most citedRobust FCC solute diffusion predictions from ab-initio machine learning methods

71 citations · 72 across the 5 of their papers we have counts for

collaborators

6 papers

cs.DB2026

CellChain: Benchmarking Cross-Scale Evidence Use for Perturbation Reasoning

Xue Xia, Yue Wang, Shuizhou Chen +6

Recent advances in foundation models and large-scale cellular perturbation datasets have driven growing interest in using LLMs to predict and reason about cellular responses. Biolo…

q-bio.CB2026★ 1 cited

Benchmarking virtual cell models for in-the-wild perturbation response

Xinjie Mao, Songming Zhang, Qianhong Wen +10

Virtual cell (VC) models aim to predict cellular responses to any perturbations in silico and have emerged as a promising approach for drug discovery and precision medicine. Yet, a…

cs.AI2026

AblateCell: A Reproduce-then-Ablate Agent for Virtual Cell Repositories

Xue Xia, Chengkai Yao, Mingyu Tsoi +10

Systematic ablations are essential to attribute performance gains in AI Virtual Cells, yet they are rarely performed because biological repositories are under-standardized and tigh…

cs.AI2026

HarmonyCell: Automating Single-Cell Perturbation Modeling under Semantic and Distribution Shifts

Wenxuan Huang, Mingyu Tsoi, Yanhao Huang +10

Single-cell perturbation studies face dual heterogeneity bottlenecks: (i) semantic heterogeneity--identical biological concepts encoded under incompatible metadata schemas across d…

cs.LG2026

SCALE:Scalable Conditional Atlas-Level Endpoint transport for virtual cell perturbation prediction

Shuizhou Chen, Lang Yu, Xueqin Lin +12

Virtual-cell models aim to predict how cell populations respond to perturbations, but control and treated cells are measured as unpaired populations, complicating the learning of p…

cond-mat.mtrl-sci2017★ 71 cited

Robust FCC solute diffusion predictions from ab-initio machine learning methods

Henry Wu, Aren Lorenson, Ben Anderson +4

We evaluate the performance of four machine learning methods for modeling and predicting FCC solute diffusion barriers. More than 200 FCC solute diffusion barriers from previous de…