activity
20192026
most citedDeepPurpose: a Deep Learning Library for Drug-Target Interaction Prediction

508 citations · 1k across the 48 of their papers we have counts for

collaborators
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7 papers · 1 filter

cs.AI2026

Resolving the bias-precision paradox with stochastic causal representation learning for personalized medicine

Peisong Zhang, Manqiang Peng, Yuxuan Wu +21

Estimating individualized treatment effects from longitudinal observational data is central to data-driven medicine, yet existing methods face a fundamental limitation: reducing co…

cs.AI2026

ClinicalReTrial: Clinical Trial Redesign with Self-Evolving Agents

Sixue Xing, Kerui Wu, Xuanye Xia +4

Clinical trials constitute a critical yet exceptionally challenging and costly stage of drug development ($2.6B per drug), where protocols are encoded as complex natural language…

cs.AI2025★ 3 cited

QCBench: Evaluating Large Language Models on Domain-Specific Quantitative Chemistry

Jiaqing Xie, Weida Wang, Ben Gao +5

Quantitative chemistry is central to modern chemical research, yet the ability of large language models (LLMs) to perform its rigorous, step-by-step calculations remains underexplo…

cs.AI2025★ 2 cited

Position: Intelligent Science Laboratory Requires the Integration of Cognitive and Embodied AI

Sha Zhang, Suorong Yang, Tong Xie +18

Scientific discovery has long been constrained by human limitations in expertise, physical capability, and sleep cycles. The recent rise of AI scientists and automated laboratories…

cs.AI2025

Scientists' First Exam: Probing Cognitive Abilities of MLLM via Perception, Understanding, and Reasoning

Yuhao Zhou, Yiheng Wang, Xuming He +26

Scientific discoveries increasingly rely on complex multimodal reasoning based on information-intensive scientific data and domain-specific expertise. Empowered by expert-level sci…

cs.AI2025★ 1 cited

Reasoning BO: Enhancing Bayesian Optimization with Long-Context Reasoning Power of LLMs

Zhuo Yang, Daolang Wang, Lingli Ge +3

Many real-world scientific and industrial applications require the optimization of expensive black-box functions. Bayesian Optimization (BO) provides an effective framework for suc…

cs.AI2023★ 2 cited

PyTrial: Machine Learning Software and Benchmark for Clinical Trial Applications

Zifeng Wang, Brandon Theodorou, Tianfan Fu +2

Clinical trials are conducted to test the effectiveness and safety of potential drugs in humans for regulatory approval. Machine learning (ML) has recently emerged as a new tool to…