|
Publication (* indicates equal contribution)
MGB: The Material Generation Benchmark
Liang Yan, Beom Seok Kang, Maurice D. Hanisch, Jian Ma, Anima Anandkumar
[Paper] [Code] [Poster]
Presented at NeurIPS 2025 AI4Mat Workshop
In Submission
Geometric Imbalance in Semi-Supervised Node Classification
Liang Yan, Shengzhong Zhang, Bisheng Li, Menglin Yang, Chen Yang, Min Zhou, Weiyang Ding, Yutong Xie, Zengfeng Huang
[Project Page] [Paper] [Arxiv] [OpenReview] [Code] [Slides]
Presented at ICML 2025 DataWorld Workshop
NeurIPS 2025
Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design
Shengchao Liu* (co-first), Liang Yan* (co-first), Weitao Du, Weiyang Liu, Zhuoxinran Li, Hongyu Guo, Christian Borgs, Jennifer Chayes, Anima Anandkumar
[Project Page] [Paper] [Arxiv] [OpenReview] [Code] [Slides]
Presented at ICML 2024 GRaM Workshop
Proceedings of the National Academy of Sciences 2025 (PNAS 2025)
An Adaptive Autoregressive Diffusion Approach to Design Active Humanized Antibody and Nanobody
Jian Ma, Fandi Wu, Tingyang Xu, Shaoyong Xu, Wei Liu, Liang Yan, Minghao Qu, Xiaoke Yang, Qifeng Bai, Junyu Xiao, Jianhua Yao
[Project Page] [Paper] [Arxiv] [OpenReview] [Code] [Slides]
Nature Machine Intelligence 2025
A Multi-Grained Symmetric Differential Equation Model for Learning Protein-Ligand Binding Dynamics
Shengchao Liu, Weitao Du, Hannan Xu, Yanjing Li, Zhuoxinran Li, Vignesh Bhethanabotla, Liang Yan, Christian Borgs, Anima Anandkumar, Hongyu Guo, Jennifer Chayes
[Project Page] [Paper] [Arxiv] [OpenReview] [Code] [Slides]
ICLR AI4DifferentialEquations Workshop 2024 Oral
Nature Communications 2025
NeuralCrystal: A Geometric Foundation Model for Crystalline Material Discovery
Shengchao Liu* (co-first), Liang (Divin) Yan* (co-first), Weitao Du, Zhuoxinran Li, Zhiling Zheng, Omar Yaghi, Christian Borgs, Hongyu Guo, Anima Anandkumar, Jennifer Chayes
[Project Page] [paper] [Code]
NeurIPS 2024 AI4Mat Workshop
CrystalFlow: An Equivariant Flow Matching Framework for Learning Molecular Crystallization
Shengchao Liu, Liang (Divin) Yan, Hongyu Guo, Anima Anandkumar
[Project Page] [paper] [Code]
ICML 2024 GRaM Workshop, ICML 2024 ML4LMS Workshop
Hierarchical Graph Latent Diffusion Model for Conditional Molecule Generation
Tian Bian, Yifan Niu, Heng Chang, Liang (Divin) Yan, Tingyang Xu, Yu Rong, Jia Li, Hong Cheng
[Project Page] [paper] [OpenReview] [Code] [Slides]
CIKM 2024
Rethinking Semi-Supervised Imbalanced Node Classification from Bias-Variance Decomposition
Liang Yan, Gengchen Wei, Chen Yang, Shengzhong Zhang, Zengfeng Huang
[Project Page] [Paper] [Arxiv] [Code] [Slides] [Poster]
NeurIPS 2023
Training Class-Imbalanced Diffusion Model Via Overlap Optimization
Liang (Divin) Yan, Lu Qi, Vincent Tao Hu, Ming-Hsuan Yang, Meng Tang
[Project Page] [Arxiv] [OpenReview] [Code] [Slides]
Arxiv 2024
Physics Informed Spectral Element Network with Positional Parameter
Gengchen Wei, Liang Yan, Lei Bai, Wanli Ouyang, Chen Lin
[Project Page] [Arxiv] [OpenReview] [Code] [Slides]
Preprint 2024
|