US MichiganStatistics Dec 15
Studies machine learning theory and sequential decision making, with applications in chemistry and psychiatry.
2026 A characterization of list language identification in the limit COLT 2026 A semantic-based community model for high-fidelity tuning of olfactory mixture distances PNAS 41 T167 papers10 members88 alumniSG NUSDepartment of Computer Science Dec 15
Develops machine learning for scientific discovery, including AI for drug discovery and models of molecules and proteins.
2026 A Survey of Reinforcement Learning for Large Language Models under Data Scarcity: Challenges and Solutions ACL 2026 CrystalDiT: Simple Diffusion Transformers for Crystal Generation AAAI 34 T139 papers3 members24 alumniCN SJTUSchool of Computer Science May 31
Shikui Tu Tenured Associate Professor Works on machine learning and its applications in bioinformatics and drug discovery.
2026 Beyond Instance-Level Alignment: Dual-Level Optimal Transport for Audio-Text Retrieval ICLR 2026 Factored Causal Representation Learning for Robust Reward Modeling in RLHF ICML 20 T152 papersGroup size not listed HK CUHKDepartment of Computer Science and Engineering Dec 1
Develops AI methods for physics, chemistry, materials science and biology, such as molecular representation learning.
2026 BioSafetyBench: Agentic Cascade Evaluation for the Bio-AI Ecosystem NeurIPS 2026 InertialAR: Autoregressive 3D Molecule Generation with Inertial Frames ICML 19 T133 papers1 memberCN PekingSchool of Computer Science Jan 15
Researches formal verification and algorithms in the Institute of Software, and develops generative models for molecules and proteins, including latent…
2026 Beyond Conservation: Flexible Molecular Assembly with Unbalanced Diffusion Bridge AAAI 2026 Beyond Single View: A Comprehensive Benchmark for Medical Multimodal Large Language Models on Multi-Image Understanding ACL 18 T134 papersGroup size not listed US StanfordComputer Science Dec 8
Ron Dror Cheriton Family Professor Combines molecular simulation and machine learning to study biomolecular structure and drug discovery.
2026 Mechanism of gating and isoform-specific inhibition in renal CLC chloride channels PNAS 2026 Molecular mechanism of exchange coupling in CLC chloride/proton antiporters Nature Communications 18 T133 papers9 members36 alumniUS UWPaul G. Allen School of Computer Science & Engineering Dec 15
Develops generative AI models for biomedicine, including pathology foundation models and chromatin structure prediction.
2026 A generalizable Hi-C foundation model for chromatin architecture, single-cell and multi-omics analysis across species Nature Methods (Accept in Principle) 2026 OCTCube-M: A 3D multimodal optical coherence tomography foundation model for retinal and systemic diseases with cross-cohort and cross-device validation Nature Biomedical Engineering (Accept in Principle) 14 T125 papers7 members2 alumniUS MITElectrical Engineering and Computer Science Dec 1
Connor W. Coley Associate Professor, Warren K. Lewis Professor in Chemical Engineering Develops machine learning and generative AI for chemistry, including computer-aided retrosynthesis, reaction prediction, and synthesizable molecular design.
2026 Efficient and Programmable Exploration of Synthesizable Chemical Space TMLR 2026 FRIGID: Scaling Diffusion-Based Molecular Generation from Mass Spectra at Training and Inference Time ICLR 13 T183 papers20 members58 alumniUS MITBrain and Cognitive Sciences Dec 1
Studies human and computer vision and touch, including how robots perceive the visual and mechanical properties of materials.
2025 Grasp EveryThing (GET): 1-DoF, 3-Fingered Gripper with Tactile Sensing for Robust Grasping IROS 2025 PolyTouch: A Robust Multi-Modal Tactile Sensor for Contact-Rich Manipulation Using Tactile-Diffusion Policies ICRA 12 T118 papersGroup size not listed CN SJTUSchool of Artificial Intelligence May 31
Works on AI for life sciences, including virtual cell modeling, target discovery and drug development.
2026 An Agentic System for Rare Disease Diagnosis with Traceable Reasoning Nature 2026 3DReasonKnee: Advancing Grounded Reasoning in Medical Vision Language Models PSB 11 T132 papersGroup size not listed CH EPFLSchool of Computer and Communication Sciences (IC) Dec 1
Charlotte Bunne Tenure Track Assistant Professor Develops AI methods that model human biology across molecules, cells, tissues and patients, such as predicting cellular responses to perturbations for…
2026 Latent causal diffusions for single-cell perturbation modeling PNAS 2026 Measure Less, Know More: Self-Supervised Test-Time Feature Acquisition NeurIPS 10 T116 papers10 members10 alumniUS UIUCSiebel School of Computing and Data Science Dec 1
Ge Liu Assistant Professor Develops machine learning methods for biology, including generative models for protein and molecule design.
2026 h-MINT: Modeling Pocket-Ligand Binding with Hierarchical Molecular Interaction Network ICLR 2026 Incentivizing Consistent, Effective and Scalable Reasoning Capability in Audio LLMs via Reasoning Process Rewards ICLR 10 T116 papersGroup size not listed CN SJTUSchool of Computer Science May 31
Works on AI for science, applying machine learning and large language models to biology, chemistry, materials and medicine.
2026 Calibrating Uncertainty for Zero-Shot Adversarial CLIP ICML 2026 EpiCoCo: De Novo Epitope Generation via MHC-Context Co-Modeling and Contrastive Affinity Guidance ICML 10 T134 papers15 membersSG NUSDepartment of Computer Science Dec 15
Develops AI and deep learning methods for protein and RNA structure prediction (I-TASSER), protein design and drug discovery.
2026 A Paired Sequence Language Model for Protein-Protein Interaction Modeling Nature Communications 2026 A graphic and command line protocol for quick and accurate comparisons of protein and nucleic acid structures with US-align Nature Protocols, 21: 517-541 10 T128 papers23 membersUS Georgia TechSchool of Computational Science and Engineering Dec 15
Yunan Luo Assistant Professor Develops machine learning methods for computational biology and protein engineering.
2026 Deconvolving mutation effects on protein stability and function with disentangled protein language models RECOMB 2026 Evolutionary profile enhancement improves protein function annotation RECOMB 8 T121 papers7 members2 alumniCA TorontoComputer Science Dec 1
Develops machine learning for molecular and materials discovery and autonomous self-driving laboratories.
2026 Colour me shocked: Exact Molecular Hessians from local MLIPs in O(N) time using sparse differentiation! NeurIPS 2026 Active Learning‐Accelerated Discovery of Fibrous Hydrogels with Tissue‐Mimetic Viscoelasticity Advanced Functional Materials 7 T143 papers17 members64 alumniGB UCLDepartment of Computer Science
Brooks Paige Associate Professor in Machine Learning Develops interpretable probabilistic machine learning models that complement human expertise, including applications in chemistry and medicine.
2026 CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2 Journal of Chemical Information and Modeling 2025 Effects of Dropout on Performance in Long-range Graph Learning Tasks NeurIPS 7 T112 papersGroup size not listed US UT AustinComputer Science Dec 15
Etienne Vouga Vice Chair and Associate Professor Works on physical simulation of thin elastic materials and discrete geometry processing for graphics and computational design.
2026 Better Bending: Analysis, Construction and Verification of Discrete Bending Models for Kirchhoff-Love Shells TOG 2026 Recovering Physically Plausible Human-Object Interactions from Monocular Videos CVPR 7 T110 papersGroup size not listed US UT AustinComputer Science Dec 15
Chandrajit Bajaj Professor, Computational Applied Mathematics Chair in Visualization Develops algorithms for geometric modeling, imaging data science and bioinformatics, including molecular modeling from cryo-EM voxel maps and data…
2026 GRL-SNAM: Geometric Reinforcement Learning with Differential Hamiltonians for Navigation and Mapping in Unknown Environments ICLR 2026 Posterior-Aware Motor Phenotyping with Multimodal Imaging Validation in Parkinson's Disease MICCAI 6 T113 papers8 members27 alumniUS MITElectrical Engineering and Computer Science Dec 1
Develops Euclidean neural networks that respect the symmetries of physical space, such as e3nn, for molecular and materials simulation.
2025 A Tale of Two Symmetries: Exploring the Loss Landscape of Equivariant Models NeurIPS 2025 The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products ICML 6 T112 papers9 members16 alumni