activity
20242026
most citedActive Learning for Conditional Inverse Design with Crystal Generation and Foundation Atomic Models

1 citations · 2 across the 5 of their papers we have counts for

collaborators

9 papers

cs.AI2026

Bioinfoysis Technical Report

Qingyang Shao, Xin Zhang, Zhouyang Yuan +25

Large language model agents have shown promise in bioinformatics, but most existing systems focus primarily on producing final answers, treating planning, tool use, and code execut…

cs.AI2026

Harnessing agent memory to build lifelong AI partners for materials scientists

Siyu Liu, Bo Hu, Beilin Ye +3

Materials research advances through accumulated experience - scripts that work, protocols that are trusted, warnings attached to failed calculations or experiments, and judgement t…

cs.AI20261 cited

Mozi: Governed Autonomy for Drug Discovery LLM Agents

He Cao, Siyu Liu, Fan Zhang +7

Tool-augmented large language model (LLM) agents promise to unify scientific reasoning with computation, yet their deployment in high-stakes domains like drug discovery is bottlene…

cs.SE2025

BuildBench: Benchmarking LLM Agents on Compiling Real-World Open-Source Software

Zehua Zhang, Ati Priya Bajaj, Divij Handa +13

Automatically compiling open-source software (OSS) projects is a vital, labor-intensive, and complex task, which makes it a good challenge for LLM Agents. Existing methods rely on…

cond-mat.mtrl-sci2025

MatTools: Benchmarking Large Language Models for Materials Science Tools

Siyu Liu, Bo Hu, Beilin Ye +3

Large language models (LLMs) are increasingly applied to materials science questions, including literature comprehension, property prediction, materials discovery and alloy design.…

cond-mat.mtrl-sci20251 cited

Active Learning for Conditional Inverse Design with Crystal Generation and Foundation Atomic Models

Zhuoyuan Li, Siyu Liu, Beilin Ye +2

Artificial intelligence (AI) is transforming materials science, enabling both theoretical advancements and accelerated materials discovery. Recent progress in crystal generation mo…