ICML 2024 Workshop AI4Science Submissions

Decoding Chemical Predictions: Group Contribution Methods for XAI
Gabriel Cathoud, Vignesh Ram Somnath, Luis Macedo, Kjell Jorner
- Published: 17 Jun 2024, Last Modified: 25 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Spectrum-Informed Multistage Neural Network: Multiscale Function Approximator of Machine Precision
Jakin Ng, Yongji Wang, Ching-Yao Lai
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
A Neural Material Point Method for Particle-based Simulations
Omer Rochman Sharabi, Sacha Lewin, Gilles Louppe
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Population Transformer: Learning Population-level Representations of Intracranial Activity
Geeling Chau, Christopher Wang, Sabera J Talukder, Vighnesh Subramaniam, Saraswati Soedarmadji, Yisong Yue, Boris Katz, Andrei Barbu
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Many-Shot In-Context Learning for Molecular Inverse Design
Saeed Moayedpour, Alejandro Corrochano-Navarro, Faryad Sahneh, Alexander Koetter, Jiří Vymětal, Lorenzo Kogler Anele, Pablo Mas, Yasser Jangjoo, Sizhen Li, Michael Bailey, Marc Bianciotto, Hans Matter, Christoph Grebner, Gerhard Hessler, Ziv Bar-Joseph, Sven Jager
- Published: 17 Jun 2024, Last Modified: 24 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Variational and Explanatory Neural Networks for Encoding Cancer Profiles and Predicting Drug Responses
Tianshu Feng, Rohan Gnanaolivu, Abolfazl Safikhani, Yuanhang Liu, Jun Jiang, Nicholas Chia, Alexander Partin, Priyanka Vasanthakumari, Yitan Zhu, Chen Wang
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
A Classifier-Based Approach to Multi-Class Anomaly Detection Applied to Astronomical Time-Series
Daniel Muthukrishna, Rithwik Gupta
- Published: 17 Jun 2024, Last Modified: 26 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
CodonMPNN for Organism Specific and Codon Optimal Inverse Folding
Hannes Stark, Umesh Padia, Julia Balla, Cameron Diao
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Generation and human-expert evaluation of interesting research ideas using knowledge graphs and large language models
Xuemei Gu, Mario Krenn
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Navigating Chemical Space with Latent Flows
Guanghao Wei, Yining Huang, Chenru Duan, Yue Song, Yuanqi Du
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Spotlight
- Readers: Everyone
SemioLLM: Assessing Large Language Models for Semiological Analysis in Epilepsy Research
Meghal Dani, Muthu Jeyanthi Prakash, Zeynep Akata, Stefanie Liebe
- Published: 17 Jun 2024, Last Modified: 22 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
FusionDTI: Fine-grained Binding Discovery with Token-level Fusion for Drug-Target Interaction
Zhaohan Meng, Zaiqiao Meng, Iadh Ounis
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Prototype-Based Methods in Explainable AI and Emerging Opportunities in the Geosciences
Anushka Narayanan, Karianne Bergen
- Published: 17 Jun 2024, Last Modified: 24 Jul 2024
- ICML2024-AI4Science Oral
- Readers: Everyone
Diagnosing and fixing common problems in Bayesian optimization for molecule design
Austin Tripp, José Miguel Hernández-Lobato
- Published: 17 Jun 2024, Last Modified: 25 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
TriageAgent: Towards Better Multi-Agents Collaborations for Large Language Model-Based Clinical Triage
Meng Lu, Ho Brandon, Ren Dennis, Xuan Wang
- Published: 17 Jun 2024, Last Modified: 26 Jul 2024
- ICML2024-AI4Science Spotlight
- Readers: Everyone
Overconfident Oracles: Limitations of In Silico Sequence Design Benchmarking
Shikha Surana, Nathan Grinsztajn, Timothy Atkinson, Paul Duckworth, Thomas D Barrett
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Spotlight
- Readers: Everyone
Geometric Self-Supervised Pretraining on 3D Protein Structures using Subgraphs
Michail Chatzianastasis, George Dasoulas, Michalis Vazirgiannis
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Self-supervised learning for crystal property prediction via denoising
Alexander New, Nam Q Le, Michael Pekala, Christopher D Stiles
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Modeling Droplets Dynamics in Emulsions with Graph Neural Networks
Giulio Ortali, Federico Toschi, Jan-Willem van de Meent
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
AdsorbDiff: Adsorbate Placement via Conditional Denoising Diffusion
Adeesh Kolluru, John R. Kitchin
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Spotlight
- Readers: Everyone
Equation identification for fluid flows via physics-informed neural networks
Alexander New, Marisel Villafañe-Delgado, Charles Shugert
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Smoke and Mirrors in Causal Downstream Tasks
Riccardo Cadei, Lukas Lindorfer, Sylvia Cremer, Cordelia Schmid, Francesco Locatello
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Benchmarking Autoregressive Conditional Diffusion Models for Turbulent Flow Simulation
Georg Kohl, Liwei Chen, Nils Thuerey
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Poster
- Readers: Everyone
Towards detailed and interpretable hybrid modeling of continental-scale bird migration
Fiona Lippert, Bart Kranstauber, Patrick Forré, Emiel van Loon
- Published: 17 Jun 2024, Last Modified: 17 Jul 2024
- ICML2024-AI4Science Spotlight
- Readers: Everyone
RNA-FrameFlow for de novo 3D RNA Backbone Design
Rishabh Anand, Chaitanya K. Joshi, Alex Morehead, Arian Rokkum Jamasb, Charles Harris, Simon V Mathis, Kieran Didi, Bryan Hooi, Pietro Lio
- Published: 17 Jun 2024, Last Modified: 27 Aug 2024
- ICML2024-AI4Science Spotlight
- Readers: Everyone