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cs.LG2025
Learning 3D Anisotropic Noise Distributions Improves Molecular Force Field Modeling
Xixian Liu, Rui Jiao, Zhiyuan Liu +6
Coordinate denoising has emerged as a promising method for 3D molecular pretraining due to its theoretical connection to learning molecular force field. However, existing denoising…
cs.LG2025
Towards High Data Efficiency in Reinforcement Learning with Verifiable Reward
Xinyu Tang, Zhenduo Zhang, Yurou Liu +4
Recent advances in large reasoning models have leveraged reinforcement learning with verifiable rewards (RLVR) to improve reasoning capabilities. However, scaling these methods typ…
cs.LG2023
Atomic and Subgraph-aware Bilateral Aggregation for Molecular Representation Learning
Jiahao Chen, Yurou Liu, Jiangmeng Li +2
Molecular representation learning is a crucial task in predicting molecular properties. Molecules are often modeled as graphs where atoms and chemical bonds are represented as node…