Junyou Li

Haibin Zhou, Tong Wei, Zichuan Lin et al.

We study the adaption of Soft Actor-Critic (SAC), which is considered as a state-of-the-art reinforcement learning (RL) algorithm, from continuous action space to discrete action space. We revisit vanilla discrete SAC and provide an in-depth understanding of its Q value underestimation and performance instability issues when applied to discrete settings. We thereby propose Stable Discrete SAC (SDSAC), an algorithm that leverages entropy-penalty and double average Q-learning with Q-clip to address these issues. Extensive experiments on typical benchmarks with discrete action space, including Atari games and a large-scale MOBA game, show the efficacy of our proposed method. Our code is at: https://github.com/coldsummerday/SD-SAC.git.

Kexin Chen, Guangyong Chen, Junyou Li et al.

Artificial intelligence has deeply revolutionized the field of medicinal chemistry with many impressive applications, but the success of these applications requires a massive amount of training samples with high-quality annotations, which seriously limits the wide usage of data-driven methods. In this paper, we focus on the reaction yield prediction problem, which assists chemists in selecting high-yield reactions in a new chemical space only with a few experimental trials. To attack this challenge, we first put forth MetaRF, an attention-based differentiable random forest model specially designed for the few-shot yield prediction, where the attention weight of a random forest is automatically optimized by the meta-learning framework and can be quickly adapted to predict the performance of new reagents while given a few additional samples. To improve the few-shot learning performance, we further introduce a dimension-reduction based sampling method to determine valuable samples to be experimentally tested and then learned. Our methodology is evaluated on three different datasets and acquires satisfactory performance on few-shot prediction. In high-throughput experimentation (HTE) datasets, the average yield of our methodology's top 10 high-yield reactions is relatively close to the results of ideal yield selection.

Zhihui Xie, Zichuan Lin, Junyou Li et al.

The past few years have seen rapid progress in combining reinforcement learning (RL) with deep learning. Various breakthroughs ranging from games to robotics have spurred the interest in designing sophisticated RL algorithms and systems. However, the prevailing workflow in RL is to learn tabula rasa, which may incur computational inefficiency. This precludes continuous deployment of RL algorithms and potentially excludes researchers without large-scale computing resources. In many other areas of machine learning, the pretraining paradigm has shown to be effective in acquiring transferable knowledge, which can be utilized for a variety of downstream tasks. Recently, we saw a surge of interest in Pretraining for Deep RL with promising results. However, much of the research has been based on different experimental settings. Due to the nature of RL, pretraining in this field is faced with unique challenges and hence requires new design principles. In this survey, we seek to systematically review existing works in pretraining for deep reinforcement learning, provide a taxonomy of these methods, discuss each sub-field, and bring attention to open problems and future directions.

Kexin Chen, Jiamin Lu, Junyou Li et al.

Recent AI research plots a promising future of automatic chemical reactions within the chemistry society. This study proposes Chemist-X, a comprehensive AI agent that automates the reaction condition optimization (RCO) task in chemical synthesis with retrieval-augmented generation (RAG) technology and AI-controlled wet-lab experiment executions. To begin with, as an emulation on how chemical experts solve the RCO task, Chemist-X utilizes a novel RAG scheme to interrogate available molecular and literature databases to narrow the searching space for later processing. The agent then leverages a computer-aided design (CAD) tool we have developed through a large language model (LLM) supervised programming interface. With updated chemical knowledge obtained via RAG, as well as the ability in using CAD tools, our agent significantly outperforms conventional RCO AIs confined to the fixed knowledge within its training data. Finally, Chemist-X interacts with the physical world through an automated robotic system, which can validate the suggested chemical reaction condition without human interventions. The control of the robotic system was achieved with a novel algorithm we have developed for the equipment, which relies on LLMs for reliable script generation. Results of our automatic wet-lab experiments, achieved by fully LLM-supervised end-to-end operation with no human in the lope, prove Chemist-X's ability in self-driving laboratories.

Junyou Li, Qin Zhang, Yangbin Yu et al.

We find that, simply via a sampling-and-voting method, the performance of large language models (LLMs) scales with the number of agents instantiated. Also, this method, termed as Agent Forest, is orthogonal to existing complicated methods to further enhance LLMs, while the degree of enhancement is correlated to the task difficulty. We conduct comprehensive experiments on a wide range of LLM benchmarks to verify the presence of our finding, and to study the properties that can facilitate its occurrence. Our code is publicly available at: https://github.com/MoreAgentsIsAllYouNeed/AgentForest

Fuxiang Zhang, Junyou Li, Yi-Chen Li et al.

Low sample efficiency is an enduring challenge of reinforcement learning (RL). With the advent of versatile large language models (LLMs), recent works impart common-sense knowledge to accelerate policy learning for RL processes. However, we note that such guidance is often tailored for one specific task but loses generalizability. In this paper, we introduce a framework that harnesses LLMs to extract background knowledge of an environment, which contains general understandings of the entire environment, making various downstream RL tasks benefit from one-time knowledge representation. We ground LLMs by feeding a few pre-collected experiences and requesting them to delineate background knowledge of the environment. Afterward, we represent the output knowledge as potential functions for potential-based reward shaping, which has a good property for maintaining policy optimality from task rewards. We instantiate three variants to prompt LLMs for background knowledge, including writing code, annotating preferences, and assigning goals. Our experiments show that these methods achieve significant sample efficiency improvements in a spectrum of downstream tasks from Minigrid and Crafter domains.

Yangbin Yu, Qin Zhang, Junyou Li et al.

The emergence of large language models (LLMs) has significantly advanced the simulation of believable interactive agents. However, the substantial cost on maintaining the prolonged agent interactions poses challenge over the deployment of believable LLM-based agents. Therefore, in this paper, we develop Affordable Generative Agents (AGA), a framework for enabling the generation of believable and low-cost interactions on both agent-environment and inter-agents levels. Specifically, for agent-environment interactions, we substitute repetitive LLM inferences with learned policies; while for inter-agent interactions, we model the social relationships between agents and compress auxiliary dialogue information. Extensive experiments on multiple environments show the effectiveness and efficiency of our proposed framework. Also, we delve into the mechanisms of emergent believable behaviors lying in LLM agents, demonstrating that agents can only generate finite behaviors in fixed environments, based upon which, we understand ways to facilitate emergent interaction behaviors. Our code is publicly available at: https://github.com/AffordableGenerativeAgents/Affordable-Generative-Agents.

Kexin Chen, Yuyang Du, Junyou Li et al.

The development of AI-assisted chemical synthesis tools requires comprehensive datasets covering diverse reaction types, yet current high-throughput experimental (HTE) approaches are expensive and limited in scope. Chemical literature represents a vast, underexplored data source containing thousands of reactions published annually. However, extracting reaction information from literature faces significant challenges including varied writing styles, complex coreference relationships, and multimodal information presentation. This paper proposes ChemMiner, a novel end-to-end framework leveraging multiple agents powered by large language models (LLMs) to extract high-fidelity chemical data from literature. ChemMiner incorporates three specialized agents: a text analysis agent for coreference mapping, a multimodal agent for non-textual information extraction, and a synthesis analysis agent for data generation. Furthermore, we developed a comprehensive benchmark with expert-annotated chemical literature to evaluate both extraction efficiency and precision. Experimental results demonstrate reaction identification rates comparable to human chemists while significantly reducing processing time, with high accuracy, recall, and F1 scores. Our open-sourced benchmark facilitates future research in chemical literature data mining.

Fan Wu, Jiacheng Wei, Ruibo Li et al.

Video-based world models have recently garnered increasing attention for their ability to synthesize diverse and dynamic visual environments. In this paper, we focus on shared world modeling, where a model generates multiple videos from a set of input images, each representing the same underlying world in different camera poses. We propose IC-World, a novel generation framework, enabling parallel generation for all input images via activating the inherent in-context generation capability of large video models. We further finetune IC-World via reinforcement learning, Group Relative Policy Optimization, together with two proposed novel reward models to enforce scene-level geometry consistency and object-level motion consistency among the set of generated videos. Extensive experiments demonstrate that IC-World substantially outperforms state-of-the-art methods in both geometry and motion consistency. To the best of our knowledge, this is the first work to systematically explore the shared world modeling problem with video-based world models.

Anssi Kanervisto, Stephanie Milani, Karolis Ramanauskas et al.

Reinforcement learning competitions advance the field by providing appropriate scope and support to develop solutions toward a specific problem. To promote the development of more broadly applicable methods, organizers need to enforce the use of general techniques, the use of sample-efficient methods, and the reproducibility of the results. While beneficial for the research community, these restrictions come at a cost -- increased difficulty. If the barrier for entry is too high, many potential participants are demoralized. With this in mind, we hosted the third edition of the MineRL ObtainDiamond competition, MineRL Diamond 2021, with a separate track in which we permitted any solution to promote the participation of newcomers. With this track and more extensive tutorials and support, we saw an increased number of submissions. The participants of this easier track were able to obtain a diamond, and the participants of the harder track progressed the generalizable solutions in the same task.

Zichuan Lin, Junyou Li, Jianing Shi et al.

Learning rational behaviors in open-world games like Minecraft remains to be challenging for Reinforcement Learning (RL) research due to the compound challenge of partial observability, high-dimensional visual perception and delayed reward. To address this, we propose JueWu-MC, a sample-efficient hierarchical RL approach equipped with representation learning and imitation learning to deal with perception and exploration. Specifically, our approach includes two levels of hierarchy, where the high-level controller learns a policy to control over options and the low-level workers learn to solve each sub-task. To boost the learning of sub-tasks, we propose a combination of techniques including 1) action-aware representation learning which captures underlying relations between action and representation, 2) discriminator-based self-imitation learning for efficient exploration, and 3) ensemble behavior cloning with consistency filtering for policy robustness. Extensive experiments show that JueWu-MC significantly improves sample efficiency and outperforms a set of baselines by a large margin. Notably, we won the championship of the NeurIPS MineRL 2021 research competition and achieved the highest performance score ever.

Junyou Li, Gong Cheng, Qingxia Liu et al.

In a large-scale knowledge graph (KG), an entity is often described by a large number of triple-structured facts. Many applications require abridged versions of entity descriptions, called entity summaries. Existing solutions to entity summarization are mainly unsupervised. In this paper, we present a supervised approach NEST that is based on our novel neural model to jointly encode graph structure and text in KGs and generate high-quality diversified summaries. Since it is costly to obtain manually labeled summaries for training, our supervision is weak as we train with programmatically labeled data which may contain noise but is free of manual work. Evaluation results show that our approach significantly outperforms the state of the art on two public benchmarks.