arXiv subjects

Doina Precup

Publications and source records attributed to Doina Precup.

At least 55 records · Page 3Linked to original sources

arXiv2025

SCAR: Shapley Credit Assignment for More Efficient RLHF

Reinforcement Learning from Human Feedback (RLHF) is a widely used technique for aligning Large Language Models (LLMs) with human preferences, yet it often suffers from sparse reward signals, making effective credit assignment challenging. In typical setups, the reward model provides a single scalar score for an entire generated sequence, offering little insight into which token or span-level decisions were responsible for the outcome. To address this, we propose Shapley Credit Assignment Rewards (SCAR), a novel method that leverages Shapley values in cooperative game theory. SCAR distributes the total sequence-level reward among constituent tokens or text spans based on their principled marginal contributions. This creates dense reward signals, crucially, without necessitating the training of auxiliary critique models or recourse to fine-grained human annotations at intermediate generation stages. Unlike prior dense reward methods, SCAR offers a game-theoretic foundation for fair credit attribution. Theoretically, we demonstrate that SCAR preserves the original optimal policy, and empirically, across diverse tasks including sentiment control, text summarization, and instruction tuning, we show that SCAR converges significantly faster and achieves higher final reward scores compared to standard RLHF and attention-based dense reward baselines. Our findings suggest that SCAR provides a more effective and theoretically sound method for credit assignment in RLHF, leading to more efficient alignment of LLMs.

cs.AI↗

arXiv2025

Uncovering a Universal Abstract Algorithm for Modular Addition in Neural Networks

We propose a testable universality hypothesis, asserting that seemingly disparate neural network solutions observed in the simple task of modular addition are unified under a common abstract algorithm. While prior work interpreted variations in neuron-level representations as evidence for distinct algorithms, we demonstrate - through multi-level analyses spanning neurons, neuron clusters, and entire networks - that multilayer perceptrons and transformers universally implement the abstract algorithm we call the approximate Chinese Remainder Theorem. Crucially, we introduce approximate cosets and show that neurons activate exclusively on them. Furthermore, our theory works for deep neural networks (DNNs). It predicts that universally learned solutions in DNNs with trainable embeddings or more than one hidden layer require only O(log n) features, a result we empirically confirm. This work thus provides the first theory-backed interpretation of multilayer networks solving modular addition. It advances generalizable interpretability and opens a testable universality hypothesis for group multiplication beyond modular addition.

cs.LG↗

arXiv2025

Cracking the Code of Action: a Generative Approach to Affordances for Reinforcement Learning

Agents that can autonomously navigate the web through a graphical user interface (GUI) using a unified action space (e.g., mouse and keyboard actions) can require very large amounts of domain-specific expert demonstrations to achieve good performance. Low sample efficiency is often exacerbated in sparse-reward and large-action-space environments, such as a web GUI, where only a few actions are relevant in any given situation. In this work, we consider the low-data regime, with limited or no access to expert behavior. To enable sample-efficient learning, we explore the effect of constraining the action space through $\textit{intent-based affordances}$ -- i.e., considering in any situation only the subset of actions that achieve a desired outcome. We propose $\textbf{Code as Generative Affordances}$ $(\textbf{$\texttt{CoGA}$})$, a method that leverages pre-trained vision-language models (VLMs) to generate code that determines affordable actions through implicit intent-completion functions and using a fully-automated program generation and verification pipeline. These programs are then used in-the-loop of a reinforcement learning agent to return a set of affordances given a pixel observation. By greatly reducing the number of actions that an agent must consider, we demonstrate on a wide range of tasks in the MiniWob++ benchmark that: $\textbf{1)}$ $\texttt{CoGA}$ is orders of magnitude more sample efficient than its RL agent, $\textbf{2)}$ $\texttt{CoGA}$'s programs can generalize within a family of tasks, and $\textbf{3)}$ $\texttt{CoGA}$ performs better or on par compared with behavior cloning when a small number of expert demonstrations is available.

cs.AI↗

arXiv2025

Functional Acceleration for Policy Mirror Descent

We apply functional acceleration to the Policy Mirror Descent (PMD) general family of algorithms, which cover a wide range of novel and fundamental methods in Reinforcement Learning (RL). Leveraging duality, we propose a momentum-based PMD update. By taking the functional route, our approach is independent of the policy parametrization and applicable to large-scale optimization, covering previous applications of momentum at the level of policy parameters as a special case. We theoretically analyze several properties of this approach and complement with a numerical ablation study, which serves to illustrate the policy optimization dynamics on the value polytope, relative to different algorithmic design choices in this space. We further characterize numerically several features of the problem setting relevant for functional acceleration, and lastly, we investigate the impact of approximation on their learning mechanics.

cs.LG↗

arXiv2025

Agency Is Frame-Dependent

Agency is a system's capacity to steer outcomes toward a goal, and is a central topic of study across biology, philosophy, cognitive science, and artificial intelligence. Determining if a system exhibits agency is a notoriously difficult question: Dennett (1989), for instance, highlights the puzzle of determining which principles can decide whether a rock, a thermostat, or a robot each possess agency. We here address this puzzle from the viewpoint of reinforcement learning by arguing that agency is fundamentally frame-dependent: Any measurement of a system's agency must be made relative to a reference frame. We support this claim by presenting a philosophical argument that each of the essential properties of agency proposed by Barandiaran et al. (2009) and Moreno (2018) are themselves frame-dependent. We conclude that any basic science of agency requires frame-dependence, and discuss the implications of this claim for reinforcement learning.

cs.AI↗

arXiv2025

Langevin Soft Actor-Critic: Efficient Exploration through Uncertainty-Driven Critic Learning

Existing actor-critic algorithms, which are popular for continuous control reinforcement learning (RL) tasks, suffer from poor sample efficiency due to lack of principled exploration mechanism within them. Motivated by the success of Thompson sampling for efficient exploration in RL, we propose a novel model-free RL algorithm, Langevin Soft Actor Critic (LSAC), which prioritizes enhancing critic learning through uncertainty estimation over policy optimization. LSAC employs three key innovations: approximate Thompson sampling through distributional Langevin Monte Carlo (LMC) based $Q$ updates, parallel tempering for exploring multiple modes of the posterior of the $Q$ function, and diffusion synthesized state-action samples regularized with $Q$ action gradients. Our extensive experiments demonstrate that LSAC outperforms or matches the performance of mainstream model-free RL algorithms for continuous control tasks. Notably, LSAC marks the first successful application of an LMC based Thompson sampling in continuous control tasks with continuous action spaces.

cs.LG↗

arXiv2024

Fairness in Reinforcement Learning with Bisimulation Metrics

Ensuring long-term fairness is crucial when developing automated decision making systems, specifically in dynamic and sequential environments. By maximizing their reward without consideration of fairness, AI agents can introduce disparities in their treatment of groups or individuals. In this paper, we establish the connection between bisimulation metrics and group fairness in reinforcement learning. We propose a novel approach that leverages bisimulation metrics to learn reward functions and observation dynamics, ensuring that learners treat groups fairly while reflecting the original problem. We demonstrate the effectiveness of our method in addressing disparities in sequential decision making problems through empirical evaluation on a standard fairness benchmark consisting of lending and college admission scenarios.

cs.LG↗

arXiv2024

Mitigating Downstream Model Risks via Model Provenance

Research and industry are rapidly advancing the innovation and adoption of foundation model-based systems, yet the tools for managing these models have not kept pace. Understanding the provenance and lineage of models is critical for researchers, industry, regulators, and public trust. While model cards and system cards were designed to provide transparency, they fall short in key areas: tracing model genealogy, enabling machine readability, offering reliable centralized management systems, and fostering consistent creation incentives. This challenge mirrors issues in software supply chain security, but AI/ML remains at an earlier stage of maturity. Addressing these gaps requires industry-standard tooling that can be adopted by foundation model publishers, open-source model innovators, and major distribution platforms. We propose a machine-readable model specification format to simplify the creation of model records, thereby reducing error-prone human effort, notably when a new model inherits most of its design from a foundation model. Our solution explicitly traces relationships between upstream and downstream models, enhancing transparency and traceability across the model lifecycle. To facilitate the adoption, we introduce the unified model record (UMR) repository , a semantically versioned system that automates the publication of model records to multiple formats (PDF, HTML, LaTeX) and provides a hosted web interface (https://modelrecord.com/). This proof of concept aims to set a new standard for managing foundation models, bridging the gap between innovation and responsible model management.

cs.LG↗

arXiv2024

MaestroMotif: Skill Design from Artificial Intelligence Feedback

Describing skills in natural language has the potential to provide an accessible way to inject human knowledge about decision-making into an AI system. We present MaestroMotif, a method for AI-assisted skill design, which yields high-performing and adaptable agents. MaestroMotif leverages the capabilities of Large Language Models (LLMs) to effectively create and reuse skills. It first uses an LLM's feedback to automatically design rewards corresponding to each skill, starting from their natural language description. Then, it employs an LLM's code generation abilities, together with reinforcement learning, for training the skills and combining them to implement complex behaviors specified in language. We evaluate MaestroMotif using a suite of complex tasks in the NetHack Learning Environment (NLE), demonstrating that it surpasses existing approaches in both performance and usability.

cs.AI↗

arXiv2024

Parseval Regularization for Continual Reinforcement Learning

Loss of plasticity, trainability loss, and primacy bias have been identified as issues arising when training deep neural networks on sequences of tasks -- all referring to the increased difficulty in training on new tasks. We propose to use Parseval regularization, which maintains orthogonality of weight matrices, to preserve useful optimization properties and improve training in a continual reinforcement learning setting. We show that it provides significant benefits to RL agents on a suite of gridworld, CARL and MetaWorld tasks. We conduct comprehensive ablations to identify the source of its benefits and investigate the effect of certain metrics associated to network trainability including weight matrix rank, weight norms and policy entropy.

cs.LG↗

arXiv2024

Reaction-conditioned De Novo Enzyme Design with GENzyme

The introduction of models like RFDiffusionAA, AlphaFold3, AlphaProteo, and Chai1 has revolutionized protein structure modeling and interaction prediction, primarily from a binding perspective, focusing on creating ideal lock-and-key models. However, these methods can fall short for enzyme-substrate interactions, where perfect binding models are rare, and induced fit states are more common. To address this, we shift to a functional perspective for enzyme design, where the enzyme function is defined by the reaction it catalyzes. Here, we introduce \textsc{GENzyme}, a \textit{de novo} enzyme design model that takes a catalytic reaction as input and generates the catalytic pocket, full enzyme structure, and enzyme-substrate binding complex. \textsc{GENzyme} is an end-to-end, three-staged model that integrates (1) a catalytic pocket generation and sequence co-design module, (2) a pocket inpainting and enzyme inverse folding module, and (3) a binding and screening module to optimize and predict enzyme-substrate complexes. The entire design process is driven by the catalytic reaction being targeted. This reaction-first approach allows for more accurate and biologically relevant enzyme design, potentially surpassing structure-based and binding-focused models in creating enzymes capable of catalyzing specific reactions. We provide \textsc{GENzyme} code at https://github.com/WillHua127/GENzyme.

q-bio.BM↗

arXiv2024

QGFN: Controllable Greediness with Action Values

Generative Flow Networks (GFlowNets; GFNs) are a family of energy-based generative methods for combinatorial objects, capable of generating diverse and high-utility samples. However, consistently biasing GFNs towards producing high-utility samples is non-trivial. In this work, we leverage connections between GFNs and reinforcement learning (RL) and propose to combine the GFN policy with an action-value estimate, $Q$, to create greedier sampling policies which can be controlled by a mixing parameter. We show that several variants of the proposed method, QGFN, are able to improve on the number of high-reward samples generated in a variety of tasks without sacrificing diversity.

cs.LG↗

arXiv2024

Offline Multitask Representation Learning for Reinforcement Learning

We study offline multitask representation learning in reinforcement learning (RL), where a learner is provided with an offline dataset from different tasks that share a common representation and is asked to learn the shared representation. We theoretically investigate offline multitask low-rank RL, and propose a new algorithm called MORL for offline multitask representation learning. Furthermore, we examine downstream RL in reward-free, offline and online scenarios, where a new task is introduced to the agent that shares the same representation as the upstream offline tasks. Our theoretical results demonstrate the benefits of using the learned representation from the upstream offline task instead of directly learning the representation of the low-rank model.

cs.LG↗

arXiv2024

Learning Successor Features the Simple Way

In Deep Reinforcement Learning (RL), it is a challenge to learn representations that do not exhibit catastrophic forgetting or interference in non-stationary environments. Successor Features (SFs) offer a potential solution to this challenge. However, canonical techniques for learning SFs from pixel-level observations often lead to representation collapse, wherein representations degenerate and fail to capture meaningful variations in the data. More recent methods for learning SFs can avoid representation collapse, but they often involve complex losses and multiple learning phases, reducing their efficiency. We introduce a novel, simple method for learning SFs directly from pixels. Our approach uses a combination of a Temporal-difference (TD) loss and a reward prediction loss, which together capture the basic mathematical definition of SFs. We show that our approach matches or outperforms existing SF learning techniques in both 2D (Minigrid), 3D (Miniworld) mazes and Mujoco, for both single and continual learning scenarios. As well, our technique is efficient, and can reach higher levels of performance in less time than other approaches. Our work provides a new, streamlined technique for learning SFs directly from pixel observations, with no pretraining required.

cs.LG↗

arXiv2024

Adaptive Exploration for Data-Efficient General Value Function Evaluations

General Value Functions (GVFs) (Sutton et al., 2011) represent predictive knowledge in reinforcement learning. Each GVF computes the expected return for a given policy, based on a unique reward. Existing methods relying on fixed behavior policies or pre-collected data often face data efficiency issues when learning multiple GVFs in parallel using off-policy methods. To address this, we introduce GVFExplorer, which adaptively learns a single behavior policy that efficiently collects data for evaluating multiple GVFs in parallel. Our method optimizes the behavior policy by minimizing the total variance in return across GVFs, thereby reducing the required environmental interactions. We use an existing temporal-difference-style variance estimator to approximate the return variance. We prove that each behavior policy update decreases the overall mean squared error in GVF predictions. We empirically show our method's performance in tabular and nonlinear function approximation settings, including Mujoco environments, with stationary and non-stationary reward signals, optimizing data usage and reducing prediction errors across multiple GVFs.

cs.LG↗

arXiv2024

Training Language Models to Self-Correct via Reinforcement Learning

Self-correction is a highly desirable capability of large language models (LLMs), yet it has consistently been found to be largely ineffective in modern LLMs. Current methods for training self-correction typically depend on either multiple models, a more advanced model, or additional forms of supervision. To address these shortcomings, we develop a multi-turn online reinforcement learning (RL) approach, SCoRe, that significantly improves an LLM's self-correction ability using entirely self-generated data. To build SCoRe, we first show that variants of supervised fine-tuning (SFT) on offline model-generated correction traces are often insufficient for instilling self-correction behavior. In particular, we observe that training via SFT falls prey to either a distribution mismatch between mistakes made by the data-collection policy and the model's own responses, or to behavior collapse, where learning implicitly prefers only a certain mode of correction behavior that is often not effective at self-correction on test problems. SCoRe addresses these challenges by training under the model's own distribution of self-generated correction traces and using appropriate regularization to steer the learning process into learning a self-correction behavior that is effective at test time as opposed to fitting high-reward responses for a given prompt. This regularization process includes an initial phase of multi-turn RL on a base model to generate a policy initialization that is less susceptible to collapse, followed by using a reward bonus to amplify self-correction. With Gemini 1.0 Pro and 1.5 Flash models, we find that SCoRe achieves state-of-the-art self-correction performance, improving the base models' self-correction by 15.6% and 9.1% respectively on MATH and HumanEval.

cs.LG↗

arXiv2024

ReactZyme: A Benchmark for Enzyme-Reaction Prediction

Enzymes, with their specific catalyzed reactions, are necessary for all aspects of life, enabling diverse biological processes and adaptations. Predicting enzyme functions is essential for understanding biological pathways, guiding drug development, enhancing bioproduct yields, and facilitating evolutionary studies. Addressing the inherent complexities, we introduce a new approach to annotating enzymes based on their catalyzed reactions. This method provides detailed insights into specific reactions and is adaptable to newly discovered reactions, diverging from traditional classifications by protein family or expert-derived reaction classes. We employ machine learning algorithms to analyze enzyme reaction datasets, delivering a much more refined view on the functionality of enzymes. Our evaluation leverages the largest enzyme-reaction dataset to date, derived from the SwissProt and Rhea databases with entries up to January 8, 2024. We frame the enzyme-reaction prediction as a retrieval problem, aiming to rank enzymes by their catalytic ability for specific reactions. With our model, we can recruit proteins for novel reactions and predict reactions in novel proteins, facilitating enzyme discovery and function annotation (https://github.com/WillHua127/ReactZyme).

cs.LG↗

arXiv2024

EnzymeFlow: Generating Reaction-specific Enzyme Catalytic Pockets through Flow Matching and Co-Evolutionary Dynamics

Enzyme design is a critical area in biotechnology, with applications ranging from drug development to synthetic biology. Traditional methods for enzyme function prediction or protein binding pocket design often fall short in capturing the dynamic and complex nature of enzyme-substrate interactions, particularly in catalytic processes. To address the challenges, we introduce EnzymeFlow, a generative model that employs flow matching with hierarchical pre-training and enzyme-reaction co-evolution to generate catalytic pockets for specific substrates and catalytic reactions. Additionally, we introduce a large-scale, curated, and validated dataset of enzyme-reaction pairs, specifically designed for the catalytic pocket generation task, comprising a total of $328,192$ pairs. By incorporating evolutionary dynamics and reaction-specific adaptations, EnzymeFlow becomes a powerful model for designing enzyme pockets, which is capable of catalyzing a wide range of biochemical reactions. Experiments on the new dataset demonstrate the model's effectiveness in designing high-quality, functional enzyme catalytic pockets, paving the way for advancements in enzyme engineering and synthetic biology. We provide EnzymeFlow code at https://github.com/WillHua127/EnzymeFlow with notebook demonstration at https://github.com/WillHua127/EnzymeFlow/blob/main/enzymeflow_demo.ipynb.

cs.LG↗