Search Results for author: Romain Lacombe

Found 5 papers, 3 papers with code

Accelerating the Generation of Molecular Conformations with Progressive Distillation of Equivariant Latent Diffusion Models

1 code implementation21 Apr 2024 Romain Lacombe, Neal Vaidya

We introduce Equivariant Latent Progressive Distillation, a fast sampling algorithm that preserves geometric equivariance and accelerates generation from latent diffusion models.

Drug Discovery

AdsorbRL: Deep Multi-Objective Reinforcement Learning for Inverse Catalysts Design

1 code implementation4 Dec 2023 Romain Lacombe, Lucas Hendren, Khalid El-Awady

Here we introduce AdsorbRL, a Deep Reinforcement Learning agent aiming to identify potential catalysts given a multi-objective binding energy target, trained using offline learning on the Open Catalyst 2020 and Materials Project data sets.

Multi-Objective Reinforcement Learning reinforcement-learning

ClimateX: Do LLMs Accurately Assess Human Expert Confidence in Climate Statements?

1 code implementation28 Nov 2023 Romain Lacombe, Kerrie Wu, Eddie Dilworth

Evaluating the accuracy of outputs generated by Large Language Models (LLMs) is especially important in the climate science and policy domain.

Few-Shot Learning Information Retrieval +1

Extracting Molecular Properties from Natural Language with Multimodal Contrastive Learning

no code implementations22 Jul 2023 Romain Lacombe, Andrew Gaut, Jeff He, David Lüdeke, Kateryna Pistunova

Deep learning in computational biochemistry has traditionally focused on molecular graphs neural representations; however, recent advances in language models highlight how much scientific knowledge is encoded in text.

Contrastive Learning Property Prediction +3

Improving extreme weather events detection with light-weight neural networks

no code implementations31 Mar 2023 Romain Lacombe, Hannah Grossman, Lucas Hendren, David Lüdeke

To advance automated detection of extreme weather events, which are increasing in frequency and intensity with climate change, we explore modifications to a novel light-weight Context Guided convolutional neural network architecture trained for semantic segmentation of tropical cyclones and atmospheric rivers in climate data.

Data Augmentation Feature Engineering +1

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