Publications (28)
Tackling Climate Change with Machine Learning
David Rolnick, Priya L. Donti, Lynn H. Kaack +19
Xtal2DoS: Attention-based Crystal to Sequence Learning for Density of States Prediction
Junwen Bai, Yuanqi Du, Yingheng Wang +3
Scalable First-Order Bayesian Optimization via Structured Automatic Differentiation
Sebastian Ament, Carla Gomes
A new perspective on building efficient and expressive 3D equivariant graph neural networks
Weitao Du, Yuanqi Du, Limei Wang +5
Understanding Batch Normalization
Johan Bjorck, Carla Gomes, Bart Selman +1
Sparse Bayesian Learning via Stepwise Regression
Sebastian Ament, Carla Gomes
Disentangled Variational Autoencoder based Multi-Label Classification with Covariance-Aware Multivariate Probit Model
Junwen Bai, Shufeng Kong, Carla Gomes
On the Optimality of Backward Regression: Sparse Recovery and Subset Selection
Sebatian Ament, Carla Gomes
Position: Multimodal Large Language Models Can Significantly Advance Scientific Reasoning
Yibo Yan, Shen Wang, Jiahao Huo +7
No Trick, No Treat: Pursuits and Challenges Towards Simulation-free Training of Neural Samplers
Jiajun He, Yuanqi Du, Francisco Vargas +5
Critic Loss for Image Classification
Brendan Hogan Rappazzo, Aaron Ferber, Carla Gomes
Structure-based Drug Design with Equivariant Diffusion Models
Arne Schneuing, Charles Harris, Yuanqi Du +10
Left Heavy Tails and the Effectiveness of the Policy and Value Networks in DNN-based best-first search for Sokoban Planning
Dieqiao Feng, Carla Gomes, Bart Selman
Deep Multi-Species Embedding
Di Chen, Yexiang Xue, Shuo Chen +2
Structure and Problem Hardness: Goal Asymmetry and DPLL Proofs in<br> SAT-Based Planning
Joerg Hoffmann, Carla Gomes, Bart Selman
Contrastively Disentangled Sequential Variational Autoencoder
Junwen Bai, Weiran Wang, Carla Gomes
Pattern Decomposition with Complex Combinatorial Constraints: Application to Materials Discovery
Stefano Ermon, Ronan Le Bras, Santosh K. Suram +4
GEM-RAG: Graphical Eigen Memories For Retrieval Augmented Generation
Brendan Hogan Rappazzo, Yingheng Wang, Aaron Ferber +1
Machine Learning Methods for Studying Latent Neural Activity Dynamics
Shufeng Kong, Fumei Deng, Xinyi Dong +7
Exponentially-Modified Gaussian Mixture Model: Applications in Spectroscopy
Sebastian Ament, John Gregoire, Carla Gomes
AiSciVision: A Framework for Specializing Large Multimodal Models in Scientific Image Classification
Brendan Hogan, Anmol Kabra, Felipe Siqueira Pacheco +10
Evaluating Multi-label Classifiers with Noisy Labels
Wenting Zhao, Carla Gomes
HOT-VAE: Learning High-Order Label Correlation for Multi-Label Classification via Attention-Based Variational Autoencoders
Wenting Zhao, Shufeng Kong, Junwen Bai +2
Efficient Projection Algorithms onto the Weighted l1 Ball
Guillaume Perez, Sebastian Ament, Carla Gomes +1
Understanding Decoupled and Early Weight Decay
Johan Bjorck, Kilian Weinberger, Carla Gomes
End-to-End Refinement Guided by Pre-trained Prototypical Classifier
Junwen Bai, Zihang Lai, Runzhe Yang +3
Scalable Relaxations of Sparse Packing Constraints: Optimal Biocontrol in Predator-Prey Network
Johan Bjorck, Yiwei Bai, Xiaojian Wu +3
Constrained Machine Learning: The Bagel Framework
Guillaume Perez, Sebastian Ament, Carla Gomes +1