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Mar 13

PepTune: De Novo Generation of Therapeutic Peptides with Multi-Objective-Guided Discrete Diffusion

Peptide therapeutics, a major class of medicines, have achieved remarkable success across diseases such as diabetes and cancer, with landmark examples such as GLP-1 receptor agonists revolutionizing the treatment of type-2 diabetes and obesity. Despite their success, designing peptides that satisfy multiple conflicting objectives, such as target binding affinity, solubility, and membrane permeability, remains a major challenge. Classical drug development and structure-based design are ineffective for such tasks, as they fail to optimize global functional properties critical for therapeutic efficacy. Existing generative frameworks are largely limited to continuous spaces, unconditioned outputs, or single-objective guidance, making them unsuitable for discrete sequence optimization across multiple properties. To address this, we present PepTune, a multi-objective discrete diffusion model for the simultaneous generation and optimization of therapeutic peptide SMILES. Built on the Masked Discrete Language Model (MDLM) framework, PepTune ensures valid peptide structures with state-dependent masking schedules and penalty-based objectives. To guide the diffusion process, we propose a Monte Carlo Tree Search (MCTS)-based strategy that balances exploration and exploitation to iteratively refine Pareto-optimal sequences. MCTS integrates classifier-based rewards with search-tree expansion, overcoming gradient estimation challenges and data sparsity inherent to discrete spaces. Using PepTune, we generate diverse, chemically-modified peptides optimized for multiple therapeutic properties, including target binding affinity, membrane permeability, solubility, hemolysis, and non-fouling characteristics on various disease-relevant targets. In total, our results demonstrate that MCTS-guided discrete diffusion is a powerful and modular approach for multi-objective sequence design in discrete state spaces.

DecompOpt: Controllable and Decomposed Diffusion Models for Structure-based Molecular Optimization

Recently, 3D generative models have shown promising performances in structure-based drug design by learning to generate ligands given target binding sites. However, only modeling the target-ligand distribution can hardly fulfill one of the main goals in drug discovery -- designing novel ligands with desired properties, e.g., high binding affinity, easily synthesizable, etc. This challenge becomes particularly pronounced when the target-ligand pairs used for training do not align with these desired properties. Moreover, most existing methods aim at solving de novo design task, while many generative scenarios requiring flexible controllability, such as R-group optimization and scaffold hopping, have received little attention. In this work, we propose DecompOpt, a structure-based molecular optimization method based on a controllable and decomposed diffusion model. DecompOpt presents a new generation paradigm which combines optimization with conditional diffusion models to achieve desired properties while adhering to the molecular grammar. Additionally, DecompOpt offers a unified framework covering both de novo design and controllable generation. To achieve so, ligands are decomposed into substructures which allows fine-grained control and local optimization. Experiments show that DecompOpt can efficiently generate molecules with improved properties than strong de novo baselines, and demonstrate great potential in controllable generation tasks.

ProtAgents: Protein discovery via large language model multi-agent collaborations combining physics and machine learning

Designing de novo proteins beyond those found in nature holds significant promise for advancements in both scientific and engineering applications. Current methodologies for protein design often rely on AI-based models, such as surrogate models that address end-to-end problems by linking protein structure to material properties or vice versa. However, these models frequently focus on specific material objectives or structural properties, limiting their flexibility when incorporating out-of-domain knowledge into the design process or comprehensive data analysis is required. In this study, we introduce ProtAgents, a platform for de novo protein design based on Large Language Models (LLMs), where multiple AI agents with distinct capabilities collaboratively address complex tasks within a dynamic environment. The versatility in agent development allows for expertise in diverse domains, including knowledge retrieval, protein structure analysis, physics-based simulations, and results analysis. The dynamic collaboration between agents, empowered by LLMs, provides a versatile approach to tackling protein design and analysis problems, as demonstrated through diverse examples in this study. The problems of interest encompass designing new proteins, analyzing protein structures and obtaining new first-principles data -- natural vibrational frequencies -- via physics simulations. The concerted effort of the system allows for powerful automated and synergistic design of de novo proteins with targeted mechanical properties. The flexibility in designing the agents, on one hand, and their capacity in autonomous collaboration through the dynamic LLM-based multi-agent environment on the other hand, unleashes great potentials of LLMs in addressing multi-objective materials problems and opens up new avenues for autonomous materials discovery and design.

NovoBench: Benchmarking Deep Learning-based De Novo Peptide Sequencing Methods in Proteomics

Tandem mass spectrometry has played a pivotal role in advancing proteomics, enabling the high-throughput analysis of protein composition in biological tissues. Many deep learning methods have been developed for de novo peptide sequencing task, i.e., predicting the peptide sequence for the observed mass spectrum. However, two key challenges seriously hinder the further advancement of this important task. Firstly, since there is no consensus for the evaluation datasets, the empirical results in different research papers are often not comparable, leading to unfair comparison. Secondly, the current methods are usually limited to amino acid-level or peptide-level precision and recall metrics. In this work, we present the first unified benchmark NovoBench for de novo peptide sequencing, which comprises diverse mass spectrum data, integrated models, and comprehensive evaluation metrics. Recent impressive methods, including DeepNovo, PointNovo, Casanovo, InstaNovo, AdaNovo and pi-HelixNovo are integrated into our framework. In addition to amino acid-level and peptide-level precision and recall, we evaluate the models' performance in terms of identifying post-tranlational modifications (PTMs), efficiency and robustness to peptide length, noise peaks and missing fragment ratio, which are important influencing factors while seldom be considered. Leveraging this benchmark, we conduct a large-scale study of current methods, report many insightful findings that open up new possibilities for future development.

xTrimoABFold: De novo Antibody Structure Prediction without MSA

In the field of antibody engineering, an essential task is to design a novel antibody whose paratopes bind to a specific antigen with correct epitopes. Understanding antibody structure and its paratope can facilitate a mechanistic understanding of its function. Therefore, antibody structure prediction from its sequence alone has always been a highly valuable problem for de novo antibody design. AlphaFold2, a breakthrough in the field of structural biology, provides a solution to predict protein structure based on protein sequences and computationally expensive coevolutionary multiple sequence alignments (MSAs). However, the computational efficiency and undesirable prediction accuracy of antibodies, especially on the complementarity-determining regions (CDRs) of antibodies limit their applications in the industrially high-throughput drug design. To learn an informative representation of antibodies, we employed a deep antibody language model (ALM) on curated sequences from the observed antibody space database via a transformer model. We also developed a novel model named xTrimoABFold to predict antibody structure from antibody sequence based on the pretrained ALM as well as efficient evoformers and structural modules. The model was trained end-to-end on the antibody structures in PDB by minimizing the ensemble loss of domain-specific focal loss on CDR and the frame-aligned point loss. xTrimoABFold outperforms AlphaFold2 and other protein language model based SOTAs, e.g., OmegaFold, HelixFold-Single, and IgFold with a large significant margin (30+\% improvement on RMSD) while performing 151 times faster than AlphaFold2. To the best of our knowledge, xTrimoABFold achieved state-of-the-art antibody structure prediction. Its improvement in both accuracy and efficiency makes it a valuable tool for de novo antibody design and could make further improvements in immuno-theory.

ProLLaMA: A Protein Large Language Model for Multi-Task Protein Language Processing

Large Language Models (LLMs), including GPT-x and LLaMA2, have achieved remarkable performance in multiple Natural Language Processing (NLP) tasks. Under the premise that protein sequences constitute the protein language, Protein Large Language Models (ProLLMs) trained on protein corpora excel at de novo protein sequence generation. However, as of now, unlike LLMs in NLP, no ProLLM is capable of multiple tasks in the Protein Language Processing (PLP) field. This prompts us to delineate the inherent limitations in current ProLLMs: (i) the lack of natural language capabilities, (ii) insufficient instruction understanding, and (iii) high training resource demands. To address these challenges, we introduce a training framework to transform any general LLM into a ProLLM capable of handling multiple PLP tasks. Specifically, our framework utilizes low-rank adaptation and employs a two-stage training approach, and it is distinguished by its universality, low overhead, and scalability. Through training under this framework, we propose the ProLLaMA model, the first known ProLLM to handle multiple PLP tasks simultaneously. Experiments show that ProLLaMA achieves state-of-the-art results in the unconditional protein sequence generation task. In the controllable protein sequence generation task, ProLLaMA can design novel proteins with desired functionalities. In the protein property prediction task, ProLLaMA achieves nearly 100\% accuracy across many categories. The latter two tasks are beyond the reach of other ProLLMs. Code is available at https://github.com/Lyu6PosHao/ProLLaMA.

Cross-Task Generalization via Natural Language Crowdsourcing Instructions

Humans (e.g., crowdworkers) have a remarkable ability in solving different tasks, by simply reading textual instructions that define them and looking at a few examples. Despite the success of the conventional supervised learning on individual datasets, such models often struggle with generalization across tasks (e.g., a question-answering system cannot solve classification tasks). A long-standing challenge in AI is to build a model that learns a new task by understanding the human-readable instructions that define it. To study this, we introduce NATURAL INSTRUCTIONS, a dataset of 61 distinct tasks, their human-authored instructions, and 193k task instances (input-output pairs). The instructions are obtained from crowdsourcing instructions used to create existing NLP datasets and mapped to a unified schema. Using this meta-dataset, we measure cross-task generalization by training models on seen tasks and measuring generalization to the remaining unseen ones. We adopt generative pre-trained language models to encode task-specific instructions along with input and generate task output. Our results indicate that models benefit from instructions when evaluated in terms of generalization to unseen tasks (19% better for models utilizing instructions). These models, however, are far behind an estimated performance upperbound indicating significant room for more progress in this direction.

TAME: Task Agnostic Continual Learning using Multiple Experts

The goal of lifelong learning is to continuously learn from non-stationary distributions, where the non-stationarity is typically imposed by a sequence of distinct tasks. Prior works have mostly considered idealistic settings, where the identity of tasks is known at least at training. In this paper we focus on a fundamentally harder, so-called task-agnostic setting where the task identities are not known and the learning machine needs to infer them from the observations. Our algorithm, which we call TAME (Task-Agnostic continual learning using Multiple Experts), automatically detects the shift in data distributions and switches between task expert networks in an online manner. At training, the strategy for switching between tasks hinges on an extremely simple observation that for each new coming task there occurs a statistically-significant deviation in the value of the loss function that marks the onset of this new task. At inference, the switching between experts is governed by the selector network that forwards the test sample to its relevant expert network. The selector network is trained on a small subset of data drawn uniformly at random. We control the growth of the task expert networks as well as selector network by employing online pruning. Our experimental results show the efficacy of our approach on benchmark continual learning data sets, outperforming the previous task-agnostic methods and even the techniques that admit task identities at both training and testing, while at the same time using a comparable model size.

The MineRL BASALT Competition on Learning from Human Feedback

The last decade has seen a significant increase of interest in deep learning research, with many public successes that have demonstrated its potential. As such, these systems are now being incorporated into commercial products. With this comes an additional challenge: how can we build AI systems that solve tasks where there is not a crisp, well-defined specification? While multiple solutions have been proposed, in this competition we focus on one in particular: learning from human feedback. Rather than training AI systems using a predefined reward function or using a labeled dataset with a predefined set of categories, we instead train the AI system using a learning signal derived from some form of human feedback, which can evolve over time as the understanding of the task changes, or as the capabilities of the AI system improve. The MineRL BASALT competition aims to spur forward research on this important class of techniques. We design a suite of four tasks in Minecraft for which we expect it will be hard to write down hardcoded reward functions. These tasks are defined by a paragraph of natural language: for example, "create a waterfall and take a scenic picture of it", with additional clarifying details. Participants must train a separate agent for each task, using any method they want. Agents are then evaluated by humans who have read the task description. To help participants get started, we provide a dataset of human demonstrations on each of the four tasks, as well as an imitation learning baseline that leverages these demonstrations. Our hope is that this competition will improve our ability to build AI systems that do what their designers intend them to do, even when the intent cannot be easily formalized. Besides allowing AI to solve more tasks, this can also enable more effective regulation of AI systems, as well as making progress on the value alignment problem.

OMNI: Open-endedness via Models of human Notions of Interestingness

Open-ended algorithms aim to learn new, interesting behaviors forever. That requires a vast environment search space, but there are thus infinitely many possible tasks. Even after filtering for tasks the current agent can learn (i.e., learning progress), countless learnable yet uninteresting tasks remain (e.g., minor variations of previously learned tasks). An Achilles Heel of open-endedness research is the inability to quantify (and thus prioritize) tasks that are not just learnable, but also interesting (e.g., worthwhile and novel). We propose solving this problem by Open-endedness via Models of human Notions of Interestingness (OMNI). The insight is that we can utilize foundation models (FMs) as a model of interestingness (MoI), because they already internalize human concepts of interestingness from training on vast amounts of human-generated data, where humans naturally write about what they find interesting or boring. We show that FM-based MoIs improve open-ended learning by focusing on tasks that are both learnable and interesting, outperforming baselines based on uniform task sampling or learning progress alone. This approach has the potential to dramatically advance the ability to intelligently select which tasks to focus on next (i.e., auto-curricula), and could be seen as AI selecting its own next task to learn, facilitating self-improving AI and AI-Generating Algorithms. Project website at https://www.jennyzhangzt.com/omni/

Bidirectional Language Models Are Also Few-shot Learners

Large language models such as GPT-3 (Brown et al., 2020) can perform arbitrary tasks without undergoing fine-tuning after being prompted with only a few labeled examples. An arbitrary task can be reformulated as a natural language prompt, and a language model can be asked to generate the completion, indirectly performing the task in a paradigm known as prompt-based learning. To date, emergent prompt-based learning capabilities have mainly been demonstrated for unidirectional language models. However, bidirectional language models pre-trained on denoising objectives such as masked language modeling produce stronger learned representations for transfer learning. This motivates the possibility of prompting bidirectional models, but their pre-training objectives have made them largely incompatible with the existing prompting paradigm. We present SAP (Sequential Autoregressive Prompting), a technique that enables the prompting of bidirectional models. Utilizing the machine translation task as a case study, we prompt the bidirectional mT5 model (Xue et al., 2021) with SAP and demonstrate its few-shot and zero-shot translations outperform the few-shot translations of unidirectional models like GPT-3 and XGLM (Lin et al., 2021), despite mT5's approximately 50% fewer parameters. We further show SAP is effective on question answering and summarization. For the first time, our results demonstrate prompt-based learning is an emergent property of a broader class of language models, rather than only unidirectional models.

Learning to Generate Instruction Tuning Datasets for Zero-Shot Task Adaptation

We introduce Bonito, an open-source model for conditional task generation: the task of converting unannotated text into task-specific training datasets for instruction tuning. Our goal is to enable zero-shot task adaptation of large language models on users' specialized, private data. We train Bonito on a new large-scale dataset with 1.65M examples created by remixing existing instruction tuning datasets into meta-templates. The meta-templates for a dataset produce training examples where the input is the unannotated text and the task attribute and the output consists of the instruction and the response. We use Bonito to generate synthetic tasks for seven datasets from specialized domains across three task types -- yes-no question answering, extractive question answering, and natural language inference -- and adapt language models. We show that Bonito significantly improves the average performance of pretrained and instruction tuned models over the de facto self supervised baseline. For example, adapting Mistral-Instruct-v2 and instruction tuned variants of Mistral and Llama2 with Bonito improves the strong zero-shot performance by 22.1 F1 points whereas the next word prediction objective undoes some of the benefits of instruction tuning and reduces the average performance by 0.8 F1 points. We conduct additional experiments with Bonito to understand the effects of the domain, the size of the training set, and the choice of alternative synthetic task generators. Overall, we show that learning with synthetic instruction tuning datasets is an effective way to adapt language models to new domains. The model, dataset, and code are available at https://github.com/BatsResearch/bonito.

In-BoXBART: Get Instructions into Biomedical Multi-Task Learning

Single-task models have proven pivotal in solving specific tasks; however, they have limitations in real-world applications where multi-tasking is necessary and domain shifts are exhibited. Recently, instructional prompts have shown significant improvement towards multi-task generalization; however, the effect of instructional prompts and Multi-Task Learning (MTL) has not been systematically studied in the biomedical domain. Motivated by this, this paper explores the impact of instructional prompts for biomedical MTL. We introduce the BoX, a collection of 32 instruction tasks for Biomedical NLP across (X) various categories. Using this meta-dataset, we propose a unified model termed In-BoXBART, that can jointly learn all tasks of the BoX without any task-specific modules. To the best of our knowledge, this is the first attempt to propose a unified model in the biomedical domain and use instructions to achieve generalization across several biomedical tasks. Experimental results indicate that the proposed model: 1) outperforms the single-task baseline by ~3% and multi-task (without instruction) baseline by ~18% on an average, and 2) shows ~23% improvement compared to the single-task baseline in few-shot learning (i.e., 32 instances per task) on an average. Our analysis indicates that there is significant room for improvement across tasks in the BoX, implying the scope for future research direction.

Pretraining task diversity and the emergence of non-Bayesian in-context learning for regression

Pretrained transformers exhibit the remarkable ability of in-context learning (ICL): they can learn tasks from just a few examples provided in the prompt without updating any weights. This raises a foundational question: can ICL solve fundamentally new tasks that are very different from those seen during pretraining? To probe this question, we examine ICL's performance on linear regression while varying the diversity of tasks in the pretraining dataset. We empirically demonstrate a task diversity threshold for the emergence of ICL. Below this threshold, the pretrained transformer cannot solve unseen regression tasks, instead behaving like a Bayesian estimator with the non-diverse pretraining task distribution as the prior. Beyond this threshold, the transformer significantly outperforms this estimator; its behavior aligns with that of ridge regression, corresponding to a Gaussian prior over all tasks, including those not seen during pretraining. Thus, when pretrained on data with task diversity greater than the threshold, transformers can optimally solve fundamentally new tasks in-context. Importantly, this capability hinges on it deviating from the Bayes optimal estimator with the pretraining distribution as the prior. This study also explores the effect of regularization, model capacity and task structure and underscores, in a concrete example, the critical role of task diversity, alongside data and model scale, in the emergence of ICL. Code is available at https://github.com/mansheej/icl-task-diversity.

Language Models can Solve Computer Tasks

Agents capable of carrying out general tasks on a computer can improve efficiency and productivity by automating repetitive tasks and assisting in complex problem-solving. Ideally, such agents should be able to solve new computer tasks presented to them through natural language commands. However, previous approaches to this problem require large amounts of expert demonstrations and task-specific reward functions, both of which are impractical for new tasks. In this work, we show that a pre-trained large language model (LLM) agent can execute computer tasks guided by natural language using a simple prompting scheme where the agent Recursively Criticizes and Improves its output (RCI). The RCI approach significantly outperforms existing LLM methods for automating computer tasks and surpasses supervised learning (SL) and reinforcement learning (RL) approaches on the MiniWoB++ benchmark. We compare multiple LLMs and find that RCI with the InstructGPT-3+RLHF LLM is state-of-the-art on MiniWoB++, using only a handful of demonstrations per task rather than tens of thousands, and without a task-specific reward function. Furthermore, we demonstrate RCI prompting's effectiveness in enhancing LLMs' reasoning abilities on a suite of natural language reasoning tasks, outperforming chain of thought (CoT) prompting. We find that RCI combined with CoT performs better than either separately. Our code can be found here: https://github.com/posgnu/rci-agent.

WebArena: A Realistic Web Environment for Building Autonomous Agents

With generative AI advances, the exciting potential for autonomous agents to manage daily tasks via natural language commands has emerged. However, cur rent agents are primarily created and tested in simplified synthetic environments, substantially limiting real-world scenario representation. In this paper, we build an environment for agent command and control that is highly realistic and reproducible. Specifically, we focus on agents that perform tasks on websites, and we create an environment with fully functional websites from four common domains: e-commerce, social forum discussions, collaborative software development, and content management. Our environment is enriched with tools (e.g., a map) and external knowledge bases (e.g., user manuals) to encourage human-like task-solving. Building upon our environment, we release a set of benchmark tasks focusing on evaluating the functional correctness of task completions. The tasks in our benchmark are diverse, long-horizon, and are designed to emulate tasks that humans routinely perform on the internet. We design and implement several autonomous agents, integrating recent techniques such as reasoning before acting. The results demonstrate that solving complex tasks is challenging: our best GPT-4-based agent only achieves an end-to-end task success rate of 10.59%. These results highlight the need for further development of robust agents, that current state-of-the-art LMs are far from perfect performance in these real-life tasks, and that WebArena can be used to measure such progress. Our code, data, environment reproduction resources, and video demonstrations are publicly available at https://webarena.dev/.

TaskMatrix.AI: Completing Tasks by Connecting Foundation Models with Millions of APIs

Artificial Intelligence (AI) has made incredible progress recently. On the one hand, advanced foundation models like ChatGPT can offer powerful conversation, in-context learning and code generation abilities on a broad range of open-domain tasks. They can also generate high-level solution outlines for domain-specific tasks based on the common sense knowledge they have acquired. However, they still face difficulties with some specialized tasks because they lack enough domain-specific data during pre-training or they often have errors in their neural network computations on those tasks that need accurate executions. On the other hand, there are also many existing models and systems (symbolic-based or neural-based) that can do some domain-specific tasks very well. However, due to the different implementation or working mechanisms, they are not easily accessible or compatible with foundation models. Therefore, there is a clear and pressing need for a mechanism that can leverage foundation models to propose task solution outlines and then automatically match some of the sub-tasks in the outlines to the off-the-shelf models and systems with special functionalities to complete them. Inspired by this, we introduce TaskMatrix.AI as a new AI ecosystem that connects foundation models with millions of APIs for task completion. Unlike most previous work that aimed to improve a single AI model, TaskMatrix.AI focuses more on using existing foundation models (as a brain-like central system) and APIs of other AI models and systems (as sub-task solvers) to achieve diversified tasks in both digital and physical domains. As a position paper, we will present our vision of how to build such an ecosystem, explain each key component, and use study cases to illustrate both the feasibility of this vision and the main challenges we need to address next.

LLM as Dataset Analyst: Subpopulation Structure Discovery with Large Language Model

The distribution of subpopulations is an important property hidden within a dataset. Uncovering and analyzing the subpopulation distribution within datasets provides a comprehensive understanding of the datasets, standing as a powerful tool beneficial to various downstream tasks, including Dataset Subpopulation Organization, Subpopulation Shift, and Slice Discovery. Despite its importance, there has been no work that systematically explores the subpopulation distribution of datasets to our knowledge. To address the limitation and solve all the mentioned tasks in a unified way, we introduce a novel concept of subpopulation structures to represent, analyze, and utilize subpopulation distributions within datasets. To characterize the structures in an interpretable manner, we propose the Subpopulation Structure Discovery with Large Language Models (SSD-LLM) framework, which employs world knowledge and instruction-following capabilities of Large Language Models (LLMs) to linguistically analyze informative image captions and summarize the structures. Furthermore, we propose complete workflows to address downstream tasks, named Task-specific Tuning, showcasing the application of the discovered structure to a spectrum of subpopulation-related tasks, including dataset subpopulation organization, subpopulation shift, and slice discovery. Furthermore, we propose complete workflows to address downstream tasks, named Task-specific Tuning, showcasing the application of the discovered structure to a spectrum of subpopulation-related tasks, including dataset subpopulation organization, subpopulation shift, and slice discovery.

Meta-World: A Benchmark and Evaluation for Multi-Task and Meta Reinforcement Learning

Meta-reinforcement learning algorithms can enable robots to acquire new skills much more quickly, by leveraging prior experience to learn how to learn. However, much of the current research on meta-reinforcement learning focuses on task distributions that are very narrow. For example, a commonly used meta-reinforcement learning benchmark uses different running velocities for a simulated robot as different tasks. When policies are meta-trained on such narrow task distributions, they cannot possibly generalize to more quickly acquire entirely new tasks. Therefore, if the aim of these methods is to enable faster acquisition of entirely new behaviors, we must evaluate them on task distributions that are sufficiently broad to enable generalization to new behaviors. In this paper, we propose an open-source simulated benchmark for meta-reinforcement learning and multi-task learning consisting of 50 distinct robotic manipulation tasks. Our aim is to make it possible to develop algorithms that generalize to accelerate the acquisition of entirely new, held-out tasks. We evaluate 7 state-of-the-art meta-reinforcement learning and multi-task learning algorithms on these tasks. Surprisingly, while each task and its variations (e.g., with different object positions) can be learned with reasonable success, these algorithms struggle to learn with multiple tasks at the same time, even with as few as ten distinct training tasks. Our analysis and open-source environments pave the way for future research in multi-task learning and meta-learning that can enable meaningful generalization, thereby unlocking the full potential of these methods.

The Natural Language Decathlon: Multitask Learning as Question Answering

Deep learning has improved performance on many natural language processing (NLP) tasks individually. However, general NLP models cannot emerge within a paradigm that focuses on the particularities of a single metric, dataset, and task. We introduce the Natural Language Decathlon (decaNLP), a challenge that spans ten tasks: question answering, machine translation, summarization, natural language inference, sentiment analysis, semantic role labeling, zero-shot relation extraction, goal-oriented dialogue, semantic parsing, and commonsense pronoun resolution. We cast all tasks as question answering over a context. Furthermore, we present a new Multitask Question Answering Network (MQAN) jointly learns all tasks in decaNLP without any task-specific modules or parameters in the multitask setting. MQAN shows improvements in transfer learning for machine translation and named entity recognition, domain adaptation for sentiment analysis and natural language inference, and zero-shot capabilities for text classification. We demonstrate that the MQAN's multi-pointer-generator decoder is key to this success and performance further improves with an anti-curriculum training strategy. Though designed for decaNLP, MQAN also achieves state of the art results on the WikiSQL semantic parsing task in the single-task setting. We also release code for procuring and processing data, training and evaluating models, and reproducing all experiments for decaNLP.

Optimal decision making in robotic assembly and other trial-and-error tasks

Uncertainty in perception, actuation, and the environment often require multiple attempts for a robotic task to be successful. We study a class of problems providing (1) low-entropy indicators of terminal success / failure, and (2) unreliable (high-entropy) data to predict the final outcome of an ongoing task. Examples include a robot trying to connect with a charging station, parallel parking, or assembling a tightly-fitting part. The ability to restart after predicting failure early, versus simply running to failure, can significantly decrease the makespan, that is, the total time to completion, with the drawback of potentially short-cutting an otherwise successful operation. Assuming task running times to be Poisson distributed, and using a Markov Jump process to capture the dynamics of the underlying Markov Decision Process, we derive a closed form solution that predicts makespan based on the confusion matrix of the failure predictor. This allows the robot to learn failure prediction in a production environment, and only adopt a preemptive policy when it actually saves time. We demonstrate this approach using a robotic peg-in-hole assembly problem using a real robotic system. Failures are predicted by a dilated convolutional network based on force-torque data, showing an average makespan reduction from 101s to 81s (N=120, p<0.05). We posit that the proposed algorithm generalizes to any robotic behavior with an unambiguous terminal reward, with wide ranging applications on how robots can learn and improve their behaviors in the wild.

Open-Ended Learning Leads to Generally Capable Agents

In this work we create agents that can perform well beyond a single, individual task, that exhibit much wider generalisation of behaviour to a massive, rich space of challenges. We define a universe of tasks within an environment domain and demonstrate the ability to train agents that are generally capable across this vast space and beyond. The environment is natively multi-agent, spanning the continuum of competitive, cooperative, and independent games, which are situated within procedurally generated physical 3D worlds. The resulting space is exceptionally diverse in terms of the challenges posed to agents, and as such, even measuring the learning progress of an agent is an open research problem. We propose an iterative notion of improvement between successive generations of agents, rather than seeking to maximise a singular objective, allowing us to quantify progress despite tasks being incomparable in terms of achievable rewards. We show that through constructing an open-ended learning process, which dynamically changes the training task distributions and training objectives such that the agent never stops learning, we achieve consistent learning of new behaviours. The resulting agent is able to score reward in every one of our humanly solvable evaluation levels, with behaviour generalising to many held-out points in the universe of tasks. Examples of this zero-shot generalisation include good performance on Hide and Seek, Capture the Flag, and Tag. Through analysis and hand-authored probe tasks we characterise the behaviour of our agent, and find interesting emergent heuristic behaviours such as trial-and-error experimentation, simple tool use, option switching, and cooperation. Finally, we demonstrate that the general capabilities of this agent could unlock larger scale transfer of behaviour through cheap finetuning.

Describe, Explain, Plan and Select: Interactive Planning with Large Language Models Enables Open-World Multi-Task Agents

In this paper, we study the problem of planning in Minecraft, a popular, democratized yet challenging open-ended environment for developing multi-task embodied agents. We've found two primary challenges of empowering such agents with planning: 1) planning in an open-ended world like Minecraft requires precise and multi-step reasoning due to the long-term nature of the tasks, and 2) as vanilla planners do not consider the proximity to the current agent when ordering parallel sub-goals within a complicated plan, the resulting plan could be inefficient. To this end, we propose "Describe, Explain, Plan and Select" (DEPS), an interactive planning approach based on Large Language Models (LLMs). Our approach helps with better error correction from the feedback during the long-haul planning, while also bringing the sense of proximity via goal Selector, a learnable module that ranks parallel sub-goals based on the estimated steps of completion and improves the original plan accordingly. Our experiments mark the milestone of the first multi-task agent that can robustly accomplish 70+ Minecraft tasks and nearly doubles the overall performances. Finally, the ablation and exploratory studies detail how our design beats the counterparts and provide a promising update on the ObtainDiamond grand challenge with our approach. The code is released at https://github.com/CraftJarvis/MC-Planner.

RL Zero: Zero-Shot Language to Behaviors without any Supervision

Rewards remain an uninterpretable way to specify tasks for Reinforcement Learning, as humans are often unable to predict the optimal behavior of any given reward function, leading to poor reward design and reward hacking. Language presents an appealing way to communicate intent to agents and bypass reward design, but prior efforts to do so have been limited by costly and unscalable labeling efforts. In this work, we propose a method for a completely unsupervised alternative to grounding language instructions in a zero-shot manner to obtain policies. We present a solution that takes the form of imagine, project, and imitate: The agent imagines the observation sequence corresponding to the language description of a task, projects the imagined sequence to our target domain, and grounds it to a policy. Video-language models allow us to imagine task descriptions that leverage knowledge of tasks learned from internet-scale video-text mappings. The challenge remains to ground these generations to a policy. In this work, we show that we can achieve a zero-shot language-to-behavior policy by first grounding the imagined sequences in real observations of an unsupervised RL agent and using a closed-form solution to imitation learning that allows the RL agent to mimic the grounded observations. Our method, RLZero, is the first to our knowledge to show zero-shot language to behavior generation abilities without any supervision on a variety of tasks on simulated domains. We further show that RLZero can also generate policies zero-shot from cross-embodied videos such as those scraped from YouTube.

Beyond the Imitation Game: Quantifying and extrapolating the capabilities of language models

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

Imitation Learning from Observation with Automatic Discount Scheduling

Humans often acquire new skills through observation and imitation. For robotic agents, learning from the plethora of unlabeled video demonstration data available on the Internet necessitates imitating the expert without access to its action, presenting a challenge known as Imitation Learning from Observations (ILfO). A common approach to tackle ILfO problems is to convert them into inverse reinforcement learning problems, utilizing a proxy reward computed from the agent's and the expert's observations. Nonetheless, we identify that tasks characterized by a progress dependency property pose significant challenges for such approaches; in these tasks, the agent needs to initially learn the expert's preceding behaviors before mastering the subsequent ones. Our investigation reveals that the main cause is that the reward signals assigned to later steps hinder the learning of initial behaviors. To address this challenge, we present a novel ILfO framework that enables the agent to master earlier behaviors before advancing to later ones. We introduce an Automatic Discount Scheduling (ADS) mechanism that adaptively alters the discount factor in reinforcement learning during the training phase, prioritizing earlier rewards initially and gradually engaging later rewards only when the earlier behaviors have been mastered. Our experiments, conducted on nine Meta-World tasks, demonstrate that our method significantly outperforms state-of-the-art methods across all tasks, including those that are unsolvable by them.

Proto-Value Networks: Scaling Representation Learning with Auxiliary Tasks

Auxiliary tasks improve the representations learned by deep reinforcement learning agents. Analytically, their effect is reasonably well understood; in practice, however, their primary use remains in support of a main learning objective, rather than as a method for learning representations. This is perhaps surprising given that many auxiliary tasks are defined procedurally, and hence can be treated as an essentially infinite source of information about the environment. Based on this observation, we study the effectiveness of auxiliary tasks for learning rich representations, focusing on the setting where the number of tasks and the size of the agent's network are simultaneously increased. For this purpose, we derive a new family of auxiliary tasks based on the successor measure. These tasks are easy to implement and have appealing theoretical properties. Combined with a suitable off-policy learning rule, the result is a representation learning algorithm that can be understood as extending Mahadevan & Maggioni (2007)'s proto-value functions to deep reinforcement learning -- accordingly, we call the resulting object proto-value networks. Through a series of experiments on the Arcade Learning Environment, we demonstrate that proto-value networks produce rich features that may be used to obtain performance comparable to established algorithms, using only linear approximation and a small number (~4M) of interactions with the environment's reward function.

CLIN: A Continually Learning Language Agent for Rapid Task Adaptation and Generalization

Language agents have shown some ability to interact with an external environment, e.g., a virtual world such as ScienceWorld, to perform complex tasks, e.g., growing a plant, without the startup costs of reinforcement learning. However, despite their zero-shot capabilities, these agents to date do not continually improve over time beyond performance refinement on a specific task. Here we present CLIN, the first language-based agent to achieve this, so that it continually improves over multiple trials, including when both the environment and task are varied, and without requiring parameter updates. Our approach is to use a persistent, dynamic, textual memory centered on causal abstractions (rather than general "helpful hints") that is regularly updated after each trial so that the agent gradually learns useful knowledge for new trials. In the ScienceWorld benchmark, CLIN is able to continually improve on repeated trials on the same task and environment, outperforming state-of-the-art reflective language agents like Reflexion by 23 absolute points. CLIN can also transfer its learning to new environments (or new tasks), improving its zero-shot performance by 4 points (13 for new tasks) and can further improve performance there through continual memory updates, enhancing performance by an additional 17 points (7 for new tasks). This suggests a new architecture for agents built on frozen models that can still continually and rapidly improve over time.

Learning to Modulate pre-trained Models in RL

Reinforcement Learning (RL) has been successful in various domains like robotics, game playing, and simulation. While RL agents have shown impressive capabilities in their specific tasks, they insufficiently adapt to new tasks. In supervised learning, this adaptation problem is addressed by large-scale pre-training followed by fine-tuning to new down-stream tasks. Recently, pre-training on multiple tasks has been gaining traction in RL. However, fine-tuning a pre-trained model often suffers from catastrophic forgetting, that is, the performance on the pre-training tasks deteriorates when fine-tuning on new tasks. To investigate the catastrophic forgetting phenomenon, we first jointly pre-train a model on datasets from two benchmark suites, namely Meta-World and DMControl. Then, we evaluate and compare a variety of fine-tuning methods prevalent in natural language processing, both in terms of performance on new tasks, and how well performance on pre-training tasks is retained. Our study shows that with most fine-tuning approaches, the performance on pre-training tasks deteriorates significantly. Therefore, we propose a novel method, Learning-to-Modulate (L2M), that avoids the degradation of learned skills by modulating the information flow of the frozen pre-trained model via a learnable modulation pool. Our method achieves state-of-the-art performance on the Continual-World benchmark, while retaining performance on the pre-training tasks. Finally, to aid future research in this area, we release a dataset encompassing 50 Meta-World and 16 DMControl tasks.

Generative Pretrained Autoregressive Transformer Graph Neural Network applied to the Analysis and Discovery of Novel Proteins

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional architectures in a causal multi-headed graph mechanism, to realize a generative pretrained model. The model is applied to predict secondary structure content (per-residue level and overall content), protein solubility, and sequencing tasks. Further trained on inverse tasks, the model is rendered capable of designing proteins with these properties as target features. The model is formulated as a general framework, completely prompt-based, and can be adapted for a variety of downstream tasks. We find that adding additional tasks yields emergent synergies that the model exploits in improving overall performance, beyond what would be possible by training a model on each dataset alone. Case studies are presented to validate the method, yielding protein designs specifically focused on structural proteins, but also exploring the applicability in the design of soluble, antimicrobial biomaterials. While our model is trained to ultimately perform 8 distinct tasks, with available datasets it can be extended to solve additional problems. In a broader sense, this work illustrates a form of multiscale modeling that relates a set of ultimate building blocks (here, byte-level utf8 characters) to complex output. This materiomic scheme captures complex emergent relationships between universal building block and resulting properties via a synergizing learning capacity to express a set of potentialities embedded in the knowledge used in training, via the interplay of universality and diversity.

Robot Fine-Tuning Made Easy: Pre-Training Rewards and Policies for Autonomous Real-World Reinforcement Learning

The pre-train and fine-tune paradigm in machine learning has had dramatic success in a wide range of domains because the use of existing data or pre-trained models on the internet enables quick and easy learning of new tasks. We aim to enable this paradigm in robotic reinforcement learning, allowing a robot to learn a new task with little human effort by leveraging data and models from the Internet. However, reinforcement learning often requires significant human effort in the form of manual reward specification or environment resets, even if the policy is pre-trained. We introduce RoboFuME, a reset-free fine-tuning system that pre-trains a multi-task manipulation policy from diverse datasets of prior experiences and self-improves online to learn a target task with minimal human intervention. Our insights are to utilize calibrated offline reinforcement learning techniques to ensure efficient online fine-tuning of a pre-trained policy in the presence of distribution shifts and leverage pre-trained vision language models (VLMs) to build a robust reward classifier for autonomously providing reward signals during the online fine-tuning process. In a diverse set of five real robot manipulation tasks, we show that our method can incorporate data from an existing robot dataset collected at a different institution and improve on a target task within as little as 3 hours of autonomous real-world experience. We also demonstrate in simulation experiments that our method outperforms prior works that use different RL algorithms or different approaches for predicting rewards. Project website: https://robofume.github.io

Can LLMs Generate Novel Research Ideas? A Large-Scale Human Study with 100+ NLP Researchers

Recent advancements in large language models (LLMs) have sparked optimism about their potential to accelerate scientific discovery, with a growing number of works proposing research agents that autonomously generate and validate new ideas. Despite this, no evaluations have shown that LLM systems can take the very first step of producing novel, expert-level ideas, let alone perform the entire research process. We address this by establishing an experimental design that evaluates research idea generation while controlling for confounders and performs the first head-to-head comparison between expert NLP researchers and an LLM ideation agent. By recruiting over 100 NLP researchers to write novel ideas and blind reviews of both LLM and human ideas, we obtain the first statistically significant conclusion on current LLM capabilities for research ideation: we find LLM-generated ideas are judged as more novel (p < 0.05) than human expert ideas while being judged slightly weaker on feasibility. Studying our agent baselines closely, we identify open problems in building and evaluating research agents, including failures of LLM self-evaluation and their lack of diversity in generation. Finally, we acknowledge that human judgements of novelty can be difficult, even by experts, and propose an end-to-end study design which recruits researchers to execute these ideas into full projects, enabling us to study whether these novelty and feasibility judgements result in meaningful differences in research outcome.

Synapse: Trajectory-as-Exemplar Prompting with Memory for Computer Control

Building agents with large language models (LLMs) for computer control is a burgeoning research area, where the agent receives computer states and performs actions to complete complex tasks. Previous computer agents have demonstrated the benefits of in-context learning (ICL); however, their performance is hindered by several issues. First, the limited context length of LLMs and complex computer states restrict the number of exemplars, as a single webpage can consume the entire context. Second, the exemplars in current methods, such as high-level plans and multi-choice questions, cannot represent complete trajectories, leading to suboptimal performance in long-horizon tasks. Third, existing computer agents rely on task-specific exemplars and overlook the similarity among tasks, resulting in poor generalization to novel tasks. To address these challenges, we introduce Synapse, a computer agent featuring three key components: i) state abstraction, which filters out task-irrelevant information from raw states, allowing more exemplars within the limited context, ii) trajectory-as-exemplar prompting, which prompts the LLM with complete trajectories of the abstracted states and actions to improve multi-step decision-making, and iii) exemplar memory, which stores the embeddings of exemplars and retrieves them via similarity search for generalization to novel tasks. We evaluate Synapse on MiniWoB++, a standard task suite, and Mind2Web, a real-world website benchmark. In MiniWoB++, Synapse achieves a 99.2% average success rate (a 10% relative improvement) across 64 tasks using demonstrations from only 48 tasks. Notably, Synapse is the first ICL method to solve the book-flight task in MiniWoB++. Synapse also exhibits a 56% relative improvement in average step success rate over the previous state-of-the-art prompting scheme in Mind2Web.

Fine-Tuning Discrete Diffusion Models via Reward Optimization with Applications to DNA and Protein Design

Recent studies have demonstrated the strong empirical performance of diffusion models on discrete sequences across domains from natural language to biological sequence generation. For example, in the protein inverse folding task, conditional diffusion models have achieved impressive results in generating natural-like sequences that fold back into the original structure. However, practical design tasks often require not only modeling a conditional distribution but also optimizing specific task objectives. For instance, we may prefer protein sequences with high stability. To address this, we consider the scenario where we have pre-trained discrete diffusion models that can generate natural-like sequences, as well as reward models that map sequences to task objectives. We then formulate the reward maximization problem within discrete diffusion models, analogous to reinforcement learning (RL), while minimizing the KL divergence against pretrained diffusion models to preserve naturalness. To solve this RL problem, we propose a novel algorithm, DRAKES, that enables direct backpropagation of rewards through entire trajectories generated by diffusion models, by making the originally non-differentiable trajectories differentiable using the Gumbel-Softmax trick. Our theoretical analysis indicates that our approach can generate sequences that are both natural-like and yield high rewards. While similar tasks have been recently explored in diffusion models for continuous domains, our work addresses unique algorithmic and theoretical challenges specific to discrete diffusion models, which arise from their foundation in continuous-time Markov chains rather than Brownian motion. Finally, we demonstrate the effectiveness of DRAKES in generating DNA and protein sequences that optimize enhancer activity and protein stability, respectively, important tasks for gene therapies and protein-based therapeutics.

Prototype-Sample Relation Distillation: Towards Replay-Free Continual Learning

In Continual learning (CL) balancing effective adaptation while combating catastrophic forgetting is a central challenge. Many of the recent best-performing methods utilize various forms of prior task data, e.g. a replay buffer, to tackle the catastrophic forgetting problem. Having access to previous task data can be restrictive in many real-world scenarios, for example when task data is sensitive or proprietary. To overcome the necessity of using previous tasks' data, in this work, we start with strong representation learning methods that have been shown to be less prone to forgetting. We propose a holistic approach to jointly learn the representation and class prototypes while maintaining the relevance of old class prototypes and their embedded similarities. Specifically, samples are mapped to an embedding space where the representations are learned using a supervised contrastive loss. Class prototypes are evolved continually in the same latent space, enabling learning and prediction at any point. To continually adapt the prototypes without keeping any prior task data, we propose a novel distillation loss that constrains class prototypes to maintain relative similarities as compared to new task data. This method yields state-of-the-art performance in the task-incremental setting, outperforming methods relying on large amounts of data, and provides strong performance in the class-incremental setting without using any stored data points.

Model Breadcrumbs: Scaling Multi-Task Model Merging with Sparse Masks

The rapid development of AI systems has been greatly influenced by the emergence of foundation models. A common approach for targeted problems involves fine-tuning these pre-trained foundation models for specific target tasks, resulting in a rapid spread of models fine-tuned across a diverse array of tasks. This work focuses on the problem of merging multiple fine-tunings of the same foundation model derived from a spectrum of auxiliary tasks. We introduce a new simple method, Model Breadcrumbs, which consists of a sparsely defined set of weights that carve out a trajectory within the weight space of a pre-trained model, enhancing task performance when traversed. These breadcrumbs are constructed by subtracting the weights from a pre-trained model before and after fine-tuning, followed by a sparsification process that eliminates weight outliers and negligible perturbations. Our experiments demonstrate the effectiveness of Model Breadcrumbs to simultaneously improve performance across multiple tasks. This contribution aligns with the evolving paradigm of updatable machine learning, reminiscent of the collaborative principles underlying open-source software development, fostering a community-driven effort to reliably update machine learning models. Our method is shown to be more efficient and unlike previous proposals does not require hyperparameter tuning for each new task added. Through extensive experimentation involving various models, tasks, and modalities we establish that integrating Model Breadcrumbs offers a simple, efficient, and highly effective approach for constructing multi-task models and facilitating updates to foundation models.

GenSim: Generating Robotic Simulation Tasks via Large Language Models

Collecting large amounts of real-world interaction data to train general robotic policies is often prohibitively expensive, thus motivating the use of simulation data. However, existing methods for data generation have generally focused on scene-level diversity (e.g., object instances and poses) rather than task-level diversity, due to the human effort required to come up with and verify novel tasks. This has made it challenging for policies trained on simulation data to demonstrate significant task-level generalization. In this paper, we propose to automatically generate rich simulation environments and expert demonstrations by exploiting a large language models' (LLM) grounding and coding ability. Our approach, dubbed GenSim, has two modes: goal-directed generation, wherein a target task is given to the LLM and the LLM proposes a task curriculum to solve the target task, and exploratory generation, wherein the LLM bootstraps from previous tasks and iteratively proposes novel tasks that would be helpful in solving more complex tasks. We use GPT4 to expand the existing benchmark by ten times to over 100 tasks, on which we conduct supervised finetuning and evaluate several LLMs including finetuned GPTs and Code Llama on code generation for robotic simulation tasks. Furthermore, we observe that LLMs-generated simulation programs can enhance task-level generalization significantly when used for multitask policy training. We further find that with minimal sim-to-real adaptation, the multitask policies pretrained on GPT4-generated simulation tasks exhibit stronger transfer to unseen long-horizon tasks in the real world and outperform baselines by 25%. See the project website (https://liruiw.github.io/gensim) for code, demos, and videos.

Unlock Predictable Scaling from Emergent Abilities

The scientific scale-up of large language models (LLMs) necessitates a comprehensive understanding of their scaling properties. However, the existing literature on the scaling properties only yields an incomplete answer: optimization loss decreases predictably as the model size increases, in line with established scaling law; yet no scaling law for task has been established and the task performances are far from predictable during scaling. Task performances typically show minor gains on small models until they improve dramatically once models exceed a size threshold, exemplifying the ``emergent abilities''. In this study, we discover that small models, although they exhibit minor performance, demonstrate critical and consistent task performance improvements that are not captured by conventional evaluation strategies due to insufficient measurement resolution. To measure such improvements, we introduce PassUntil, an evaluation strategy through massive sampling in the decoding phase. We conduct quantitative investigations into the scaling law of task performance. Firstly, a strict task scaling law is identified, enhancing the predictability of task performances. Remarkably, we are able to predict the performance of the 2.4B model on code generation with merely 0.05\% deviation before training starts. Secondly, underpinned by PassUntil, we observe concrete evidence of emergent abilities and ascertain that they are not in conflict with the continuity of performance improvement. Their semblance to break-through is that their scaling curve cannot be fitted by standard scaling law function. We then introduce a mathematical definition for the emergent abilities. Through the definition, we refute a prevalent ``multi-step reasoning hypothesis'' regarding the genesis of emergent abilities and propose a new hypothesis with a satisfying fit to the observed scaling curve.

Practical Galaxy Morphology Tools from Deep Supervised Representation Learning

Astronomers have typically set out to solve supervised machine learning problems by creating their own representations from scratch. We show that deep learning models trained to answer every Galaxy Zoo DECaLS question learn meaningful semantic representations of galaxies that are useful for new tasks on which the models were never trained. We exploit these representations to outperform several recent approaches at practical tasks crucial for investigating large galaxy samples. The first task is identifying galaxies of similar morphology to a query galaxy. Given a single galaxy assigned a free text tag by humans (e.g. "#diffuse"), we can find galaxies matching that tag for most tags. The second task is identifying the most interesting anomalies to a particular researcher. Our approach is 100% accurate at identifying the most interesting 100 anomalies (as judged by Galaxy Zoo 2 volunteers). The third task is adapting a model to solve a new task using only a small number of newly-labelled galaxies. Models fine-tuned from our representation are better able to identify ring galaxies than models fine-tuned from terrestrial images (ImageNet) or trained from scratch. We solve each task with very few new labels; either one (for the similarity search) or several hundred (for anomaly detection or fine-tuning). This challenges the longstanding view that deep supervised methods require new large labelled datasets for practical use in astronomy. To help the community benefit from our pretrained models, we release our fine-tuning code Zoobot. Zoobot is accessible to researchers with no prior experience in deep learning.

TaskBench: Benchmarking Large Language Models for Task Automation

Recently, the incredible progress of large language models (LLMs) has ignited the spark of task automation, which decomposes the complex tasks described by user instructions into sub-tasks, and invokes external tools to execute them, and plays a central role in autonomous agents. However, there lacks a systematic and standardized benchmark to foster the development of LLMs in task automation. To this end, we introduce TaskBench to evaluate the capability of LLMs in task automation. Specifically, task automation can be formulated into three critical stages: task decomposition, tool invocation, and parameter prediction to fulfill user intent. This complexity makes data collection and evaluation more challenging compared to common NLP tasks. To generate high-quality evaluation datasets, we introduce the concept of Tool Graph to represent the decomposed tasks in user intent, and adopt a back-instruct method to simulate user instruction and annotations. Furthermore, we propose TaskEval to evaluate the capability of LLMs from different aspects, including task decomposition, tool invocation, and parameter prediction. Experimental results demonstrate that TaskBench can effectively reflects the capability of LLMs in task automation. Benefiting from the mixture of automated data construction and human verification, TaskBench achieves a high consistency compared to the human evaluation, which can be utilized as a comprehensive and faithful benchmark for LLM-based autonomous agents.

Recommendation as Language Processing (RLP): A Unified Pretrain, Personalized Prompt & Predict Paradigm (P5)

For a long time, different recommendation tasks typically require designing task-specific architectures and training objectives. As a result, it is hard to transfer the learned knowledge and representations from one task to another, thus restricting the generalization ability of existing recommendation approaches, e.g., a sequential recommendation model can hardly be applied or transferred to a review generation method. To deal with such issues, considering that language can describe almost anything and language grounding is a powerful medium to represent various problems or tasks, we present a flexible and unified text-to-text paradigm called "Pretrain, Personalized Prompt, and Predict Paradigm" (P5) for recommendation, which unifies various recommendation tasks in a shared framework. In P5, all data such as user-item interactions, user descriptions, item metadata, and user reviews are converted to a common format -- natural language sequences. The rich information from natural language assists P5 to capture deeper semantics for personalization and recommendation. Specifically, P5 learns different tasks with the same language modeling objective during pretraining. Thus, it serves as the foundation model for various downstream recommendation tasks, allows easy integration with other modalities, and enables instruction-based recommendation based on prompts. P5 advances recommender systems from shallow model to deep model to big model, and will revolutionize the technical form of recommender systems towards universal recommendation engine. With adaptive personalized prompt for different users, P5 is able to make predictions in a zero-shot or few-shot manner and largely reduces the necessity for extensive fine-tuning. On several recommendation benchmarks, we conduct experiments to show the effectiveness of P5. We release the source code at https://github.com/jeykigung/P5.

Instance Needs More Care: Rewriting Prompts for Instances Yields Better Zero-Shot Performance

Enabling large language models (LLMs) to perform tasks in zero-shot has been an appealing goal owing to its labor-saving (i.e., requiring no task-specific annotations); as such, zero-shot prompting approaches also enjoy better task generalizability. To improve LLMs' zero-shot performance, prior work has focused on devising more effective task instructions (e.g., ``let's think step by step'' ). However, we argue that, in order for an LLM to solve them correctly in zero-shot, individual test instances need more carefully designed and customized instructions. To this end, we propose PRoMPTd, an approach that rewrites the task prompt for each individual test input to be more specific, unambiguous, and complete, so as to provide better guidance to the task LLM. We evaluated PRoMPTd on eight datasets covering tasks including arithmetics, logical reasoning, and code generation, using GPT-4 as the task LLM. Notably, PRoMPTd achieves an absolute improvement of around 10% on the complex MATH dataset and 5% on the code generation task on HumanEval, outperforming conventional zero-shot methods. In addition, we also showed that the rewritten prompt can provide better interpretability of how the LLM resolves each test instance, which can potentially be leveraged as a defense mechanism against adversarial prompting. The source code and dataset can be obtained from https://github.com/salokr/PRoMPTd

PRompt Optimization in Multi-Step Tasks (PROMST): Integrating Human Feedback and Heuristic-based Sampling

Prompt optimization aims to find the best prompt to a large language model (LLM) for a given task. LLMs have been successfully used to help find and improve prompt candidates for single-step tasks. However, realistic tasks for agents are multi-step and introduce new challenges: (1) Prompt content is likely to be more extensive and complex, making it more difficult for LLMs to analyze errors, (2) the impact of an individual step is difficult to evaluate, and (3) different people may have varied preferences about task execution. While humans struggle to optimize prompts, they are good at providing feedback about LLM outputs; we therefore introduce a new LLM-driven discrete prompt optimization framework PRompt Optimization in Multi-Step Tasks (PROMST) that incorporates human-designed feedback rules to automatically offer direct suggestions for improvement. We also use an extra learned heuristic model that predicts prompt performance to efficiently sample from prompt candidates. This approach significantly outperforms both human-engineered prompts and several other prompt optimization methods across 11 representative multi-step tasks (an average 10.6\%-29.3\% improvement to current best methods on five LLMs respectively). We believe our work can serve as a benchmark for automatic prompt optimization for LLM-driven multi-step tasks. Datasets and Codes are available at https://github.com/yongchao98/PROMST. Project Page is available at https://yongchao98.github.io/MIT-REALM-PROMST.

Dyna-bAbI: unlocking bAbI's potential with dynamic synthetic benchmarking

While neural language models often perform surprisingly well on natural language understanding (NLU) tasks, their strengths and limitations remain poorly understood. Controlled synthetic tasks are thus an increasingly important resource for diagnosing model behavior. In this work we focus on story understanding, a core competency for NLU systems. However, the main synthetic resource for story understanding, the bAbI benchmark, lacks such a systematic mechanism for controllable task generation. We develop Dyna-bAbI, a dynamic framework providing fine-grained control over task generation in bAbI. We demonstrate our ideas by constructing three new tasks requiring compositional generalization, an important evaluation setting absent from the original benchmark. We tested both special-purpose models developed for bAbI as well as state-of-the-art pre-trained methods, and found that while both approaches solve the original tasks (>99% accuracy), neither approach succeeded in the compositional generalization setting, indicating the limitations of the original training data. We explored ways to augment the original data, and found that though diversifying training data was far more useful than simply increasing dataset size, it was still insufficient for driving robust compositional generalization (with <70% accuracy for complex compositions). Our results underscore the importance of highly controllable task generators for creating robust NLU systems through a virtuous cycle of model and data development.

Decomposed Prompting: A Modular Approach for Solving Complex Tasks

Few-shot prompting is a surprisingly powerful way to use Large Language Models (LLMs) to solve various tasks. However, this approach struggles as the task complexity increases or when the individual reasoning steps of the task themselves are hard to learn, especially when embedded in more complex tasks. To address this, we propose Decomposed Prompting, a new approach to solve complex tasks by decomposing them (via prompting) into simpler sub-tasks that can be delegated to a library of prompting-based LLMs dedicated to these sub-tasks. This modular structure allows each prompt to be optimized for its specific sub-task, further decomposed if necessary, and even easily replaced with more effective prompts, trained models, or symbolic functions if desired. We show that the flexibility and modularity of Decomposed Prompting allows it to outperform prior work on few-shot prompting using GPT3. On symbolic reasoning tasks, we can further decompose sub-tasks that are hard for LLMs into even simpler solvable sub-tasks. When the complexity comes from the input length, we can recursively decompose the task into the same task but with smaller inputs. We also evaluate our approach on textual multi-step reasoning tasks: on long-context multi-hop QA task, we can more effectively teach the sub-tasks via our separate sub-tasks prompts; and on open-domain multi-hop QA, we can incorporate a symbolic information retrieval within our decomposition framework, leading to improved performance on both tasks. Datasets, Code and Prompts available at https://github.com/allenai/DecomP.

Unsupervised Perceptual Rewards for Imitation Learning

Reward function design and exploration time are arguably the biggest obstacles to the deployment of reinforcement learning (RL) agents in the real world. In many real-world tasks, designing a reward function takes considerable hand engineering and often requires additional sensors to be installed just to measure whether the task has been executed successfully. Furthermore, many interesting tasks consist of multiple implicit intermediate steps that must be executed in sequence. Even when the final outcome can be measured, it does not necessarily provide feedback on these intermediate steps. To address these issues, we propose leveraging the abstraction power of intermediate visual representations learned by deep models to quickly infer perceptual reward functions from small numbers of demonstrations. We present a method that is able to identify key intermediate steps of a task from only a handful of demonstration sequences, and automatically identify the most discriminative features for identifying these steps. This method makes use of the features in a pre-trained deep model, but does not require any explicit specification of sub-goals. The resulting reward functions can then be used by an RL agent to learn to perform the task in real-world settings. To evaluate the learned reward, we present qualitative results on two real-world tasks and a quantitative evaluation against a human-designed reward function. We also show that our method can be used to learn a real-world door opening skill using a real robot, even when the demonstration used for reward learning is provided by a human using their own hand. To our knowledge, these are the first results showing that complex robotic manipulation skills can be learned directly and without supervised labels from a video of a human performing the task. Supplementary material and data are available at https://sermanet.github.io/rewards

OVOR: OnePrompt with Virtual Outlier Regularization for Rehearsal-Free Class-Incremental Learning

Recent works have shown that by using large pre-trained models along with learnable prompts, rehearsal-free methods for class-incremental learning (CIL) settings can achieve superior performance to prominent rehearsal-based ones. Rehearsal-free CIL methods struggle with distinguishing classes from different tasks, as those are not trained together. In this work we propose a regularization method based on virtual outliers to tighten decision boundaries of the classifier, such that confusion of classes among different tasks is mitigated. Recent prompt-based methods often require a pool of task-specific prompts, in order to prevent overwriting knowledge of previous tasks with that of the new task, leading to extra computation in querying and composing an appropriate prompt from the pool. This additional cost can be eliminated, without sacrificing accuracy, as we reveal in the paper. We illustrate that a simplified prompt-based method can achieve results comparable to previous state-of-the-art (SOTA) methods equipped with a prompt pool, using much less learnable parameters and lower inference cost. Our regularization method has demonstrated its compatibility with different prompt-based methods, boosting those previous SOTA rehearsal-free CIL methods' accuracy on the ImageNet-R and CIFAR-100 benchmarks. Our source code is available at https://github.com/jpmorganchase/ovor.

MAMMAL -- Molecular Aligned Multi-Modal Architecture and Language

Drug discovery typically consists of multiple steps, including identifying a target protein key to a disease's etiology, validating that interacting with this target could prevent symptoms or cure the disease, discovering a small molecule or biologic therapeutic to interact with it, and optimizing the candidate molecule through a complex landscape of required properties. Drug discovery related tasks often involve prediction and generation while considering multiple entities that potentially interact, which poses a challenge for typical AI models. For this purpose we present MAMMAL - Molecular Aligned Multi-Modal Architecture and Language - a method that we applied to create a versatile multi-task foundation model ibm/biomed.omics.bl.sm.ma-ted-458m that learns from large-scale biological datasets (2 billion samples) across diverse modalities, including proteins, small molecules, and genes. We introduce a prompt syntax that supports a wide range of classification, regression, and generation tasks. It allows combining different modalities and entity types as inputs and/or outputs. Our model handles combinations of tokens and scalars and enables the generation of small molecules and proteins, property prediction, and transcriptomic lab test predictions. We evaluated the model on 11 diverse downstream tasks spanning different steps within a typical drug discovery pipeline, where it reaches new SOTA in 9 tasks and is comparable to SOTA in 2 tasks. This performance is achieved while using a unified architecture serving all tasks, in contrast to the original SOTA performance achieved using tailored architectures. The model code and pretrained weights are publicly available at https://github.com/BiomedSciAI/biomed-multi-alignment and https://huggingface.co/ibm/biomed.omics.bl.sm.ma-ted-458m.

Continual Learning in Neural Networks

Artificial neural networks have exceeded human-level performance in accomplishing several individual tasks (e.g. voice recognition, object recognition, and video games). However, such success remains modest compared to human intelligence that can learn and perform an unlimited number of tasks. Humans' ability of learning and accumulating knowledge over their lifetime is an essential aspect of their intelligence. Continual machine learning aims at a higher level of machine intelligence through providing the artificial agents with the ability to learn online from a non-stationary and never-ending stream of data. A key component of such a never-ending learning process is to overcome the catastrophic forgetting of previously seen data, a problem that neural networks are well known to suffer from. The work described in this thesis has been dedicated to the investigation of continual learning and solutions to mitigate the forgetting phenomena in neural networks. To approach the continual learning problem, we first assume a task incremental setting where tasks are received one at a time and data from previous tasks are not stored. Since the task incremental setting can't be assumed in all continual learning scenarios, we also study the more general online continual setting. We consider an infinite stream of data drawn from a non-stationary distribution with a supervisory or self-supervisory training signal. The proposed methods in this thesis have tackled important aspects of continual learning. They were evaluated on different benchmarks and over various learning sequences. Advances in the state of the art of continual learning have been shown and challenges for bringing continual learning into application were critically identified.

On Bringing Robots Home

Throughout history, we have successfully integrated various machines into our homes. Dishwashers, laundry machines, stand mixers, and robot vacuums are a few recent examples. However, these machines excel at performing only a single task effectively. The concept of a "generalist machine" in homes - a domestic assistant that can adapt and learn from our needs, all while remaining cost-effective - has long been a goal in robotics that has been steadily pursued for decades. In this work, we initiate a large-scale effort towards this goal by introducing Dobb-E, an affordable yet versatile general-purpose system for learning robotic manipulation within household settings. Dobb-E can learn a new task with only five minutes of a user showing it how to do it, thanks to a demonstration collection tool ("The Stick") we built out of cheap parts and iPhones. We use the Stick to collect 13 hours of data in 22 homes of New York City, and train Home Pretrained Representations (HPR). Then, in a novel home environment, with five minutes of demonstrations and fifteen minutes of adapting the HPR model, we show that Dobb-E can reliably solve the task on the Stretch, a mobile robot readily available on the market. Across roughly 30 days of experimentation in homes of New York City and surrounding areas, we test our system in 10 homes, with a total of 109 tasks in different environments, and finally achieve a success rate of 81%. Beyond success percentages, our experiments reveal a plethora of unique challenges absent or ignored in lab robotics. These range from effects of strong shadows, to variable demonstration quality by non-expert users. With the hope of accelerating research on home robots, and eventually seeing robot butlers in every home, we open-source Dobb-E software stack and models, our data, and our hardware designs at https://dobb-e.com

CLEA: Closed-Loop Embodied Agent for Enhancing Task Execution in Dynamic Environments

Large Language Models (LLMs) exhibit remarkable capabilities in the hierarchical decomposition of complex tasks through semantic reasoning. However, their application in embodied systems faces challenges in ensuring reliable execution of subtask sequences and achieving one-shot success in long-term task completion. To address these limitations in dynamic environments, we propose Closed-Loop Embodied Agent (CLEA) -- a novel architecture incorporating four specialized open-source LLMs with functional decoupling for closed-loop task management. The framework features two core innovations: (1) Interactive task planner that dynamically generates executable subtasks based on the environmental memory, and (2) Multimodal execution critic employing an evaluation framework to conduct a probabilistic assessment of action feasibility, triggering hierarchical re-planning mechanisms when environmental perturbations exceed preset thresholds. To validate CLEA's effectiveness, we conduct experiments in a real environment with manipulable objects, using two heterogeneous robots for object search, manipulation, and search-manipulation integration tasks. Across 12 task trials, CLEA outperforms the baseline model, achieving a 67.3% improvement in success rate and a 52.8% increase in task completion rate. These results demonstrate that CLEA significantly enhances the robustness of task planning and execution in dynamic environments.

The Good, the Bad, and the Missing: Neural Code Generation for Machine Learning Tasks

Machine learning (ML) has been increasingly used in a variety of domains, while solving ML programming tasks poses unique challenges because of the fundamentally different nature and construction from general programming tasks, especially for developers who do not have ML backgrounds. Automatic code generation that produces a code snippet from a natural language description can be a promising technique to accelerate ML programming tasks. In recent years, although many deep learning-based neural code generation models have been proposed with high accuracy, the fact that most of them are mainly evaluated on general programming tasks calls into question their effectiveness and usefulness in ML programming tasks. In this paper, we set out to investigate the effectiveness of existing neural code generation models on ML programming tasks. For our analysis, we select six state-of-the-art neural code generation models, and evaluate their performance on four widely used ML libraries, with newly-created 83K pairs of natural-language described ML programming tasks. Our empirical study reveals some good, bad, and missing aspects of neural code generation models on ML tasks, with a few major ones listed below. (Good) Neural code generation models perform significantly better on ML tasks than on non-ML tasks. (Bad) Most of the generated code is semantically incorrect. (Bad) Code generation models cannot significantly improve developers' completion time. (Good) The generated code can help developers write more correct code by providing developers with clues for using correct APIs. (Missing) The observation from our user study reveals the missing aspects of code generation for ML tasks, e.g., decomposing code generation for divide-and-conquer into two tasks: API sequence identification and API usage generation.

MLGym: A New Framework and Benchmark for Advancing AI Research Agents

We introduce Meta MLGym and MLGym-Bench, a new framework and benchmark for evaluating and developing LLM agents on AI research tasks. This is the first Gym environment for machine learning (ML) tasks, enabling research on reinforcement learning (RL) algorithms for training such agents. MLGym-bench consists of 13 diverse and open-ended AI research tasks from diverse domains such as computer vision, natural language processing, reinforcement learning, and game theory. Solving these tasks requires real-world AI research skills such as generating new ideas and hypotheses, creating and processing data, implementing ML methods, training models, running experiments, analyzing the results, and iterating through this process to improve on a given task. We evaluate a number of frontier large language models (LLMs) on our benchmarks such as Claude-3.5-Sonnet, Llama-3.1 405B, GPT-4o, o1-preview, and Gemini-1.5 Pro. Our MLGym framework makes it easy to add new tasks, integrate and evaluate models or agents, generate synthetic data at scale, as well as develop new learning algorithms for training agents on AI research tasks. We find that current frontier models can improve on the given baselines, usually by finding better hyperparameters, but do not generate novel hypotheses, algorithms, architectures, or substantial improvements. We open-source our framework and benchmark to facilitate future research in advancing the AI research capabilities of LLM agents.

Foundation Policies with Hilbert Representations

Unsupervised and self-supervised objectives, such as next token prediction, have enabled pre-training generalist models from large amounts of unlabeled data. In reinforcement learning (RL), however, finding a truly general and scalable unsupervised pre-training objective for generalist policies from offline data remains a major open question. While a number of methods have been proposed to enable generic self-supervised RL, based on principles such as goal-conditioned RL, behavioral cloning, and unsupervised skill learning, such methods remain limited in terms of either the diversity of the discovered behaviors, the need for high-quality demonstration data, or the lack of a clear prompting or adaptation mechanism for downstream tasks. In this work, we propose a novel unsupervised framework to pre-train generalist policies that capture diverse, optimal, long-horizon behaviors from unlabeled offline data such that they can be quickly adapted to any arbitrary new tasks in a zero-shot manner. Our key insight is to learn a structured representation that preserves the temporal structure of the underlying environment, and then to span this learned latent space with directional movements, which enables various zero-shot policy "prompting" schemes for downstream tasks. Through our experiments on simulated robotic locomotion and manipulation benchmarks, we show that our unsupervised policies can solve goal-conditioned and general RL tasks in a zero-shot fashion, even often outperforming prior methods designed specifically for each setting. Our code and videos are available at https://seohong.me/projects/hilp/

Efficient Controllable Multi-Task Architectures

We aim to train a multi-task model such that users can adjust the desired compute budget and relative importance of task performances after deployment, without retraining. This enables optimizing performance for dynamically varying user needs, without heavy computational overhead to train and save models for various scenarios. To this end, we propose a multi-task model consisting of a shared encoder and task-specific decoders where both encoder and decoder channel widths are slimmable. Our key idea is to control the task importance by varying the capacities of task-specific decoders, while controlling the total computational cost by jointly adjusting the encoder capacity. This improves overall accuracy by allowing a stronger encoder for a given budget, increases control over computational cost, and delivers high-quality slimmed sub-architectures based on user's constraints. Our training strategy involves a novel 'Configuration-Invariant Knowledge Distillation' loss that enforces backbone representations to be invariant under different runtime width configurations to enhance accuracy. Further, we present a simple but effective search algorithm that translates user constraints to runtime width configurations of both the shared encoder and task decoders, for sampling the sub-architectures. The key rule for the search algorithm is to provide a larger computational budget to the higher preferred task decoder, while searching a shared encoder configuration that enhances the overall MTL performance. Various experiments on three multi-task benchmarks (PASCALContext, NYUDv2, and CIFAR100-MTL) with diverse backbone architectures demonstrate the advantage of our approach. For example, our method shows a higher controllability by ~33.5% in the NYUD-v2 dataset over prior methods, while incurring much less compute cost.

Beyond Not-Forgetting: Continual Learning with Backward Knowledge Transfer

By learning a sequence of tasks continually, an agent in continual learning (CL) can improve the learning performance of both a new task and `old' tasks by leveraging the forward knowledge transfer and the backward knowledge transfer, respectively. However, most existing CL methods focus on addressing catastrophic forgetting in neural networks by minimizing the modification of the learnt model for old tasks. This inevitably limits the backward knowledge transfer from the new task to the old tasks, because judicious model updates could possibly improve the learning performance of the old tasks as well. To tackle this problem, we first theoretically analyze the conditions under which updating the learnt model of old tasks could be beneficial for CL and also lead to backward knowledge transfer, based on the gradient projection onto the input subspaces of old tasks. Building on the theoretical analysis, we next develop a ContinUal learning method with Backward knowlEdge tRansfer (CUBER), for a fixed capacity neural network without data replay. In particular, CUBER first characterizes the task correlation to identify the positively correlated old tasks in a layer-wise manner, and then selectively modifies the learnt model of the old tasks when learning the new task. Experimental studies show that CUBER can even achieve positive backward knowledge transfer on several existing CL benchmarks for the first time without data replay, where the related baselines still suffer from catastrophic forgetting (negative backward knowledge transfer). The superior performance of CUBER on the backward knowledge transfer also leads to higher accuracy accordingly.

Are Emergent Abilities of Large Language Models a Mirage?

Recent work claims that large language models display emergent abilities, abilities not present in smaller-scale models that are present in larger-scale models. What makes emergent abilities intriguing is two-fold: their sharpness, transitioning seemingly instantaneously from not present to present, and their unpredictability, appearing at seemingly unforeseeable model scales. Here, we present an alternative explanation for emergent abilities: that for a particular task and model family, when analyzing fixed model outputs, emergent abilities appear due to the researcher's choice of metric rather than due to fundamental changes in model behavior with scale. Specifically, nonlinear or discontinuous metrics produce apparent emergent abilities, whereas linear or continuous metrics produce smooth, continuous predictable changes in model performance. We present our alternative explanation in a simple mathematical model, then test it in three complementary ways: we (1) make, test and confirm three predictions on the effect of metric choice using the InstructGPT/GPT-3 family on tasks with claimed emergent abilities; (2) make, test and confirm two predictions about metric choices in a meta-analysis of emergent abilities on BIG-Bench; and (3) show to choose metrics to produce never-before-seen seemingly emergent abilities in multiple vision tasks across diverse deep networks. Via all three analyses, we provide evidence that alleged emergent abilities evaporate with different metrics or with better statistics, and may not be a fundamental property of scaling AI models.

Facilitating Multi-turn Function Calling for LLMs via Compositional Instruction Tuning

Large Language Models (LLMs) have exhibited significant potential in performing diverse tasks, including the ability to call functions or use external tools to enhance their performance. While current research on function calling by LLMs primarily focuses on single-turn interactions, this paper addresses the overlooked necessity for LLMs to engage in multi-turn function calling--critical for handling compositional, real-world queries that require planning with functions but not only use functions. To facilitate this, we introduce an approach, BUTTON, which generates synthetic compositional instruction tuning data via bottom-up instruction construction and top-down trajectory generation. In the bottom-up phase, we generate simple atomic tasks based on real-world scenarios and build compositional tasks using heuristic strategies based on atomic tasks. Corresponding functions are then developed for these compositional tasks. The top-down phase features a multi-agent environment where interactions among simulated humans, assistants, and tools are utilized to gather multi-turn function calling trajectories. This approach ensures task compositionality and allows for effective function and trajectory generation by examining atomic tasks within compositional tasks. We produce a dataset BUTTONInstruct comprising 8k data points and demonstrate its effectiveness through extensive experiments across various LLMs.

GENOME: GenerativE Neuro-symbOlic visual reasoning by growing and reusing ModulEs

Recent works have shown that Large Language Models (LLMs) could empower traditional neuro-symbolic models via programming capabilities to translate language into module descriptions, thus achieving strong visual reasoning results while maintaining the model's transparency and efficiency. However, these models usually exhaustively generate the entire code snippet given each new instance of a task, which is extremely ineffective. We propose generative neuro-symbolic visual reasoning by growing and reusing modules. Specifically, our model consists of three unique stages, module initialization, module generation, and module execution. First, given a vision-language task, we adopt LLMs to examine whether we could reuse and grow over established modules to handle this new task. If not, we initialize a new module needed by the task and specify the inputs and outputs of this new module. After that, the new module is created by querying LLMs to generate corresponding code snippets that match the requirements. In order to get a better sense of the new module's ability, we treat few-shot training examples as test cases to see if our new module could pass these cases. If yes, the new module is added to the module library for future reuse. Finally, we evaluate the performance of our model on the testing set by executing the parsed programs with the newly made visual modules to get the results. We find the proposed model possesses several advantages. First, it performs competitively on standard tasks like visual question answering and referring expression comprehension; Second, the modules learned from one task can be seamlessly transferred to new tasks; Last but not least, it is able to adapt to new visual reasoning tasks by observing a few training examples and reusing modules.

Leveraging Training Data in Few-Shot Prompting for Numerical Reasoning

Chain-of-thought (CoT) prompting with large language models has proven effective in numerous natural language processing tasks, but designing prompts that generalize well to diverse problem types can be challenging, especially in the context of math word problem (MWP) solving. Additionally, it is common to have a large amount of training data that have a better diversity coverage but CoT annotations are not available, which limits the use of supervised learning techniques. To address these issues, we investigate two approaches to leverage the training data in a few-shot prompting scenario: dynamic program prompting and program distillation. Our approach is largely inspired by Gao et al., (2022), where they proposed to replace the CoT with the programs as the intermediate reasoning step. Such a prompting strategy allows us to accurately verify the answer correctness through program execution in MWP solving. Our dynamic program prompting involves annotating the training data by sampling correct programs from a large language model, while program distillation involves adapting a smaller model to the program-annotated training data. Our experiments on three standard MWP datasets demonstrate the effectiveness of these approaches, yielding significant improvements over previous baselines for prompting and fine-tuning. Our results suggest that leveraging a large amount of training data can improve the generalization ability of prompts and boost the performance of fine-tuned small models in MWP solving.

A Study of Global and Episodic Bonuses for Exploration in Contextual MDPs

Exploration in environments which differ across episodes has received increasing attention in recent years. Current methods use some combination of global novelty bonuses, computed using the agent's entire training experience, and episodic novelty bonuses, computed using only experience from the current episode. However, the use of these two types of bonuses has been ad-hoc and poorly understood. In this work, we shed light on the behavior of these two types of bonuses through controlled experiments on easily interpretable tasks as well as challenging pixel-based settings. We find that the two types of bonuses succeed in different settings, with episodic bonuses being most effective when there is little shared structure across episodes and global bonuses being effective when more structure is shared. We develop a conceptual framework which makes this notion of shared structure precise by considering the variance of the value function across contexts, and which provides a unifying explanation of our empirical results. We furthermore find that combining the two bonuses can lead to more robust performance across different degrees of shared structure, and investigate different algorithmic choices for defining and combining global and episodic bonuses based on function approximation. This results in an algorithm which sets a new state of the art across 16 tasks from the MiniHack suite used in prior work, and also performs robustly on Habitat and Montezuma's Revenge.

Programmable Motion Generation for Open-Set Motion Control Tasks

Character animation in real-world scenarios necessitates a variety of constraints, such as trajectories, key-frames, interactions, etc. Existing methodologies typically treat single or a finite set of these constraint(s) as separate control tasks. They are often specialized, and the tasks they address are rarely extendable or customizable. We categorize these as solutions to the close-set motion control problem. In response to the complexity of practical motion control, we propose and attempt to solve the open-set motion control problem. This problem is characterized by an open and fully customizable set of motion control tasks. To address this, we introduce a new paradigm, programmable motion generation. In this paradigm, any given motion control task is broken down into a combination of atomic constraints. These constraints are then programmed into an error function that quantifies the degree to which a motion sequence adheres to them. We utilize a pre-trained motion generation model and optimize its latent code to minimize the error function of the generated motion. Consequently, the generated motion not only inherits the prior of the generative model but also satisfies the required constraints. Experiments show that we can generate high-quality motions when addressing a wide range of unseen tasks. These tasks encompass motion control by motion dynamics, geometric constraints, physical laws, interactions with scenes, objects or the character own body parts, etc. All of these are achieved in a unified approach, without the need for ad-hoc paired training data collection or specialized network designs. During the programming of novel tasks, we observed the emergence of new skills beyond those of the prior model. With the assistance of large language models, we also achieved automatic programming. We hope that this work will pave the way for the motion control of general AI agents.

Prompt Recursive Search: A Living Framework with Adaptive Growth in LLM Auto-Prompting

Large Language Models (LLMs) exhibit remarkable proficiency in addressing a diverse array of tasks within the Natural Language Processing (NLP) domain, with various prompt design strategies significantly augmenting their capabilities. However, these prompts, while beneficial, each possess inherent limitations. The primary prompt design methodologies are twofold: The first, exemplified by the Chain of Thought (CoT), involves manually crafting prompts specific to individual datasets, hence termed Expert-Designed Prompts (EDPs). Once these prompts are established, they are unalterable, and their effectiveness is capped by the expertise of the human designers. When applied to LLMs, the static nature of EDPs results in a uniform approach to both simple and complex problems within the same dataset, leading to the inefficient use of tokens for straightforward issues. The second method involves prompts autonomously generated by the LLM, known as LLM-Derived Prompts (LDPs), which provide tailored solutions to specific problems, mitigating the limitations of EDPs. However, LDPs may encounter a decline in performance when tackling complex problems due to the potential for error accumulation during the solution planning process. To address these challenges, we have conceived a novel Prompt Recursive Search (PRS) framework that leverages the LLM to generate solutions specific to the problem, thereby conserving tokens. The framework incorporates an assessment of problem complexity and an adjustable structure, ensuring a reduction in the likelihood of errors. We have substantiated the efficacy of PRS framework through extensive experiments using LLMs with different numbers of parameters across a spectrum of datasets in various domains. Compared to the CoT method, the PRS method has increased the accuracy on the BBH dataset by 8% using Llama3-7B model, achieving a 22% improvement.

OmniACT: A Dataset and Benchmark for Enabling Multimodal Generalist Autonomous Agents for Desktop and Web

For decades, human-computer interaction has fundamentally been manual. Even today, almost all productive work done on the computer necessitates human input at every step. Autonomous virtual agents represent an exciting step in automating many of these menial tasks. Virtual agents would empower users with limited technical proficiency to harness the full possibilities of computer systems. They could also enable the efficient streamlining of numerous computer tasks, ranging from calendar management to complex travel bookings, with minimal human intervention. In this paper, we introduce OmniACT, the first-of-a-kind dataset and benchmark for assessing an agent's capability to generate executable programs to accomplish computer tasks. Our scope extends beyond traditional web automation, covering a diverse range of desktop applications. The dataset consists of fundamental tasks such as "Play the next song", as well as longer horizon tasks such as "Send an email to John Doe mentioning the time and place to meet". Specifically, given a pair of screen image and a visually-grounded natural language task, the goal is to generate a script capable of fully executing the task. We run several strong baseline language model agents on our benchmark. The strongest baseline, GPT-4, performs the best on our benchmark However, its performance level still reaches only 15% of the human proficiency in generating executable scripts capable of completing the task, demonstrating the challenge of our task for conventional web agents. Our benchmark provides a platform to measure and evaluate the progress of language model agents in automating computer tasks and motivates future work towards building multimodal models that bridge large language models and the visual grounding of computer screens.

RoboMatrix: A Skill-centric Hierarchical Framework for Scalable Robot Task Planning and Execution in Open-World

Existing policy learning methods predominantly adopt the task-centric paradigm, necessitating the collection of task data in an end-to-end manner. Consequently, the learned policy tends to fail to tackle novel tasks. Moreover, it is hard to localize the errors for a complex task with multiple stages due to end-to-end learning. To address these challenges, we propose RoboMatrix, a skill-centric and hierarchical framework for scalable task planning and execution. We first introduce a novel skill-centric paradigm that extracts the common meta-skills from different complex tasks. This allows for the capture of embodied demonstrations through a kill-centric approach, enabling the completion of open-world tasks by combining learned meta-skills. To fully leverage meta-skills, we further develop a hierarchical framework that decouples complex robot tasks into three interconnected layers: (1) a high-level modular scheduling layer; (2) a middle-level skill layer; and (3) a low-level hardware layer. Experimental results illustrate that our skill-centric and hierarchical framework achieves remarkable generalization performance across novel objects, scenes, tasks, and embodiments. This framework offers a novel solution for robot task planning and execution in open-world scenarios. Our software and hardware are available at https://github.com/WayneMao/RoboMatrix.

Robot Utility Models: General Policies for Zero-Shot Deployment in New Environments

Robot models, particularly those trained with large amounts of data, have recently shown a plethora of real-world manipulation and navigation capabilities. Several independent efforts have shown that given sufficient training data in an environment, robot policies can generalize to demonstrated variations in that environment. However, needing to finetune robot models to every new environment stands in stark contrast to models in language or vision that can be deployed zero-shot for open-world problems. In this work, we present Robot Utility Models (RUMs), a framework for training and deploying zero-shot robot policies that can directly generalize to new environments without any finetuning. To create RUMs efficiently, we develop new tools to quickly collect data for mobile manipulation tasks, integrate such data into a policy with multi-modal imitation learning, and deploy policies on-device on Hello Robot Stretch, a cheap commodity robot, with an external mLLM verifier for retrying. We train five such utility models for opening cabinet doors, opening drawers, picking up napkins, picking up paper bags, and reorienting fallen objects. Our system, on average, achieves 90% success rate in unseen, novel environments interacting with unseen objects. Moreover, the utility models can also succeed in different robot and camera set-ups with no further data, training, or fine-tuning. Primary among our lessons are the importance of training data over training algorithm and policy class, guidance about data scaling, necessity for diverse yet high-quality demonstrations, and a recipe for robot introspection and retrying to improve performance on individual environments. Our code, data, models, hardware designs, as well as our experiment and deployment videos are open sourced and can be found on our project website: https://robotutilitymodels.com

OpenAGI: When LLM Meets Domain Experts

Human intelligence excels at combining basic skills to solve complex tasks. This capability is vital for Artificial Intelligence (AI) and should be embedded in comprehensive intelligent models, enabling them to harness expert models for complex task-solving towards Artificial General Intelligence (AGI). Large Language Models (LLMs) show promising learning and reasoning abilities, and can effectively use external models, tools or APIs to tackle complex problems. In this work, we introduce OpenAGI, an open-source AGI research platform designed for multi-step, real-world tasks. Specifically, OpenAGI uses a dual strategy, integrating standard benchmark tasks for benchmarking and evaluation, and open-ended tasks including more expandable models, tools or APIs for creative problem-solving. Tasks are presented as natural language queries to the LLM, which then selects and executes appropriate models. We also propose a Reinforcement Learning from Task Feedback (RLTF) mechanism that uses task results to improve the LLM's ability, which creates a self-improving AI feedback loop. While we acknowledge that AGI is a broad and multifaceted research challenge with no singularly defined solution path, the integration of LLMs with domain-specific expert models, inspired by mirroring the blend of general and specialized intelligence in humans, offers a promising approach towards AGI. We are open-sourcing the OpenAGI project's code, dataset, benchmarks, evaluation methods, and demo to foster community involvement in AGI advancement: https://github.com/agiresearch/OpenAGI.

Augmenting Autotelic Agents with Large Language Models

Humans learn to master open-ended repertoires of skills by imagining and practicing their own goals. This autotelic learning process, literally the pursuit of self-generated (auto) goals (telos), becomes more and more open-ended as the goals become more diverse, abstract and creative. The resulting exploration of the space of possible skills is supported by an inter-individual exploration: goal representations are culturally evolved and transmitted across individuals, in particular using language. Current artificial agents mostly rely on predefined goal representations corresponding to goal spaces that are either bounded (e.g. list of instructions), or unbounded (e.g. the space of possible visual inputs) but are rarely endowed with the ability to reshape their goal representations, to form new abstractions or to imagine creative goals. In this paper, we introduce a language model augmented autotelic agent (LMA3) that leverages a pretrained language model (LM) to support the representation, generation and learning of diverse, abstract, human-relevant goals. The LM is used as an imperfect model of human cultural transmission; an attempt to capture aspects of humans' common-sense, intuitive physics and overall interests. Specifically, it supports three key components of the autotelic architecture: 1)~a relabeler that describes the goals achieved in the agent's trajectories, 2)~a goal generator that suggests new high-level goals along with their decomposition into subgoals the agent already masters, and 3)~reward functions for each of these goals. Without relying on any hand-coded goal representations, reward functions or curriculum, we show that LMA3 agents learn to master a large diversity of skills in a task-agnostic text-based environment.