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20242026
most citedChemMiner: A Large Language Model Agent System for Chemical Literature Data Mining

9 citations · 15 across the 20 of their papers we have counts for

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8 papers · 1 filter

cs.LG2026

NoiseRater: Meta-Learned Noise Valuation for Diffusion Model Training

Fang Wu, Haokai Zhao, Da Xing +18

Training a diffusion model involves two sources of randomness for each data sample: the timestep and the Gaussian noise realization. The timestep has been studied extensively throu…

cs.LG2026

Proteo-R1: Reasoning Foundation Models for De Novo Protein Design

Fang Wu, Weihao Xuan, Heli Qi +26

Deep learning in de novo protein design has achieved atomic-level fidelity. However, existing models remain largely non-deliberative: they directly synthesize molecular geometries…

cs.LG2026

RiboSphere: Learning Unified and Efficient Representations of RNA Structures

Zhou Zhang, Hanqun Cao, Cheng Tan +3

Accurate RNA structure modeling remains difficult because RNA backbones are highly flexible, non-canonical interactions are prevalent, and experimentally determined 3D structures a…

cs.LG2025★ 1 cited

From Supervision to Exploration: What Does Protein Language Model Learn During Reinforcement Learning?

Hanqun Cao, Hongrui Zhang, Junde Xu +12

Protein language models (PLMs) have advanced computational protein science through large-scale pretraining and scalable architectures. In parallel, reinforcement learning (RL) has…

cs.LG2025★ 1 cited

A deep reinforcement learning platform for antibiotic discovery

Hanqun Cao, Marcelo D. T. Torres, Jingjie Zhang +8

Antimicrobial resistance (AMR) is projected to cause up to 10 million deaths annually by 2050, underscoring the urgent need for new antibiotics. Here we present ApexAmphion, a deep…

cs.LG2025

Position: The Hidden Costs and Measurement Gaps of Reinforcement Learning with Verifiable Rewards

Fang Wu, Aaron Tu, Weihao Xuan +21

Reinforcement learning with verifiable rewards (RLVR) is a practical, scalable way to improve large language models on math, code, and other structured tasks. However, we argue tha…

cs.LG2025★ 1 cited

Lightweight MSA Design Advances Protein Folding From Evolutionary Embeddings

Hanqun Cao, Xinyi Zhou, Zijun Gao +7

Protein structure prediction often hinges on multiple sequence alignments (MSAs), which underperform on low-homology and orphan proteins. We introduce PLAME, a lightweight MSA desi…

cs.LG2024

DEL-Ranking: Ranking-Correction Denoising Framework for Elucidating Molecular Affinities in DNA-Encoded Libraries

Hanqun Cao, Mutian He, Ning Ma +3

DNA-encoded library (DEL) screening has revolutionized the detection of protein-ligand interactions through read counts, enabling rapid exploration of vast chemical spaces. However…