Wu Lijun

Qizhi Pei, Lijun Wu, Kaiyuan Gao et al.

The integration of biomolecular modeling with natural language (BL) has emerged as a promising interdisciplinary area at the intersection of artificial intelligence, chemistry and biology. This approach leverages the rich, multifaceted descriptions of biomolecules contained within textual data sources to enhance our fundamental understanding and enable downstream computational tasks such as biomolecule property prediction. The fusion of the nuanced narratives expressed through natural language with the structural and functional specifics of biomolecules described via various molecular modeling techniques opens new avenues for comprehensively representing and analyzing biomolecules. By incorporating the contextual language data that surrounds biomolecules into their modeling, BL aims to capture a holistic view encompassing both the symbolic qualities conveyed through language as well as quantitative structural characteristics. In this review, we provide an extensive analysis of recent advancements achieved through cross modeling of biomolecules and natural language. (1) We begin by outlining the technical representations of biomolecules employed, including sequences, 2D graphs, and 3D structures. (2) We then examine in depth the rationale and key objectives underlying effective multi-modal integration of language and molecular data sources. (3) We subsequently survey the practical applications enabled to date in this developing research area. (4) We also compile and summarize the available resources and datasets to facilitate future work. (5) Looking ahead, we identify several promising research directions worthy of further exploration and investment to continue advancing the field. The related resources and contents are updating in \url{https://github.com/QizhiPei/Awesome-Biomolecule-Language-Cross-Modeling}.

Zhiyuan Li, Wenshuai Zhao, Lijun Wu et al.

In multi-agent reinforcement learning, centralized training with decentralized execution (CTDE) methods typically assume that agents make decisions based on their local observations independently, which may not lead to a correlated joint policy with coordination. Coordination can be explicitly encouraged during training and individual policies can be trained to imitate the correlated joint policy. However, this may lead to an \textit{asymmetric learning failure} due to the observation mismatch between the joint and individual policies. Inspired by the concept of correlated equilibrium, we introduce a \textit{strategy modification} called AgentMixer that allows agents to correlate their policies. AgentMixer combines individual partially observable policies into a joint fully observable policy non-linearly. To enable decentralized execution, we introduce \textit{Individual-Global-Consistency} to guarantee mode consistency during joint training of the centralized and decentralized policies and prove that AgentMixer converges to an $ε$-approximate Correlated Equilibrium. In the Multi-Agent MuJoCo, SMAC-v2, Matrix Game, and Predator-Prey benchmarks, AgentMixer outperforms or matches state-of-the-art methods.