Binjie Guo

Binjie Guo, Hanyu Zheng, Guowei Su et al.

Recent years have witnessed significant progress in reinforcement learning, especially with Zero-like paradigms, which have greatly boosted the generalization and reasoning abilities of large-scale language models. Nevertheless, existing frameworks are often plagued by high implementation complexity and poor reproducibility. To tackle these challenges, we present AlphaZero-Edu, a lightweight, education-focused implementation built upon the mathematical framework of AlphaZero. It boasts a modular architecture that disentangles key components, enabling transparent visualization of the algorithmic processes. Additionally, it is optimized for resource-efficient training on a single NVIDIA RTX 3090 GPU and features highly parallelized self-play data generation, achieving a 3.2-fold speedup with 8 processes. In Gomoku matches, the framework has demonstrated exceptional performance, achieving a consistently high win rate against human opponents. AlphaZero-Edu has been open-sourced at https://github.com/StarLight1212/AlphaZero_Edu, providing an accessible and practical benchmark for both academic research and industrial applications.

Binjie Guo, Hanyu Zheng, Haohan Jiang et al.

Due to the lack of a method to efficiently represent the multimodal information of a protein, including its structure and sequence information, predicting compound-protein binding affinity (CPA) still suffers from low accuracy when applying machine learning methods. To overcome this limitation, in a novel end-to-end architecture (named FeatNN), we develop a coevolutionary strategy to jointly represent the structure and sequence features of proteins and ultimately optimize the mathematical models for predicting CPA. Furthermore, from the perspective of data-driven approach, we proposed a rational method that can utilize both high- and low-quality databases to optimize the accuracy and generalization ability of FeatNN in CPA prediction tasks. Notably, we visually interpret the feature interaction process between sequence and structure in the rationally designed architecture. As a result, FeatNN considerably outperforms the state-of-the-art (SOTA) baseline in virtual drug screening tasks, indicating the feasibility of this approach for practical use. FeatNN provides an outstanding method for higher CPA prediction accuracy and better generalization ability by efficiently representing multimodal information of proteins via a coevolutionary strategy.