicting multiple steps ahead (and backwards) can improve transformers' maze navigation. We train parameter-matched transformers from scratch, under identical settings, to navigate mazes of varying types and sizes with standard next token prediction and MLM-U, an objective explicitly predicting multiple steps ahead and backwards. We find that MLM-U considerably improves transformers' ability to navigate mazes compared to standard next token prediction across maze types and complexities. We also find MLM-U training is 4x more sample efficient and converges 2x faster in terms of GPU training hours relative to next token training. Finally, for more complex mazes we find MLM-U benefits from scaling to larger transformers. Remarkably, we find transformers trained with MLM-U outperform larger transformers trained with next token prediction using additional supervision from A* search traces. We hope these findings underscore the promise of learning objectives to advance transformers' capacity for long-term planning.

Language models (LMs) can be directed to perform target tasks by using labeled examples or natural language prompts. But selecting examples or writing prompts for can be challenging--especially in tasks that involve unusual edge cases, demand precise articulation of nebulous preferences, or require an accurate mental model of LM behavior. We propose to use *LMs themselves* to guide the task specification process. In this paper, we introduce **Generative Active Task Elicitation (GATE)**: a learning framework in which models elicit and infer intended behavior through free-form, language-based interaction with users. We study GATE in three domains: email validation, content recommendation, and moral reasoning. In preregistered experiments, we show that LMs prompted to perform GATE (e.g., by generating open-ended questions or synthesizing informative edge cases) elicit responses that are often more informative than user-written prompts or labels. Users report that interactive task elicitation requires less effort than prompting or example labeling and surfaces novel considerations not initially anticipated by users. Our findings suggest that LM-driven elicitation can be a powerful tool for aligning models to complex human preferences and values.

Prevailing deep models are single-purpose and overspecialize at individual tasks. However, when being extended to new tasks, they typically forget previously learned skills and learn from scratch. We address this issue by introducing SkillNet-NLU, a general-purpose model that stitches together existing skills to learn new tasks more effectively. The key feature of our approach is that it is sparsely activated guided by predefined skills. Different from traditional dense models that always activate all the model parameters, SkillNet-NLU only activates parts of the model parameters whose skills are relevant to the target task. When learning for a new task, our approach precisely activates required skills and also provides an option to add new skills. We evaluate on natural language understandings tasks and have the following findings. First, with only one model checkpoint, SkillNet-NLU performs better than task-specific fine-tuning and two multi-task learning baselines (i.e., dense model and Mixture-of-Experts model) on six tasks. Second, sparsely activated pre-training further improves the overall performance. Third, SkillNet-NLU significantly outperforms baseline systems when being extended to new tasks.

Prompt tuning has emerged as an effective rehearsal-free technique for class-incremental learning (CIL) that learns a tiny set of task-specific parameters (or prompts) to instruct a pre-trained transformer to learn on a sequence of tasks. Albeit effective, prompt tuning methods do not lend well in the multi-label class incremental learning (MLCIL) scenario (where an image contains multiple foreground classes) due to the ambiguity in selecting the correct prompt(s) corresponding to different foreground objects belonging to multiple tasks. To circumvent this issue we propose to eliminate the prompt selection mechanism by maintaining task-specific pathways, which allow us to learn representations that do not interact with the ones from the other tasks. Since independent pathways in truly incremental scenarios will result in an explosion of computation due to the quadratically complex multi-head self-attention (MSA) operation in prompt tuning, we propose to reduce the original patch token embeddings into summarized tokens. Prompt tuning is then applied to these fewer summarized tokens to compute the final representation. Our proposed method Multi-Label class incremental learning via summarising pAtch tokeN Embeddings (MULTI-LANE) enables learning disentangled task-specific representations in MLCIL while ensuring fast inference. We conduct experiments in common benchmarks and demonstrate that our MULTI-LANE achieves a new state-of-the-art in MLCIL. Additionally, we show that MULTI-LANE is also competitive in the CIL setting. Source code available at https://github.com/tdemin16/multi-lane

Large multi-modal models (LMMs) exhibit remarkable performance across numerous tasks. However, generalist LMMs often suffer from performance degradation when tuned over a large collection of tasks. Recent research suggests that Mixture of Experts (MoE) architectures are useful for instruction tuning, but for LMMs of parameter size around O(50-100B), the prohibitive cost of replicating and storing the expert models severely limits the number of experts we can use. We propose Omni-SMoLA, an architecture that uses the Soft MoE approach to (softly) mix many multimodal low rank experts, and avoids introducing a significant number of new parameters compared to conventional MoE models. The core intuition here is that the large model provides a foundational backbone, while different lightweight experts residually learn specialized knowledge, either per-modality or multimodally. Extensive experiments demonstrate that the SMoLA approach helps improve the generalist performance across a broad range of generative vision-and-language tasks, achieving new SoTA generalist performance that often matches or outperforms single specialized LMM baselines, as well as new SoTA specialist performance.

Scaling high-quality tutoring remains a major challenge in education. Due to growing demand, many platforms employ novice tutors who, unlike experienced educators, struggle to address student mistakes and thus fail to seize prime learning opportunities. Our work explores the potential of large language models (LLMs) to close the novice-expert knowledge gap in remediating math mistakes. We contribute Bridge, a method that uses cognitive task analysis to translate an expert's latent thought process into a decision-making model for remediation. This involves an expert identifying (A) the student's error, (B) a remediation strategy, and (C) their intention before generating a response. We construct a dataset of 700 real tutoring conversations, annotated by experts with their decisions. We evaluate state-of-the-art LLMs on our dataset and find that the expert's decision-making model is critical for LLMs to close the gap: responses from GPT4 with expert decisions (e.g., "simplify the problem") are +76% more preferred than without. Additionally, context-sensitive decisions are critical to closing pedagogical gaps: random decisions decrease GPT4's response quality by -97% than expert decisions. Our work shows the potential of embedding expert thought processes in LLM generations to enhance their capability to bridge novice-expert knowledge gaps. Our dataset and code can be found at: https://github.com/rosewang2008/bridge.

Supervised fine-tuning (SFT) is a crucial step for large language models (LLMs), enabling them to align with human instructions and enhance their capabilities in downstream tasks. When the models are required to align with a broader range of downstream tasks, or there is a desire to notably improve the performance on a specific task, a substantial increase in fine-tuning data often emerges as the solution. However, we find that large-scale increases in instruction data can disrupt the world knowledge previously stored in the LLMs, i.e., world knowledge forgetting. In this paper, we introduce LoRAMoE to address the above challenge. The LoRAMoE is a plugin version of Mixture of Experts (MoE). The plugin form ensures the integrity of world knowledge by freezing the backbone model during the training phase. We then propose the use of localized balancing constraints to coordinate parts of experts for task utilization, meanwhile enabling other experts to fully leverage the world knowledge stored in the models. Experimental results demonstrate that LoRAMoE can reasonably coordinate experts based on data type during inference, and even dramatically increasing instruction data does not result in knowledge forgetting. Moreover, LoRAMoE provides additional benefits for the performance of downstream tasks, indicating the potential of our approach for multi-task learning.

Large language models (LLMs) are powerful AI tools that can generate and comprehend natural language text and other complex information. However, the field lacks a mathematical framework to systematically describe, compare and improve LLMs. We propose Hex a framework that clarifies key terms and concepts in LLM research, such as hallucinations, alignment, self-verification and chain-of-thought reasoning. The Hex framework offers a precise and consistent way to characterize LLMs, identify their strengths and weaknesses, and integrate new findings. Using Hex, we differentiate chain-of-thought reasoning from chain-of-thought prompting and establish the conditions under which they are equivalent. This distinction clarifies the basic assumptions behind chain-of-thought prompting and its implications for methods that use it, such as self-verification and prompt programming. Our goal is to provide a formal framework for LLMs that can help both researchers and practitioners explore new possibilities for generative AI. We do not claim to have a definitive solution, but rather a tool for opening up new research avenues. We argue that our formal definitions and results are crucial for advancing the discussion on how to build generative AI systems that are safe, reliable, fair and robust, especially in domains like healthcare and software engineering.

Generative language models often struggle with specialized or less-discussed knowledge. A potential solution is found in Retrieval-Augmented Generation (RAG) models which act like retrieving information before generating responses. In this study, we explore how the Atlas approach, a RAG model, decides between what it already knows (parametric) and what it retrieves (non-parametric). We use causal mediation analysis and controlled experiments to examine how internal representations influence information processing. Our findings disentangle the effects of parametric knowledge and the retrieved context. They indicate that in cases where the model can choose between both types of information (parametric and non-parametric), it relies more on the context than the parametric knowledge. Furthermore, the analysis investigates the computations involved in how the model uses the information from the context. We find that multiple mechanisms are active within the model and can be detected with mediation analysis: first, the decision of whether the context is relevant, and second, how the encoder computes output representations to support copying when relevant.

The generalization of language models (LMs) is undergoing active debates, contrasting their potential for general intelligence with their struggles with basic knowledge composition (e.g., reverse/transition curse). This paper uncovers the phenomenon of linear correlations in LMs during knowledge composition. For explanation, there exists a linear transformation between certain related knowledge that maps the next token prediction logits from one prompt to another, e.g., "X lives in the city of" rightarrow "X lives in the country of" for every given X. This mirrors the linearity in human knowledge composition, such as Paris rightarrow France. Our findings indicate that the linear transformation is resilient to large-scale fine-tuning, generalizing updated knowledge when aligned with real-world relationships, but causing hallucinations when it deviates. Empirical results suggest that linear correlation can serve as a potential identifier of LM's generalization. Finally, we show such linear correlations can be learned with a single feedforward network and pre-trained vocabulary representations, indicating LM generalization heavily relies on the latter.

Transformer-based large language models (LLM) have been widely used in language processing applications. However, most of them restrict the context window that permits the model to attend to every token in the inputs. Previous works in recurrent models can memorize past tokens to enable unlimited context and maintain effectiveness. However, they have "flat" memory architectures, which have limitations in selecting and filtering information. Since humans are good at learning and self-adjustment, we speculate that imitating brain memory hierarchy is beneficial for model memorization. We propose the Hierarchical Memory Transformer (HMT), a novel framework that enables and improves models' long-context processing ability by imitating human memorization behavior. Leveraging memory-augmented segment-level recurrence, we organize the memory hierarchy by preserving tokens from early input token segments, passing memory embeddings along the sequence, and recalling relevant information from history. Evaluating general language modeling (Wikitext-103, PG-19) and question-answering tasks (PubMedQA), we show that HMT steadily improves the long-context processing ability of context-constrained and long-context models. With an additional 0.5% - 2% of parameters, HMT can easily plug in and augment future LLMs to handle long context effectively. Our code is open-sourced on Github: https://github.com/OswaldHe/HMT-pytorch.

In this work, we share our experience on tele-knowledge pre-training for fault analysis, a crucial task in telecommunication applications that requires a wide range of knowledge normally found in both machine log data and product documents. To organize this knowledge from experts uniformly, we propose to create a Tele-KG (tele-knowledge graph). Using this valuable data, we further propose a tele-domain language pre-training model TeleBERT and its knowledge-enhanced version, a tele-knowledge re-training model KTeleBERT. which includes effective prompt hints, adaptive numerical data encoding, and two knowledge injection paradigms. Concretely, our proposal includes two stages: first, pre-training TeleBERT on 20 million tele-related corpora, and then re-training it on 1 million causal and machine-related corpora to obtain KTeleBERT. Our evaluation on multiple tasks related to fault analysis in tele-applications, including root-cause analysis, event association prediction, and fault chain tracing, shows that pre-training a language model with tele-domain data is beneficial for downstream tasks. Moreover, the KTeleBERT re-training further improves the performance of task models, highlighting the effectiveness of incorporating diverse tele-knowledge into the model.

Large language models are able to perform a task by conditioning on a few input-output demonstrations - a paradigm known as in-context learning. We show that language models can explicitly infer an underlying task from a few demonstrations by prompting them to generate a natural language instruction that fits the examples. To explore this ability, we introduce the instruction induction challenge, compile a dataset consisting of 24 tasks, and define a novel evaluation metric based on executing the generated instruction. We discover that, to a large extent, the ability to generate instructions does indeed emerge when using a model that is both large enough and aligned to follow instructions; InstructGPT achieves 65.7% of human performance in our execution-based metric, while the original GPT-3 model reaches only 9.8% of human performance. This surprising result suggests that instruction induction might be a viable learning paradigm in and of itself, where instead of fitting a set of latent continuous parameters to the data, one searches for the best description in the natural language hypothesis space.

Despite the recent observation that large language models (LLMs) can store substantial factual knowledge, there is a limited understanding of the mechanisms of how they acquire factual knowledge through pretraining. This work addresses this gap by studying how LLMs acquire factual knowledge during pretraining. The findings reveal several important insights into the dynamics of factual knowledge acquisition during pretraining. First, counterintuitively, we observe that pretraining on more data shows no significant improvement in the model's capability to acquire and maintain factual knowledge. Next, there is a power-law relationship between training steps and forgetting of memorization and generalization of factual knowledge, and LLMs trained with duplicated training data exhibit faster forgetting. Third, training LLMs with larger batch sizes can enhance the models' robustness to forgetting. Overall, our observations suggest that factual knowledge acquisition in LLM pretraining occurs by progressively increasing the probability of factual knowledge presented in the pretraining data at each step. However, this increase is diluted by subsequent forgetting. Based on this interpretation, we demonstrate that we can provide plausible explanations for recently observed behaviors of LLMs, such as the poor performance of LLMs on long-tail knowledge and the benefits of deduplicating the pretraining corpus.

Goal-oriented generative script learning aims to generate subsequent steps to reach a particular goal, which is an essential task to assist robots or humans in performing stereotypical activities. An important aspect of this process is the ability to capture historical states visually, which provides detailed information that is not covered by text and will guide subsequent steps. Therefore, we propose a new task, Multimedia Generative Script Learning, to generate subsequent steps by tracking historical states in both text and vision modalities, as well as presenting the first benchmark containing 5,652 tasks and 79,089 multimedia steps. This task is challenging in three aspects: the multimedia challenge of capturing the visual states in images, the induction challenge of performing unseen tasks, and the diversity challenge of covering different information in individual steps. We propose to encode visual state changes through a selective multimedia encoder to address the multimedia challenge, transfer knowledge from previously observed tasks using a retrieval-augmented decoder to overcome the induction challenge, and further present distinct information at each step by optimizing a diversity-oriented contrastive learning objective. We define metrics to evaluate both generation and inductive quality. Experiment results demonstrate that our approach significantly outperforms strong baselines.

Although it is known that transformer language models (LMs) pass features from early layers to later layers, it is not well understood how this information is represented and routed by the model. By analyzing particular mechanism LMs use to accomplish this, we find that it is also used to recall items from a list, and show that this mechanism can explain an otherwise arbitrary-seeming sensitivity of the model to the order of items in the prompt. Specifically, we find that models write into low-rank subspaces of the residual stream to represent features which are then read out by specific later layers, forming low-rank communication channels between layers. By decomposing attention head weight matrices with the Singular Value Decomposition (SVD), we find that previously described interactions between heads separated by one or more layers can be predicted via analysis of their weight matrices. We show that it is possible to manipulate the internal model representations as well as edit model weights based on the mechanism we discover in order to significantly improve performance on our synthetic Laundry List task, which requires recall from a list, often improving task accuracy by over 20%. Our analysis reveals a surprisingly intricate interpretable structure learned from language model pretraining, and helps us understand why sophisticated LMs sometimes fail in simple domains, facilitating future analysis of more complex behaviors.

Neurons in large language models often exhibit polysemanticity, simultaneously encoding multiple unrelated concepts and obscuring interpretability. Instead of relying on post-hoc methods, we present MoE-X, a Mixture-of-Experts (MoE) language model designed to be intrinsically interpretable. Our approach is motivated by the observation that, in language models, wider networks with sparse activations are more likely to capture interpretable factors. However, directly training such large sparse networks is computationally prohibitive. MoE architectures offer a scalable alternative by activating only a subset of experts for any given input, inherently aligning with interpretability objectives. In MoE-X, we establish this connection by rewriting the MoE layer as an equivalent sparse, large MLP. This approach enables efficient scaling of the hidden size while maintaining sparsity. To further enhance interpretability, we enforce sparse activation within each expert and redesign the routing mechanism to prioritize experts with the highest activation sparsity. These designs ensure that only the most salient features are routed and processed by the experts. We evaluate MoE-X on chess and natural language tasks, showing that it achieves performance comparable to dense models while significantly improving interpretability. MoE-X achieves a perplexity better than GPT-2, with interpretability surpassing even sparse autoencoder (SAE)-based approaches.

The ability to learn tasks in a sequential fashion is crucial to the development of artificial intelligence. Neural networks are not, in general, capable of this and it has been widely thought that catastrophic forgetting is an inevitable feature of connectionist models. We show that it is possible to overcome this limitation and train networks that can maintain expertise on tasks which they have not experienced for a long time. Our approach remembers old tasks by selectively slowing down learning on the weights important for those tasks. We demonstrate our approach is scalable and effective by solving a set of classification tasks based on the MNIST hand written digit dataset and by learning several Atari 2600 games sequentially.

Prompt engineering is crucial for deploying LLMs but is poorly understood mathematically. We formalize LLM systems as a class of discrete stochastic dynamical systems to explore prompt engineering through the lens of control theory. We investigate the reachable set of output token sequences R_y(mathbf x_0) for which there exists a control input sequence mathbf u for each mathbf y in R_y(mathbf x_0) that steers the LLM to output mathbf y from initial state sequence mathbf x_0. We offer analytic analysis on the limitations on the controllability of self-attention in terms of reachable set, where we prove an upper bound on the reachable set of outputs R_y(mathbf x_0) as a function of the singular values of the parameter matrices. We present complementary empirical analysis on the controllability of a panel of LLMs, including Falcon-7b, Llama-7b, and Falcon-40b. Our results demonstrate a lower bound on the reachable set of outputs R_y(mathbf x_0) w.r.t. initial state sequences mathbf x_0 sampled from the Wikitext dataset. We find that the correct next Wikitext token following sequence mathbf x_0 is reachable over 97% of the time with prompts of kleq 10 tokens. We also establish that the top 75 most likely next tokens, as estimated by the LLM itself, are reachable at least 85% of the time with prompts of kleq 10 tokens. Intriguingly, short prompt sequences can dramatically alter the likelihood of specific outputs, even making the least likely tokens become the most likely ones. This control-centric analysis of LLMs demonstrates the significant and poorly understood role of input sequences in steering output probabilities, offering a foundational perspective for enhancing language model system capabilities.

Language models learn a great quantity of factual information during pretraining, and recent work localizes this information to specific model weights like mid-layer MLP weights. In this paper, we find that we can change how a fact is stored in a model by editing weights that are in a different location than where existing methods suggest that the fact is stored. This is surprising because we would expect that localizing facts to specific model parameters would tell us where to manipulate knowledge in models, and this assumption has motivated past work on model editing methods. Specifically, we show that localization conclusions from representation denoising (also known as Causal Tracing) do not provide any insight into which model MLP layer would be best to edit in order to override an existing stored fact with a new one. This finding raises questions about how past work relies on Causal Tracing to select which model layers to edit. Next, we consider several variants of the editing problem, including erasing and amplifying facts. For one of our editing problems, editing performance does relate to localization results from representation denoising, but we find that which layer we edit is a far better predictor of performance. Our results suggest, counterintuitively, that better mechanistic understanding of how pretrained language models work may not always translate to insights about how to best change their behavior. Our code is available at https://github.com/google/belief-localization

We report the presence of a simple neural mechanism that represents an input-output function as a vector within autoregressive transformer language models (LMs). Using causal mediation analysis on a diverse range of in-context-learning (ICL) tasks, we find that a small number attention heads transport a compact representation of the demonstrated task, which we call a function vector (FV). FVs are robust to changes in context, i.e., they trigger execution of the task on inputs such as zero-shot and natural text settings that do not resemble the ICL contexts from which they are collected. We test FVs across a range of tasks, models, and layers and find strong causal effects across settings in middle layers. We investigate the internal structure of FVs and find while that they often contain information that encodes the output space of the function, this information alone is not sufficient to reconstruct an FV. Finally, we test semantic vector composition in FVs, and find that to some extent they can be summed to create vectors that trigger new complex tasks. Taken together, our findings suggest that LLMs contain internal abstractions of general-purpose functions that can be invoked in a variety of contexts.

Recent popularity of Large Language Models (LLMs) has opened countless possibilities in automating numerous AI tasks by connecting LLMs to various domain-specific models or APIs, where LLMs serve as dispatchers while domain-specific models or APIs are action executors. Despite the vast numbers of domain-specific models/APIs, they still struggle to comprehensively cover super diverse automation demands in the interaction between human and User Interfaces (UIs). In this work, we build a multimodal model to ground natural language instructions in given UI screenshots as a generic UI task automation executor. This metadata-free grounding model, consisting of a visual encoder and a language decoder, is first pretrained on well studied document understanding tasks and then learns to decode spatial information from UI screenshots in a promptable way. To facilitate the exploitation of image-to-text pretrained knowledge, we follow the pixel-to-sequence paradigm to predict geometric coordinates in a sequence of tokens using a language decoder. We further propose an innovative Reinforcement Learning (RL) based algorithm to supervise the tokens in such sequence jointly with visually semantic metrics, which effectively strengthens the spatial decoding capability of the pixel-to-sequence paradigm. Extensive experiments demonstrate our proposed reinforced UI instruction grounding model outperforms the state-of-the-art methods by a clear margin and shows the potential as a generic UI task automation API.

Chain-of-thought (CoT) reasoning has emerged as an effective approach for activating latent capabilities in large language models (LLMs). We observe that CoT shares significant similarities with self-training in terms of their learning processes. Motivated by these parallels, this paper explores the underlying relationship between CoT and self-training, demonstrating how insights from self-training can enhance CoT performance. Specifically, our study first reveals that CoT, like self-training, follows the principle of semantic entropy minimization. Leveraging this insight, we propose a novel CoT framework that incorporates two key components: (i) a task-specific prompt module designed to guide LLMs in generating high-quality initial reasoning processes, and (ii) an adaptive reasoning iteration module for progressively refining the reasoning process.

When completing knowledge-intensive tasks, humans sometimes need not just an answer but also a corresponding reference passage for auxiliary reading. Previous methods required obtaining pre-segmented article chunks through additional retrieval models. This paper explores leveraging the parameterized knowledge stored during the pre-training phase of large language models (LLMs) to independently recall reference passage from any starting position. We propose a two-stage framework that simulates the scenario of humans recalling easily forgotten references. Initially, the LLM is prompted to recall document title identifiers to obtain a coarse-grained document set. Then, based on the acquired coarse-grained document set, it recalls fine-grained passage. In the two-stage recall process, we use constrained decoding to ensure that content outside of the stored documents is not generated. To increase speed, we only recall a short prefix in the second stage, then locate its position to retrieve a complete passage. Experiments on KILT knowledge-sensitive tasks have verified that LLMs can independently recall reference passage location in various task forms, and the obtained reference significantly assist downstream tasks.

We introduce a new domain expert mixture (DEMix) layer that enables conditioning a language model (LM) on the domain of the input text. A DEMix layer is a collection of expert feedforward networks, each specialized to a domain, that makes the LM modular: experts can be mixed, added or removed after initial training. Extensive experiments with autoregressive transformer LMs (up to 1.3B parameters) show that DEMix layers reduce test-time perplexity, increase training efficiency, and enable rapid adaptation with little overhead. We show that mixing experts during inference, using a parameter-free weighted ensemble, allows the model to better generalize to heterogeneous or unseen domains. We also show that experts can be added to iteratively incorporate new domains without forgetting older ones, and that experts can be removed to restrict access to unwanted domains, without additional training. Overall, these results demonstrate benefits of explicitly conditioning on textual domains during language modeling.

Metacognitive knowledge refers to humans' intuitive knowledge of their own thinking and reasoning processes. Today's best LLMs clearly possess some reasoning processes. The paper gives evidence that they also have metacognitive knowledge, including ability to name skills and procedures to apply given a task. We explore this primarily in context of math reasoning, developing a prompt-guided interaction procedure to get a powerful LLM to assign sensible skill labels to math questions, followed by having it perform semantic clustering to obtain coarser families of skill labels. These coarse skill labels look interpretable to humans. To validate that these skill labels are meaningful and relevant to the LLM's reasoning processes we perform the following experiments. (a) We ask GPT-4 to assign skill labels to training questions in math datasets GSM8K and MATH. (b) When using an LLM to solve the test questions, we present it with the full list of skill labels and ask it to identify the skill needed. Then it is presented with randomly selected exemplar solved questions associated with that skill label. This improves accuracy on GSM8k and MATH for several strong LLMs, including code-assisted models. The methodology presented is domain-agnostic, even though this article applies it to math problems.

Despite the recent progress in long-context language models, it remains elusive how transformer-based models exhibit the capability to retrieve relevant information from arbitrary locations within the long context. This paper aims to address this question. Our systematic investigation across a wide spectrum of models reveals that a special type of attention heads are largely responsible for retrieving information, which we dub retrieval heads. We identify intriguing properties of retrieval heads:(1) universal: all the explored models with long-context capability have a set of retrieval heads; (2) sparse: only a small portion (less than 5\%) of the attention heads are retrieval. (3) intrinsic: retrieval heads already exist in models pretrained with short context. When extending the context length by continual pretraining, it is still the same set of heads that perform information retrieval. (4) dynamically activated: take Llama-2 7B for example, 12 retrieval heads always attend to the required information no matter how the context is changed. The rest of the retrieval heads are activated in different contexts. (5) causal: completely pruning retrieval heads leads to failure in retrieving relevant information and results in hallucination, while pruning random non-retrieval heads does not affect the model's retrieval ability. We further show that retrieval heads strongly influence chain-of-thought (CoT) reasoning, where the model needs to frequently refer back the question and previously-generated context. Conversely, tasks where the model directly generates the answer using its intrinsic knowledge are less impacted by masking out retrieval heads. These observations collectively explain which internal part of the model seeks information from the input tokens. We believe our insights will foster future research on reducing hallucination, improving reasoning, and compressing the KV cache.

Modeling attention in neural multi-source sequence-to-sequence learning remains a relatively unexplored area, despite its usefulness in tasks that incorporate multiple source languages or modalities. We propose two novel approaches to combine the outputs of attention mechanisms over each source sequence, flat and hierarchical. We compare the proposed methods with existing techniques and present results of systematic evaluation of those methods on the WMT16 Multimodal Translation and Automatic Post-editing tasks. We show that the proposed methods achieve competitive results on both tasks.

The mainstream paradigm behind continual learning has been to adapt the model parameters to non-stationary data distributions, where catastrophic forgetting is the central challenge. Typical methods rely on a rehearsal buffer or known task identity at test time to retrieve learned knowledge and address forgetting, while this work presents a new paradigm for continual learning that aims to train a more succinct memory system without accessing task identity at test time. Our method learns to dynamically prompt (L2P) a pre-trained model to learn tasks sequentially under different task transitions. In our proposed framework, prompts are small learnable parameters, which are maintained in a memory space. The objective is to optimize prompts to instruct the model prediction and explicitly manage task-invariant and task-specific knowledge while maintaining model plasticity. We conduct comprehensive experiments under popular image classification benchmarks with different challenging continual learning settings, where L2P consistently outperforms prior state-of-the-art methods. Surprisingly, L2P achieves competitive results against rehearsal-based methods even without a rehearsal buffer and is directly applicable to challenging task-agnostic continual learning. Source code is available at https://github.com/google-research/l2p.

We study whether Large Language Models (LLMs) latently perform multi-hop reasoning with complex prompts such as "The mother of the singer of 'Superstition' is". We look for evidence of a latent reasoning pathway where an LLM (1) latently identifies "the singer of 'Superstition'" as Stevie Wonder, the bridge entity, and (2) uses its knowledge of Stevie Wonder's mother to complete the prompt. We analyze these two hops individually and consider their co-occurrence as indicative of latent multi-hop reasoning. For the first hop, we test if changing the prompt to indirectly mention the bridge entity instead of any other entity increases the LLM's internal recall of the bridge entity. For the second hop, we test if increasing this recall causes the LLM to better utilize what it knows about the bridge entity. We find strong evidence of latent multi-hop reasoning for the prompts of certain relation types, with the reasoning pathway used in more than 80% of the prompts. However, the utilization is highly contextual, varying across different types of prompts. Also, on average, the evidence for the second hop and the full multi-hop traversal is rather moderate and only substantial for the first hop. Moreover, we find a clear scaling trend with increasing model size for the first hop of reasoning but not for the second hop. Our experimental findings suggest potential challenges and opportunities for future development and applications of LLMs.

A fundamental skill among human developers is the ability to understand and reason about program execution. As an example, a programmer can mentally simulate code execution in natural language to debug and repair code (aka. rubber duck debugging). However, large language models (LLMs) of code are typically trained on the surface textual form of programs, thus may lack a semantic understanding of how programs execute at run-time. To address this issue, we propose NExT, a method to teach LLMs to inspect the execution traces of programs (variable states of executed lines) and reason about their run-time behavior through chain-of-thought (CoT) rationales. Specifically, NExT uses self-training to bootstrap a synthetic training set of execution-aware rationales that lead to correct task solutions (e.g., fixed programs) without laborious manual annotation. Experiments on program repair tasks based on MBPP and HumanEval demonstrate that NExT improves the fix rate of a PaLM 2 model, by 26.1% and 14.3% absolute, respectively, with significantly improved rationale quality as verified by automated metrics and human raters. Our model can also generalize to scenarios where program traces are absent at test-time.

Previous work has showcased the intriguing capability of large language models (LLMs) in retrieving facts and processing context knowledge. However, only limited research exists on the layer-wise capability of LLMs to encode knowledge, which challenges our understanding of their internal mechanisms. In this paper, we devote the first attempt to investigate the layer-wise capability of LLMs through probing tasks. We leverage the powerful generative capability of ChatGPT to construct probing datasets, providing diverse and coherent evidence corresponding to various facts. We employ mathcal V-usable information as the validation metric to better reflect the capability in encoding context knowledge across different layers. Our experiments on conflicting and newly acquired knowledge show that LLMs: (1) prefer to encode more context knowledge in the upper layers; (2) primarily encode context knowledge within knowledge-related entity tokens at lower layers while progressively expanding more knowledge within other tokens at upper layers; and (3) gradually forget the earlier context knowledge retained within the intermediate layers when provided with irrelevant evidence. Code is publicly available at https://github.com/Jometeorie/probing_llama.

Recently, there has been a widespread proliferation of "expert" language models that are specialized to a specific task or domain through parameter-efficient fine-tuning. How can we recycle large collections of expert language models to improve zero-shot generalization to unseen tasks? In this work, we propose Post-Hoc Adaptive Tokenwise Gating Over an Ocean of Specialized Experts (PHATGOOSE), which learns to route among specialized modules that were produced through parameter-efficient fine-tuning. Unlike past methods that learn to route among specialized models, PHATGOOSE explores the possibility that zero-shot generalization will be improved if different experts can be adaptively chosen for each token and at each layer in the model. Crucially, our method is post-hoc - it does not require simultaneous access to the datasets used to create the specialized models and only requires a modest amount of additional compute after each expert model is trained. In experiments covering a range of specialized model collections and zero-shot generalization benchmarks, we find that PHATGOOSE outperforms past methods for post-hoc routing and, in some cases, outperforms explicit multitask training (which requires simultaneous data access). To better understand the routing strategy learned by PHATGOOSE, we perform qualitative experiments to validate that PHATGOOSE's performance stems from its ability to make adaptive per-token and per-module expert choices. We release all of our code to support future work on improving zero-shot generalization by recycling specialized experts.

In this paper, we delve into several mechanisms employed by Transformer-based language models (LLMs) for factual recall tasks. We outline a pipeline consisting of three major steps: (1) Given a prompt ``The capital of France is,'' task-specific attention heads extract the topic token, such as ``France,'' from the context and pass it to subsequent MLPs. (2) As attention heads' outputs are aggregated with equal weight and added to the residual stream, the subsequent MLP acts as an ``activation,'' which either erases or amplifies the information originating from individual heads. As a result, the topic token ``France'' stands out in the residual stream. (3) A deep MLP takes ``France'' and generates a component that redirects the residual stream towards the direction of the correct answer, i.e., ``Paris.'' This procedure is akin to applying an implicit function such as ``get\_capital(X),'' and the argument X is the topic token information passed by attention heads. To achieve the above quantitative and qualitative analysis for MLPs, we proposed a novel analytic method aimed at decomposing the outputs of the MLP into components understandable by humans. Additionally, we observed a universal anti-overconfidence mechanism in the final layer of models, which suppresses correct predictions. We mitigate this suppression by leveraging our interpretation to improve factual recall confidence. The above interpretations are evaluated across diverse tasks spanning various domains of factual knowledge, using various language models from the GPT-2 families, 1.3B OPT, up to 7B Llama-2, and in both zero- and few-shot setups.

Chain-of-Thought(CoT) prompting and its variants explore equipping large language models (LLMs) with high-level reasoning abilities by emulating human-like linear cognition and logic. However, the human mind is complicated and mixed with both linear and nonlinear thinking. In this work, we propose Inferential Exclusion Prompting (IEP), a novel prompting that combines the principles of elimination and inference in order to guide LLMs to think non-linearly. IEP guides LLMs to plan and then utilize Natural Language Inference (NLI) to deduce each possible solution's entailment relation with context, commonsense, or facts, therefore yielding a broader perspective by thinking back for inferring. This forward planning and backward eliminating process allows IEP to better simulate the complex human thinking processes compared to other CoT-based methods, which only reflect linear cognitive processes. We conducted a series of empirical studies and have corroborated that IEP consistently outperforms CoT across various tasks. Additionally, we observe that integrating IEP and CoT further improves the LLMs' performance on certain tasks, highlighting the necessity of equipping LLMs with mixed logic processes. Moreover, to better evaluate comprehensive features inherent in human logic, we introduce Mental-Ability Reasoning Benchmark (MARB). The benchmark comprises six novel subtasks with a total of 9,115 questions, among which 1,685 are developed with hand-crafted rationale references. We believe both IEP and MARB can serve as a promising direction for unveiling LLMs' logic and verbal reasoning abilities and drive further advancements. MARB will be available at ~anonymity link soon.

Mechanistic interpretability aims to understand model behaviors in terms of specific, interpretable features, often hypothesized to manifest as low-dimensional subspaces of activations. Specifically, recent studies have explored subspace interventions (such as activation patching) as a way to simultaneously manipulate model behavior and attribute the features behind it to given subspaces. In this work, we demonstrate that these two aims diverge, potentially leading to an illusory sense of interpretability. Counterintuitively, even if a subspace intervention makes the model's output behave as if the value of a feature was changed, this effect may be achieved by activating a dormant parallel pathway leveraging another subspace that is causally disconnected from model outputs. We demonstrate this phenomenon in a distilled mathematical example, in two real-world domains (the indirect object identification task and factual recall), and present evidence for its prevalence in practice. In the context of factual recall, we further show a link to rank-1 fact editing, providing a mechanistic explanation for previous work observing an inconsistency between fact editing performance and fact localization. However, this does not imply that activation patching of subspaces is intrinsically unfit for interpretability. To contextualize our findings, we also show what a success case looks like in a task (indirect object identification) where prior manual circuit analysis informs an understanding of the location of a feature. We explore the additional evidence needed to argue that a patched subspace is faithful.

Recently, prompt-tuning has achieved promising results for specific few-shot classification tasks. The core idea of prompt-tuning is to insert text pieces (i.e., templates) into the input and transform a classification task into a masked language modeling problem. However, for relation extraction, determining an appropriate prompt template requires domain expertise, and it is cumbersome and time-consuming to obtain a suitable label word. Furthermore, there exists abundant semantic and prior knowledge among the relation labels that cannot be ignored. To this end, we focus on incorporating knowledge among relation labels into prompt-tuning for relation extraction and propose a Knowledge-aware Prompt-tuning approach with synergistic optimization (KnowPrompt). Specifically, we inject latent knowledge contained in relation labels into prompt construction with learnable virtual type words and answer words. Then, we synergistically optimize their representation with structured constraints. Extensive experimental results on five datasets with standard and low-resource settings demonstrate the effectiveness of our approach. Our code and datasets are available in https://github.com/zjunlp/KnowPrompt for reproducibility.

In the era of large language models, Mixture-of-Experts (MoE) is a promising architecture for managing computational costs when scaling up model parameters. However, conventional MoE architectures like GShard, which activate the top-K out of N experts, face challenges in ensuring expert specialization, i.e. each expert acquires non-overlapping and focused knowledge. In response, we propose the DeepSeekMoE architecture towards ultimate expert specialization. It involves two principal strategies: (1) finely segmenting the experts into mN ones and activating mK from them, allowing for a more flexible combination of activated experts; (2) isolating K_s experts as shared ones, aiming at capturing common knowledge and mitigating redundancy in routed experts. Starting from a modest scale with 2B parameters, we demonstrate that DeepSeekMoE 2B achieves comparable performance with GShard 2.9B, which has 1.5 times the expert parameters and computation. In addition, DeepSeekMoE 2B nearly approaches the performance of its dense counterpart with the same number of total parameters, which set the upper bound of MoE models. Subsequently, we scale up DeepSeekMoE to 16B parameters and show that it achieves comparable performance with LLaMA2 7B, with only about 40% of computations. Further, our preliminary efforts to scale up DeepSeekMoE to 145B parameters consistently validate its substantial advantages over the GShard architecture, and show its performance comparable with DeepSeek 67B, using only 28.5% (maybe even 18.2%) of computations.

We investigate the training of sparse layers that use different parameters for different inputs based on hashing in large Transformer models. Specifically, we modify the feedforward layer to hash to different sets of weights depending on the current token, over all tokens in the sequence. We show that this procedure either outperforms or is competitive with learning-to-route mixture-of-expert methods such as Switch Transformers and BASE Layers, while requiring no routing parameters or extra terms in the objective function such as a load balancing loss, and no sophisticated assignment algorithm. We study the performance of different hashing techniques, hash sizes and input features, and show that balanced and random hashes focused on the most local features work best, compared to either learning clusters or using longer-range context. We show our approach works well both on large language modeling and dialogue tasks, and on downstream fine-tuning tasks.

Recent work in mechanistic interpretability has shown that behaviors in language models can be successfully reverse-engineered through circuit analysis. A common criticism, however, is that each circuit is task-specific, and thus such analysis cannot contribute to understanding the models at a higher level. In this work, we present evidence that insights (both low-level findings about specific heads and higher-level findings about general algorithms) can indeed generalize across tasks. Specifically, we study the circuit discovered in Wang et al. (2022) for the Indirect Object Identification (IOI) task and 1.) show that it reproduces on a larger GPT2 model, and 2.) that it is mostly reused to solve a seemingly different task: Colored Objects (Ippolito & Callison-Burch, 2023). We provide evidence that the process underlying both tasks is functionally very similar, and contains about a 78% overlap in in-circuit attention heads. We further present a proof-of-concept intervention experiment, in which we adjust four attention heads in middle layers in order to 'repair' the Colored Objects circuit and make it behave like the IOI circuit. In doing so, we boost accuracy from 49.6% to 93.7% on the Colored Objects task and explain most sources of error. The intervention affects downstream attention heads in specific ways predicted by their interactions in the IOI circuit, indicating that this subcircuit behavior is invariant to the different task inputs. Overall, our results provide evidence that it may yet be possible to explain large language models' behavior in terms of a relatively small number of interpretable task-general algorithmic building blocks and computational components.

Recent studies have identified one aggravating factor of LLM hallucinations as the knowledge inconsistency between pre-training and fine-tuning, where unfamiliar fine-tuning data mislead the LLM to fabricate plausible but wrong outputs. In this paper, we propose a novel fine-tuning strategy called Prereq-Tune to address this knowledge inconsistency and reduce hallucinations. Fundamentally, Prereq-Tune disentangles the learning of skills and knowledge, so the model learns only the task skills without being impacted by the knowledge inconsistency. To achieve this, Prereq-Tune introduces an additional prerequisite learning stage to learn the necessary knowledge for SFT, allowing subsequent SFT to focus only on task skills. Prereq-Tune can also be combined with fictitious synthetic data to enhance the grounding of LLM outputs to their internal knowledge. Experiments show that Prereq-Tune outperforms existing baselines in improving LLM's factuality across short QA and long-form generation tasks. It also opens new possibilities for knowledge-controlled generation in LLMs. Our code is available at https://github.com/UCSB-NLP-Chang/Prereq_tune.git.

Activation steering methods were shown to be effective in conditioning language model generation by additively intervening over models' intermediate representations. However, the evaluation of these techniques has so far been limited to single conditioning properties and synthetic settings. In this work, we conduct a comprehensive evaluation of various activation steering strategies, highlighting the property-dependent nature of optimal parameters to ensure a robust effect throughout generation. To address this issue, we propose Dynamic Activation Composition, an information-theoretic approach to modulate the steering intensity of one or more properties throughout generation. Our experiments on multi-property steering show that our method successfully maintains high conditioning while minimizing the impact of conditioning on generation fluency.

In this paper, we introduce Knowledge-Orthogonal Reasoning (KOR), which minimizes the impact of domain-specific knowledge for a more accurate evaluation of models' reasoning abilities in out-of-distribution scenarios. Based on this concept, we propose the Knowledge-Orthogonal Reasoning Benchmark (KOR-Bench), encompassing five task categories: Operation, Logic, Cipher, Puzzle, and Counterfactual. KOR-Bench emphasizes the effectiveness of models in applying new rule descriptions to solve novel rule-driven questions, revealing that top-performing models like Claude-3.5-Sonnet and GPT-4o only achieve 58.96% and 58.00% accuracy, respectively. We conduct thorough analyses to identify bottlenecks in the Cipher task using Stepwise Prompting, discovering that two rounds of Self-Correction yield optimal results. Complex Task Processing evaluates model performance across three integrated tasks, while we also explore the impact of Tricks on the Puzzle task and visualize rule-focused attention to enhance our understanding of model behavior. We aim for KOR-Bench to be a valuable resource for enhancing models' reasoning capabilities and fostering further research in this field.

Retrieval-Augmented Generation (RAG) models are designed to incorporate external knowledge, reducing hallucinations caused by insufficient parametric (internal) knowledge. However, even with accurate and relevant retrieved content, RAG models can still produce hallucinations by generating outputs that conflict with the retrieved information. Detecting such hallucinations requires disentangling how Large Language Models (LLMs) utilize external and parametric knowledge. Current detection methods often focus on one of these mechanisms or without decoupling their intertwined effects, making accurate detection difficult. In this paper, we investigate the internal mechanisms behind hallucinations in RAG scenarios. We discover hallucinations occur when the Knowledge FFNs in LLMs overemphasize parametric knowledge in the residual stream, while Copying Heads fail to effectively retain or integrate external knowledge from retrieved content. Based on these findings, we propose ReDeEP, a novel method that detects hallucinations by decoupling LLM's utilization of external context and parametric knowledge. Our experiments show that ReDeEP significantly improves RAG hallucination detection accuracy. Additionally, we introduce AARF, which mitigates hallucinations by modulating the contributions of Knowledge FFNs and Copying Heads.

State-space models (SSMs) are a new class of foundation models that have emerged as a compelling alternative to Transformers and their attention mechanisms for sequence processing tasks. This paper provides a detailed theoretical analysis of selective SSMs, the core components of the Mamba and Mamba-2 architectures. We leverage the connection between selective SSMs and the self-attention mechanism to highlight the fundamental similarities between these models. Building on this connection, we establish a length independent covering number-based generalization bound for selective SSMs, providing a deeper understanding of their theoretical performance guarantees. We analyze the effects of state matrix stability and input-dependent discretization, shedding light on the critical role played by these factors in the generalization capabilities of selective SSMs. Finally, we empirically demonstrate the sequence length independence of the derived bounds on two tasks.

Traditional Mixture-of-Experts (MoE) networks benefit from utilizing multiple smaller expert models as opposed to a single large network. However, these experts typically operate independently, leaving a question open about whether interconnecting these models could enhance the performance of MoE networks. In response, we introduce GRAPHMOE, a novel method aimed at augmenting the cognitive depth of language models via a self-rethinking mechanism constructed on Pseudo GraphMoE networks. GRAPHMOE employs a recurrent routing strategy to simulate iterative thinking steps, thereby facilitating the flow of information among expert nodes. We implement the GRAPHMOE architecture using Low-Rank Adaptation techniques (LoRA) and conduct extensive experiments on various benchmark datasets. The experimental results reveal that GRAPHMOE outperforms other LoRA based models, achieving state-of-the-art (SOTA) performance. Additionally, this study explores a novel recurrent routing strategy that may inspire further advancements in enhancing the reasoning capabilities of language models.

Large Language Models (LLMs) have demonstrated remarkable capabilities in performing complex tasks. Moreover, recent research has shown that incorporating human-annotated rationales (e.g., Chain-of-Thought prompting) during in-context learning can significantly enhance the performance of these models, particularly on tasks that require reasoning capabilities. However, incorporating such rationales poses challenges in terms of scalability as this requires a high degree of human involvement. In this work, we present a novel framework, Amplifying Model Performance by Leveraging In-Context Learning with Post Hoc Explanations (AMPLIFY), which addresses the aforementioned challenges by automating the process of rationale generation. To this end, we leverage post hoc explanation methods which output attribution scores (explanations) capturing the influence of each of the input features on model predictions. More specifically, we construct automated natural language rationales that embed insights from post hoc explanations to provide corrective signals to LLMs. Extensive experimentation with real-world datasets demonstrates that our framework, AMPLIFY, leads to prediction accuracy improvements of about 10-25% over a wide range of tasks, including those where prior approaches which rely on human-annotated rationales such as Chain-of-Thought prompting fall short. Our work makes one of the first attempts at highlighting the potential of post hoc explanations as valuable tools for enhancing the effectiveness of LLMs. Furthermore, we conduct additional empirical analyses and ablation studies to demonstrate the impact of each of the components of AMPLIFY, which, in turn, leads to critical insights for refining in-context learning.

Pre-trained Large Language Models (LLMs) require post-training methods such as supervised fine-tuning (SFT) on instruction-response pairs to enable instruction following. However, this process can potentially harm existing capabilities learned during pre-training. In this paper, we investigate the loss of context awareness after SFT, where context awareness is defined as the ability to extract and understand information from user-provided context and respond accordingly. We identify and demonstrate that the loss of context awareness, particularly in open-source models, occurs in instruction fine-tuned LLMs when the chat template is applied to input prompts. We identify that the performance decline is associated with a bias toward different roles learned during conversational instruction fine-tuning. We demonstrate this correlation by visualizing changes in attention allocation after the chat template is applied and manually steering the attention heads. The bias can be learned from training examples that align with the model's internal knowledge and rely less on the user-provided context to generate correct responses. Based on these observations, we propose a metric to identify context-dependent examples from general instruction fine-tuning datasets. We then apply conditional instruction fine-tuning with a context-dependency indicator, enabling the model to preserve context awareness after SFT. Empirical experiments on four context-dependent downstream tasks and three pre-trained LLMs of different sizes show that our method effectively mitigates the loss of context awareness without compromising general instruction-following capabilities.

Large language models (LLMs) demonstrate great performance in text generation. However, LLMs are still suffering from hallucinations. In this work, we propose an inference-time method, Self-Highlighted Hesitation (SH2), to help LLMs decode more truthfully. SH2 is based on a simple fact rooted in information theory that for an LLM, the tokens predicted with lower probabilities are prone to be more informative than others. Our analysis shows that the tokens assigned with lower probabilities by an LLM are more likely to be closely related to factual information, such as nouns, proper nouns, and adjectives. Therefore, we propose to ''highlight'' the factual information by selecting the tokens with the lowest probabilities and concatenating them to the original context, thus forcing the model to repeatedly read and hesitate on these tokens before generation. During decoding, we also adopt contrastive decoding to emphasize the difference in the output probabilities brought by the hesitation. Experimental results demonstrate that our SH2, requiring no additional data or models, can effectively help LLMs elicit factual knowledge and distinguish hallucinated contexts. Significant and consistent improvements are achieved by SH2 for LLaMA-7b and LLaMA2-7b on multiple hallucination tasks.

Large language models (LLMs) can store a significant amount of factual knowledge in their parameters. However, their parametric knowledge may conflict with the information provided in the context. Such conflicts can lead to undesirable model behaviour, such as reliance on outdated or incorrect information. In this work, we investigate whether LLMs can identify knowledge conflicts and whether it is possible to know which source of knowledge the model will rely on by analysing the residual stream of the LLM. Through probing tasks, we find that LLMs can internally register the signal of knowledge conflict in the residual stream, which can be accurately detected by probing the intermediate model activations. This allows us to detect conflicts within the residual stream before generating the answers without modifying the input or model parameters. Moreover, we find that the residual stream shows significantly different patterns when the model relies on contextual knowledge versus parametric knowledge to resolve conflicts. This pattern can be employed to estimate the behaviour of LLMs when conflict happens and prevent unexpected answers before producing the answers. Our analysis offers insights into how LLMs internally manage knowledge conflicts and provides a foundation for developing methods to control the knowledge selection processes.

Continual learning is a promising machine learning paradigm to learn new tasks while retaining previously learned knowledge over streaming training data. Till now, rehearsal-based methods, keeping a small part of data from old tasks as a memory buffer, have shown good performance in mitigating catastrophic forgetting for previously learned knowledge. However, most of these methods typically treat each new task equally, which may not adequately consider the relationship or similarity between old and new tasks. Furthermore, these methods commonly neglect sample importance in the continual training process and result in sub-optimal performance on certain tasks. To address this challenging problem, we propose Relational Experience Replay (RER), a bi-level learning framework, to adaptively tune task-wise relationships and sample importance within each task to achieve a better `stability' and `plasticity' trade-off. As such, the proposed method is capable of accumulating new knowledge while consolidating previously learned old knowledge during continual learning. Extensive experiments conducted on three publicly available datasets (i.e., CIFAR-10, CIFAR-100, and Tiny ImageNet) show that the proposed method can consistently improve the performance of all baselines and surpass current state-of-the-art methods.

Decision Transformer (DT) is an innovative algorithm leveraging recent advances of the transformer architecture in reinforcement learning (RL). However, a notable limitation of DT is its reliance on recalling trajectories from datasets, losing the capability to seamlessly stitch sub-optimal trajectories together. In this work we introduce a general sequence modeling framework for studying sequential decision making through the lens of Hierarchical RL. At the time of making decisions, a high-level policy first proposes an ideal prompt for the current state, a low-level policy subsequently generates an action conditioned on the given prompt. We show DT emerges as a special case of this framework with certain choices of high-level and low-level policies, and discuss the potential failure of these choices. Inspired by these observations, we study how to jointly optimize the high-level and low-level policies to enable the stitching ability, which further leads to the development of new offline RL algorithms. Our empirical results clearly show that the proposed algorithms significantly surpass DT on several control and navigation benchmarks. We hope our contributions can inspire the integration of transformer architectures within the field of RL.