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Carla Gomes

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A new perspective on building efficient and expressive 3D equivariant graph neural networks

Apr 07, 2023
Weitao Du, Yuanqi Du, Limei Wang, Dieqiao Feng, Guifeng Wang, Shuiwang Ji, Carla Gomes, Zhi-Ming Ma

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Xtal2DoS: Attention-based Crystal to Sequence Learning for Density of States Prediction

Feb 03, 2023
Junwen Bai, Yuanqi Du, Yingheng Wang, Shufeng Kong, John Gregoire, Carla Gomes

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Structure-based Drug Design with Equivariant Diffusion Models

Oct 24, 2022
Arne Schneuing, Yuanqi Du, Charles Harris, Arian Jamasb, Ilia Igashov, Weitao Du, Tom Blundell, Pietro Lió, Carla Gomes, Max Welling, Michael Bronstein, Bruno Correia

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Left Heavy Tails and the Effectiveness of the Policy and Value Networks in DNN-based best-first search for Sokoban Planning

Jun 28, 2022
Dieqiao Feng, Carla Gomes, Bart Selman

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Scalable First-Order Bayesian Optimization via Structured Automatic Differentiation

Jun 16, 2022
Sebastian Ament, Carla Gomes

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Constrained Machine Learning: The Bagel Framework

Dec 02, 2021
Guillaume Perez, Sebastian Ament, Carla Gomes, Arnaud Lallouet

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Contrastively Disentangled Sequential Variational Autoencoder

Oct 22, 2021
Junwen Bai, Weiran Wang, Carla Gomes

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Sparse Bayesian Learning via Stepwise Regression

Jun 11, 2021
Sebastian Ament, Carla Gomes

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HOT-VAE: Learning High-Order Label Correlation for Multi-Label Classification via Attention-Based Variational Autoencoders

Mar 09, 2021
Wenting Zhao, Shufeng Kong, Junwen Bai, Daniel Fink, Carla Gomes

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Evaluating Multi-label Classifiers with Noisy Labels

Feb 16, 2021
Wenting Zhao, Carla Gomes

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