ICML 2024 Workshop AI4Science Submissions

Predicting dark matter halo masses from simulated galaxy images and environments
Austin J Larson, John F Wu, Craig Jones
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Efficient Evolutionary Search over Chemical Space with Large Language Models
Haorui Wang, Marta Skreta, Yuanqi Du, Wenhao Gao, Lingkai Kong, Cher Tian Ser, Felix Strieth-Kalthoff, Chenru Duan, Yuchen Zhuang, Yue Yu, Yanqiao Zhu, Alan Aspuru-Guzik, Kirill Neklyudov, Chao Zhang
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Generating Fine-Grained Causality in Climate Time Series Data for Forecasting and Anomaly Detection
Dongqi Fu, Yada Zhu, Hanghang Tong, Kommy Weldemariam, Onkar Bhardwaj, Jingrui He
- Published: 26 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Classification of freshwater snails of the genus Radomaniola with multimodal triplet networks
Dennis Vetter, Muhammad Ahsan, Diana Delicado, Thomas A. Neubauer, Thomas Wilke, Gemma Roig
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Spotlight
- Readers: Everyone
Masking in Molecular Graphs Leveraging Reaction Context
Jiannan Yang, Veronika Thost, Tengfei Ma
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
EggNet: An Evolving Graph-based Graph Attention Network for Particle Track Reconstruction
Paolo Calafiura, Jay Chan, Loic Delabrouille, Brandon Wang
- Published: 17 Jun 2024, Last Modified: 18 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
TarDis: Achieving Robust and Structured Disentanglement of Multiple Covariates
Kemal Inecik, Aleyna Kara, Antony Rose, Muzlifah Haniffa, Fabian J Theis
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Fast-forward FARGO: Accelerating Protoplanetary Disk Simulations with Limited Data
Valentina Tardugno Poleo, David W Hogg, Shirley Ho
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Inpainting crystal structure generations with score-based denoising
Xinzhe Dai, Peichen Zhong, Bowen Deng, Yifan Chen, Gerbrand Ceder
- Published: 17 Jun 2024, Last Modified: 23 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Iterative Sizing Field Prediction for Adaptive Mesh Generation From Expert Demonstrations
Niklas Freymuth, Philipp Dahlinger, Tobias Würth, Philipp Becker, Aleksandar Taranovic, Onno Grönheim, Luise Kärger, Gerhard Neumann
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling
Yuanqi Du, Michael Plainer, Rob Brekelmans, Chenru Duan, Frank Noe, Carla P Gomes, Alan Aspuru-Guzik, Kirill Neklyudov
- Published: 17 Jun 2024, Last Modified: 22 Jul 2024
- ICML2024-AI4Science Spotlight
- Readers: Everyone
Physics-Informed Weakly Supervised Learning for Interatomic Potentials
Makoto Takamoto, Viktor Zaverkin, Mathias Niepert
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Graph Multi-Similarity Learning for Molecular Property Prediction
Hao Xu, Zhengyang Zhou, Pengyu Hong
- Published: 17 Jun 2024, Last Modified: 25 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Enhancing Peak Assignment in CNMR Spectroscopy: A Novel Approach Using Multimodal Alignment
Hao Xu, Zhengyang Zhou, Pengyu Hong
- Published: 17 Jun 2024, Last Modified: 26 Jul 2024
- ICML2024-AI4Science Oral
- Readers: Everyone
Projection Killer: peering through high dimensional posterior distribution
Marco Raveri, Cyrille Doux, Shivam Pandey
- Published: 17 Jun 2024, Last Modified: 25 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Symbolic Regression with a Learned Concept Library
Arya Grayeli, Atharva Sehgal, Omar Costilla Reyes, Miles Cranmer, Swarat Chaudhuri
- Published: 17 Jun 2024, Last Modified: 25 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
On the Effectiveness of Quantum Chemistry Pre-training for Pharmacological Property Prediction
Arun Raja, Hongtao Zhao, Christian Tyrchan, Eva Nittinger, Michael M. Bronstein, Charlotte Deane, Garrett M Morris
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Reinforcement Learning for Efficient Design and Control Co-optimisation of Energy Systems
Marine Cauz, Adrien Bolland, Christophe Ballif, Nicolas Wyrsch
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
A Fast Learning-Based Surrogate of Electrical Machines using a Reduced Basis
Alejandro Ribes, Nawfal BENCHEKROUN, Théo Delagnes
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
DiffusionPDE: Generative PDE-Solving Under Partial Observation
Jiahe Huang, Guandao Yang, Zichen Wang, Jeong Joon Park
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Oral
- Readers: Everyone
Population-level Dark Energy Constraints from Strong Gravitational Lensing using Simulation-Based Inference
Sreevani Jarugula, Brian Nord, Abhijith Gandrakota, Aleksandra Ciprijanovic
- Published: 17 Jun 2024, Last Modified: 23 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
RamanSPy: Augmenting Raman Spectroscopy Data Analysis with AI
Dimitar Georgiev, Simon Vilms Pedersen, Ruoxiao Xie, Álvaro Fernández-Galiana, Molly M. Stevens, Mauricio Barahona
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
An Advanced Physics-Informed Neural Operator for Comprehensive Design Optimization of Highly-Nonlinear Systems: An Aerospace Composites Processing Case Study
Milad Ramezankhani, Anirudh Deodhar, Rishi Yash Parekh, Dagnachew Birru
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Exploration and Application of AI in Space Science
Xiang Zhao, You Song
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Scaling Automated Quantum Error Correction Discovery with Reinforcement Learning
Jan Olle, Remmy Zen, Matteo Puviani, Florian Marquardt
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Spotlight
- Readers: Everyone