arXiv subjects

Zongzhang Zhang

Publications and source records attributed to Zongzhang Zhang.

At least 37 records · Page 2Linked to original sources

arXiv2024

Retrosynthetic Planning with Dual Value Networks

Retrosynthesis, which aims to find a route to synthesize a target molecule from commercially available starting materials, is a critical task in drug discovery and materials design. Recently, the combination of ML-based single-step reaction predictors with multi-step planners has led to promising results. However, the single-step predictors are mostly trained offline to optimize the single-step accuracy, without considering complete routes. Here, we leverage reinforcement learning (RL) to improve the single-step predictor, by using a tree-shaped MDP to optimize complete routes. Specifically, we propose a novel online training algorithm, called Planning with Dual Value Networks (PDVN), which alternates between the planning phase and updating phase. In PDVN, we construct two separate value networks to predict the synthesizability and cost of molecules, respectively. To maintain the single-step accuracy, we design a two-branch network structure for the single-step predictor. On the widely-used USPTO dataset, our PDVN algorithm improves the search success rate of existing multi-step planners (e.g., increasing the success rate from 85.79% to 98.95% for Retro*, and reducing the number of model calls by half while solving 99.47% molecules for RetroGraph). Additionally, PDVN helps find shorter synthesis routes (e.g., reducing the average route length from 5.76 to 4.83 for Retro*, and from 5.63 to 4.78 for RetroGraph). Our code is available at \url{https://github.com/DiXue98/PDVN}.

cs.AI↗

arXiv2024

Attention-Guided Contrastive Role Representations for Multi-Agent Reinforcement Learning

Real-world multi-agent tasks usually involve dynamic team composition with the emergence of roles, which should also be a key to efficient cooperation in multi-agent reinforcement learning (MARL). Drawing inspiration from the correlation between roles and agent's behavior patterns, we propose a novel framework of **A**ttention-guided **CO**ntrastive **R**ole representation learning for **M**ARL (**ACORM**) to promote behavior heterogeneity, knowledge transfer, and skillful coordination across agents. First, we introduce mutual information maximization to formalize role representation learning, derive a contrastive learning objective, and concisely approximate the distribution of negative pairs. Second, we leverage an attention mechanism to prompt the global state to attend to learned role representations in value decomposition, implicitly guiding agent coordination in a skillful role space to yield more expressive credit assignment. Experiments on challenging StarCraft II micromanagement and Google research football tasks demonstrate the state-of-the-art performance of our method and its advantages over existing approaches. Our code is available at [https://github.com/NJU-RL/ACORM](https://github.com/NJU-RL/ACORM).

cs.MA↗

arXiv2024

ACT: Empowering Decision Transformer with Dynamic Programming via Advantage Conditioning

Decision Transformer (DT), which employs expressive sequence modeling techniques to perform action generation, has emerged as a promising approach to offline policy optimization. However, DT generates actions conditioned on a desired future return, which is known to bear some weaknesses such as the susceptibility to environmental stochasticity. To overcome DT's weaknesses, we propose to empower DT with dynamic programming. Our method comprises three steps. First, we employ in-sample value iteration to obtain approximated value functions, which involves dynamic programming over the MDP structure. Second, we evaluate action quality in context with estimated advantages. We introduce two types of advantage estimators, IAE and GAE, which are suitable for different tasks. Third, we train an Advantage-Conditioned Transformer (ACT) to generate actions conditioned on the estimated advantages. Finally, during testing, ACT generates actions conditioned on a desired advantage. Our evaluation results validate that, by leveraging the power of dynamic programming, ACT demonstrates effective trajectory stitching and robust action generation in spite of the environmental stochasticity, outperforming baseline methods across various benchmarks. Additionally, we conduct an in-depth analysis of ACT's various design choices through ablation studies. Our code is available at https://github.com/LAMDA-RL/ACT.

cs.LG↗

arXiv2023

Generalizable Task Representation Learning for Offline Meta-Reinforcement Learning with Data Limitations

Generalization and sample efficiency have been long-standing issues concerning reinforcement learning, and thus the field of Offline Meta-Reinforcement Learning~(OMRL) has gained increasing attention due to its potential of solving a wide range of problems with static and limited offline data. Existing OMRL methods often assume sufficient training tasks and data coverage to apply contrastive learning to extract task representations. However, such assumptions are not applicable in several real-world applications and thus undermine the generalization ability of the representations. In this paper, we consider OMRL with two types of data limitations: limited training tasks and limited behavior diversity and propose a novel algorithm called GENTLE for learning generalizable task representations in the face of data limitations. GENTLE employs Task Auto-Encoder~(TAE), which is an encoder-decoder architecture to extract the characteristics of the tasks. Unlike existing methods, TAE is optimized solely by reconstruction of the state transition and reward, which captures the generative structure of the task models and produces generalizable representations when training tasks are limited. To alleviate the effect of limited behavior diversity, we consistently construct pseudo-transitions to align the data distribution used to train TAE with the data distribution encountered during testing. Empirically, GENTLE significantly outperforms existing OMRL methods on both in-distribution tasks and out-of-distribution tasks across both the given-context protocol and the one-shot protocol.

cs.LG↗

arXiv2023

Imitator Learning: Achieve Out-of-the-Box Imitation Ability in Variable Environments

Imitation learning (IL) enables agents to mimic expert behaviors. Most previous IL techniques focus on precisely imitating one policy through mass demonstrations. However, in many applications, what humans require is the ability to perform various tasks directly through a few demonstrations of corresponding tasks, where the agent would meet many unexpected changes when deployed. In this scenario, the agent is expected to not only imitate the demonstration but also adapt to unforeseen environmental changes. This motivates us to propose a new topic called imitator learning (ItorL), which aims to derive an imitator module that can on-the-fly reconstruct the imitation policies based on very limited expert demonstrations for different unseen tasks, without any extra adjustment. In this work, we focus on imitator learning based on only one expert demonstration. To solve ItorL, we propose Demo-Attention Actor-Critic (DAAC), which integrates IL into a reinforcement-learning paradigm that can regularize policies' behaviors in unexpected situations. Besides, for autonomous imitation policy building, we design a demonstration-based attention architecture for imitator policy that can effectively output imitated actions by adaptively tracing the suitable states in demonstrations. We develop a new navigation benchmark and a robot environment for \topic~and show that DAAC~outperforms previous imitation methods \textit{with large margins} both on seen and unseen tasks.

cs.LG↗

arXiv2023

Policy Regularization with Dataset Constraint for Offline Reinforcement Learning

We consider the problem of learning the best possible policy from a fixed dataset, known as offline Reinforcement Learning (RL). A common taxonomy of existing offline RL works is policy regularization, which typically constrains the learned policy by distribution or support of the behavior policy. However, distribution and support constraints are overly conservative since they both force the policy to choose similar actions as the behavior policy when considering particular states. It will limit the learned policy's performance, especially when the behavior policy is sub-optimal. In this paper, we find that regularizing the policy towards the nearest state-action pair can be more effective and thus propose Policy Regularization with Dataset Constraint (PRDC). When updating the policy in a given state, PRDC searches the entire dataset for the nearest state-action sample and then restricts the policy with the action of this sample. Unlike previous works, PRDC can guide the policy with proper behaviors from the dataset, allowing it to choose actions that do not appear in the dataset along with the given state. It is a softer constraint but still keeps enough conservatism from out-of-distribution actions. Empirical evidence and theoretical analysis show that PRDC can alleviate offline RL's fundamentally challenging value overestimation issue with a bounded performance gap. Moreover, on a set of locomotion and navigation tasks, PRDC achieves state-of-the-art performance compared with existing methods. Code is available at https://github.com/LAMDA-RL/PRDC

cs.LG↗

arXiv2023

Language Model Self-improvement by Reinforcement Learning Contemplation

Large Language Models (LLMs) have exhibited remarkable performance across various natural language processing (NLP) tasks. However, fine-tuning these models often necessitates substantial supervision, which can be expensive and time-consuming to obtain. This paper introduces a novel unsupervised method called LanguageModel Self-Improvement by Reinforcement Learning Contemplation (SIRLC) that improves LLMs without reliance on external labels. Our approach is grounded in the observation that it is simpler for language models to assess text quality than to generate text. Building on this insight, SIRLC assigns LLMs dual roles as both student and teacher. As a student, the LLM generates answers to unlabeled questions, while as a teacher, it evaluates the generated text and assigns scores accordingly. The model parameters are updated using reinforcement learning to maximize the evaluation score. We demonstrate that SIRLC can be applied to various NLP tasks, such as reasoning problems, text generation, and machine translation. Our experiments show that SIRLC effectively improves LLM performance without external supervision, resulting in a 5.6% increase in answering accuracy for reasoning tasks and a rise in BERTScore from 0.82 to 0.86 for translation tasks. Furthermore, SIRLC can be applied to models of different sizes, showcasing its broad applicability.

cs.CL↗

arXiv2023

Robust Multi-agent Communication via Multi-view Message Certification

Many multi-agent scenarios require message sharing among agents to promote coordination, hastening the robustness of multi-agent communication when policies are deployed in a message perturbation environment. Major relevant works tackle this issue under specific assumptions, like a limited number of message channels would sustain perturbations, limiting the efficiency in complex scenarios. In this paper, we take a further step addressing this issue by learning a robust multi-agent communication policy via multi-view message certification, dubbed CroMAC. Agents trained under CroMAC can obtain guaranteed lower bounds on state-action values to identify and choose the optimal action under a worst-case deviation when the received messages are perturbed. Concretely, we first model multi-agent communication as a multi-view problem, where every message stands for a view of the state. Then we extract a certificated joint message representation by a multi-view variational autoencoder (MVAE) that uses a product-of-experts inference network. For the optimization phase, we do perturbations in the latent space of the state for a certificate guarantee. Then the learned joint message representation is used to approximate the certificated state representation during training. Extensive experiments in several cooperative multi-agent benchmarks validate the effectiveness of the proposed CroMAC.

cs.MA↗

arXiv2023

How To Guide Your Learner: Imitation Learning with Active Adaptive Expert Involvement

Imitation learning aims to mimic the behavior of experts without explicit reward signals. Passive imitation learning methods which use static expert datasets typically suffer from compounding error, low sample efficiency, and high hyper-parameter sensitivity. In contrast, active imitation learning methods solicit expert interventions to address the limitations. However, recent active imitation learning methods are designed based on human intuitions or empirical experience without theoretical guarantee. In this paper, we propose a novel active imitation learning framework based on a teacher-student interaction model, in which the teacher's goal is to identify the best teaching behavior and actively affect the student's learning process. By solving the optimization objective of this framework, we propose a practical implementation, naming it AdapMen. Theoretical analysis shows that AdapMen can improve the error bound and avoid compounding error under mild conditions. Experiments on the MetaDrive benchmark and Atari 2600 games validate our theoretical analysis and show that our method achieves near-expert performance with much less expert involvement and total sampling steps than previous methods. The code is available at https://github.com/liuxhym/AdapMen.

cs.LG↗

arXiv2023

Efficient Communication via Self-supervised Information Aggregation for Online and Offline Multi-agent Reinforcement Learning

Utilizing messages from teammates can improve coordination in cooperative Multi-agent Reinforcement Learning (MARL). Previous works typically combine raw messages of teammates with local information as inputs for policy. However, neglecting message aggregation poses significant inefficiency for policy learning. Motivated by recent advances in representation learning, we argue that efficient message aggregation is essential for good coordination in cooperative MARL. In this paper, we propose Multi-Agent communication via Self-supervised Information Aggregation (MASIA), where agents can aggregate the received messages into compact representations with high relevance to augment the local policy. Specifically, we design a permutation invariant message encoder to generate common information-aggregated representation from messages and optimize it via reconstructing and shooting future information in a self-supervised manner. Hence, each agent would utilize the most relevant parts of the aggregated representation for decision-making by a novel message extraction mechanism. Furthermore, considering the potential of offline learning for real-world applications, we build offline benchmarks for multi-agent communication, which is the first as we know. Empirical results demonstrate the superiority of our method in both online and offline settings. We also release the built offline benchmarks in this paper as a testbed for communication ability validation to facilitate further future research.

cs.LG↗

arXiv2022

Deep Anomaly Detection and Search via Reinforcement Learning

Semi-supervised Anomaly Detection (AD) is a kind of data mining task which aims at learning features from partially-labeled datasets to help detect outliers. In this paper, we classify existing semi-supervised AD methods into two categories: unsupervised-based and supervised-based, and point out that most of them suffer from insufficient exploitation of labeled data and under-exploration of unlabeled data. To tackle these problems, we propose Deep Anomaly Detection and Search (DADS), which applies Reinforcement Learning (RL) to balance exploitation and exploration. During the training process, the agent searches for possible anomalies with hierarchically-structured datasets and uses the searched anomalies to enhance performance, which in essence draws lessons from the idea of ensemble learning. Experimentally, we compare DADS with several state-of-the-art methods in the settings of leveraging labeled known anomalies to detect both other known anomalies and unknown anomalies. Results show that DADS can efficiently and precisely search anomalies from unlabeled data and learn from them, thus achieving good performance.

cs.LG↗

arXiv2022

Multi-agent Dynamic Algorithm Configuration

Automated algorithm configuration relieves users from tedious, trial-and-error tuning tasks. A popular algorithm configuration tuning paradigm is dynamic algorithm configuration (DAC), in which an agent learns dynamic configuration policies across instances by reinforcement learning (RL). However, in many complex algorithms, there may exist different types of configuration hyperparameters, and such heterogeneity may bring difficulties for classic DAC which uses a single-agent RL policy. In this paper, we aim to address this issue and propose multi-agent DAC (MA-DAC), with one agent working for one type of configuration hyperparameter. MA-DAC formulates the dynamic configuration of a complex algorithm with multiple types of hyperparameters as a contextual multi-agent Markov decision process and solves it by a cooperative multi-agent RL (MARL) algorithm. To instantiate, we apply MA-DAC to a well-known optimization algorithm for multi-objective optimization problems. Experimental results show the effectiveness of MA-DAC in not only achieving superior performance compared with other configuration tuning approaches based on heuristic rules, multi-armed bandits, and single-agent RL, but also being capable of generalizing to different problem classes. Furthermore, we release the environments in this paper as a benchmark for testing MARL algorithms, with the hope of facilitating the application of MARL.

cs.LG↗

arXiv2022

Model Generation with Provable Coverability for Offline Reinforcement Learning

Model-based offline optimization with dynamics-aware policy provides a new perspective for policy learning and out-of-distribution generalization, where the learned policy could adapt to different dynamics enumerated at the training stage. But due to the limitation under the offline setting, the learned model could not mimic real dynamics well enough to support reliable out-of-distribution exploration, which still hinders policy to generalize well. To narrow the gap, previous works roughly ensemble randomly initialized models to better approximate the real dynamics. However, such practice is costly and inefficient, and provides no guarantee on how well the real dynamics could be approximated by the learned models, which we name coverability in this paper. We actively address this issue by generating models with provable ability to cover real dynamics in an efficient and controllable way. To that end, we design a distance metric for dynamic models based on the occupancy of policies under the dynamics, and propose an algorithm to generate models optimizing their coverage for the real dynamics. We give a theoretical analysis on the model generation process and proves that our algorithm could provide enhanced coverability. As a downstream task, we train a dynamics-aware policy with minor or no conservative penalty, and experiments demonstrate that our algorithm outperforms prior offline methods on existing offline RL benchmarks. We also discover that policies learned by our method have better zero-shot transfer performance, implying their better generalization.

cs.LG↗

arXiv2022

Multi-Agent Policy Transfer via Task Relationship Modeling

Team adaptation to new cooperative tasks is a hallmark of human intelligence, which has yet to be fully realized in learning agents. Previous work on multi-agent transfer learning accommodate teams of different sizes, heavily relying on the generalization ability of neural networks for adapting to unseen tasks. We believe that the relationship among tasks provides the key information for policy adaptation. In this paper, we try to discover and exploit common structures among tasks for more efficient transfer, and propose to learn effect-based task representations as a common space of tasks, using an alternatively fixed training scheme. We demonstrate that the task representation can capture the relationship among tasks, and can generalize to unseen tasks. As a result, the proposed method can help transfer learned cooperation knowledge to new tasks after training on a few source tasks. We also find that fine-tuning the transferred policies help solve tasks that are hard to learn from scratch.

cs.AI↗

arXiv2020

Efficient Deep Reinforcement Learning via Adaptive Policy Transfer

Transfer Learning (TL) has shown great potential to accelerate Reinforcement Learning (RL) by leveraging prior knowledge from past learned policies of relevant tasks. Existing transfer approaches either explicitly computes the similarity between tasks or select appropriate source policies to provide guided explorations for the target task. However, how to directly optimize the target policy by alternatively utilizing knowledge from appropriate source policies without explicitly measuring the similarity is currently missing. In this paper, we propose a novel Policy Transfer Framework (PTF) to accelerate RL by taking advantage of this idea. Our framework learns when and which source policy is the best to reuse for the target policy and when to terminate it by modeling multi-policy transfer as the option learning problem. PTF can be easily combined with existing deep RL approaches. Experimental results show it significantly accelerates the learning process and surpasses state-of-the-art policy transfer methods in terms of learning efficiency and final performance in both discrete and continuous action spaces.

cs.LG↗

arXiv2020

Triple-GAIL: A Multi-Modal Imitation Learning Framework with Generative Adversarial Nets

Generative adversarial imitation learning (GAIL) has shown promising results by taking advantage of generative adversarial nets, especially in the field of robot learning. However, the requirement of isolated single modal demonstrations limits the scalability of the approach to real world scenarios such as autonomous vehicles' demand for a proper understanding of human drivers' behavior. In this paper, we propose a novel multi-modal GAIL framework, named Triple-GAIL, that is able to learn skill selection and imitation jointly from both expert demonstrations and continuously generated experiences with data augmentation purpose by introducing an auxiliary skill selector. We provide theoretical guarantees on the convergence to optima for both of the generator and the selector respectively. Experiments on real driver trajectories and real-time strategy game datasets demonstrate that Triple-GAIL can better fit multi-modal behaviors close to the demonstrators and outperforms state-of-the-art methods.

cs.LG↗

arXiv2019

Monte-Carlo Tree Search for Policy Optimization

Gradient-based methods are often used for policy optimization in deep reinforcement learning, despite being vulnerable to local optima and saddle points. Although gradient-free methods (e.g., genetic algorithms or evolution strategies) help mitigate these issues, poor initialization and local optima are still concerns in highly nonconvex spaces. This paper presents a method for policy optimization based on Monte-Carlo tree search and gradient-free optimization. Our method, called Monte-Carlo tree search for policy optimization (MCTSPO), provides a better exploration-exploitation trade-off through the use of the upper confidence bound heuristic. We demonstrate improved performance on reinforcement learning tasks with deceptive or sparse reward functions compared to popular gradient-based and deep genetic algorithm baselines.

cs.LG↗

arXiv2019

Hierarchical Deep Multiagent Reinforcement Learning with Temporal Abstraction

Multiagent reinforcement learning (MARL) is commonly considered to suffer from non-stationary environments and exponentially increasing policy space. It would be even more challenging when rewards are sparse and delayed over long trajectories. In this paper, we study hierarchical deep MARL in cooperative multiagent problems with sparse and delayed reward. With temporal abstraction, we decompose the problem into a hierarchy of different time scales and investigate how agents can learn high-level coordination based on the independent skills learned at the low level. Three hierarchical deep MARL architectures are proposed to learn hierarchical policies under different MARL paradigms. Besides, we propose a new experience replay mechanism to alleviate the issue of the sparse transitions at the high level of abstraction and the non-stationarity of multiagent learning. We empirically demonstrate the effectiveness of our approaches in two domains with extremely sparse feedback: (1) a variety of Multiagent Trash Collection tasks, and (2) a challenging online mobile game, i.e., Fever Basketball Defense.

cs.LG↗