108 citations · 109 across the 9 of their papers we have counts for
9 papers
Plausibility Is Not Prediction: Contrastive Evidence for LLM-Based Cellular Perturbation Reasoning
Xinyu Yuan, Xixian Liu, Jianan Zhao +3
Perturbation experiments are central to understanding cellular mechanisms, but remain costly and sparse, motivating prediction of gene expression responses for unobserved condition…
MatterSim-MT: A multi-task foundation model for in silico materials characterization
Han Yang, Xixian Liu, Chenxi Hu +25
Accurate property characterization is a major bottleneck in materials design. While first-principles methods and task-specific machine-learning models have driven important progres…
Learning Structure, Energy, and Dynamics: A Survey of Artificial Intelligence for Protein Dynamics
Haocheng Tang, Liang Shi, Ya-Shi Zhang +3
Protein dynamics underlie many biological functions, yet remain difficult to characterize due to the high computational cost of molecular dynamics simulations and the scarcity of d…
PerturbDiff: Functional Diffusion for Single-Cell Perturbation Modeling
Xinyu Yuan, Xixian Liu, Ya Shi Zhang +3
Building Virtual Cells that can accurately simulate cellular responses to perturbations is a long-standing goal in systems biology. A fundamental challenge is that high-throughput…
GeneZip: Region-Aware Compression for Long Context DNA Modeling
Jianan Zhao, Xixian Liu, Zhihao Zhan +3
Long-context DNA models are limited by token-mixing cost and by how compression allocates representational budget across the genome. Existing approaches operate close to base-pair…
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…
Probing the Limit of Heat Transfer in Inorganic Crystals with Deep Learning
Jielan Li, Zekun Chen, Qian Wang +21
Heat transfer is a fundamental property of matter. Research spanning decades has attempted to discover materials with exceptional thermal conductivity, yet the upper limit remains…
Nature Language Model: Deciphering the Language of Nature for Scientific Discovery
Yingce Xia, Peiran Jin, Shufang Xie +43
Foundation models have revolutionized natural language processing and artificial intelligence, significantly enhancing how machines comprehend and generate human languages. Inspire…
MatterSim: A Deep Learning Atomistic Model Across Elements, Temperatures and Pressures
Han Yang, Chenxi Hu, Yichi Zhou +19
Accurate and fast prediction of materials properties is central to the digital transformation of materials design. However, the vast design space and diverse operating conditions p…