NeurIPS 2023 Workshop AI4Science Submissions

Deep Bayesian Experimental Design for Quantum Many-Body Systems
Leopoldo Sarra, Florian Marquardt
- Published: 28 Oct 2023, Last Modified: 08 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Higher Order Equivariant Graph Neural Networks for Charge Density Prediction
Teddy Koker, Keegan Quigley, Lin Li
- Published: 28 Oct 2023, Last Modified: 07 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Scalable Multimer Structure Prediction using Diffusion Models
Peter Pao-Huang, Bowen Jing, Bonnie Berger
- Published: 28 Oct 2023, Last Modified: 04 Nov 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Evaluating the structure of cognitive tasks with transfer learning
Bruno Aristimunha, Raphael Yokoingawa de Camargo, Walter Hugo Lopez Pinaya, Sylvain Chevallier, Alexandre Gramfort, Cédric Rommel
- Published: 28 Oct 2023, Last Modified: 10 Nov 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
ComboPath: A model for predicting drug combination effects
Duminda S Ranasinghe, Nathan Sanders, Hok Hei Tam, Changchang Liu, Dan Spitz
- Published: 28 Oct 2023, Last Modified: 09 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Exciton-Polariton Condensates: A Fourier Neural Operator Approach
Surya Teja Sathujoda, Yuan Wang, Kanishk Gandhi
- Published: 28 Oct 2023, Last Modified: 08 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Self-supervised Learning to Discover Physical Objects and Predict Their Interactions from Raw Videos
Sheng Cheng, Yezhou Yang, Yang Jiao, Yi Ren
- Published: 28 Oct 2023, Last Modified: 28 Oct 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Modelling Microbial Communities with Graph Neural Networks
Albane Ruaud, Cansu Sancaktar, Marco Bagatella, Christoph Ratzke, Georg Martius
- Published: 28 Oct 2023, Last Modified: 17 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
XBrainLab: An Open-Source Software for Explainable Artificial Intelligence-Based EEG Analysis
Chia-Ying Hsieh, Jing-Lun Chou, Yu-Hsin Chang, Chun-Shu Wei
- Published: 28 Oct 2023, Last Modified: 21 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
scBiGNN: Bilevel Graph Representation Learning for Cell Type Classification from Single-cell RNA Sequencing Data
Rui Yang, Wenrui Dai, Chenglin Li, Junni Zou, Dapeng Wu, Hongkai Xiong
- Published: 28 Oct 2023, Last Modified: 07 Nov 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Representation Learning for Spatial Multimodal Data Integration with Optimal Transport
Xinhao Liu, Benjamin Raphael
- Published: 28 Oct 2023, Last Modified: 10 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Van der Pol-informed Neural Networks for Multi-step-ahead Forecasting of Extreme Climatic Events
Anurag Dutta, Madhurima Panja, Uttam Kumar, Chittaranjan Hens, Tanujit Chakraborty
- Published: 28 Oct 2023, Last Modified: 02 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
SE(3)-Invariant Multiparameter Persistent Homology for Chiral-Sensitive Molecular Property Prediction
Andac Demir, Francis Joseph Prael III, Bulent Kiziltan
- Published: 28 Oct 2023, Last Modified: 15 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
arXiVeri: Automatic table verification with GPT
Gyungin Shin, Weidi Xie, Samuel Albanie
- Published: 28 Oct 2023, Last Modified: 08 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
PreDiff: Precipitation Nowcasting with Latent Diffusion Models
Zhihan Gao, Xingjian Shi, Boran Han, Hao Wang, Xiaoyong Jin, Danielle C. Maddix, Yi Zhu, Mu Li, Bernie Wang
- Published: 28 Oct 2023, Last Modified: 02 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Sample-efficient Antibody Design through Protein Language Model for Risk-aware Batch Bayesian Optimization
Yanzheng Wang, Boyue wang, TIANYU SHI, Jie Fu, Yi Zhou, zhizhuo zhang
- Published: 28 Oct 2023, Last Modified: 09 Nov 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
RetroBridge: Modeling Retrosynthesis with Markov Bridges
Ilia Igashov, Arne Schneuing, Marwin Segler, Michael M. Bronstein, Bruno Correia
- Published: 28 Oct 2023, Last Modified: 23 Nov 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Beam Enumeration: Probabilistic Explainability For Sample Efficient Self-conditioned Molecular Design
Jeff Guo, Philippe Schwaller
- Published: 28 Oct 2023, Last Modified: 28 Oct 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Extracting Nonlinear Symmetries From Trained Neural Networks on Dynamics Data
Yoh-ichi Mototake
- Published: 28 Oct 2023, Last Modified: 10 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Rapid Prediction of Two-Dimensional Airflow in an Operating Room using Scientific Machine Learning
Gary Lynn Collins, Alexander New, Ryan A. Darragh, Brian E. Damit, Christopher D. Stiles
- Published: 28 Oct 2023, Last Modified: 10 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Molecule-edit templates for efficient and accurate retrosynthesis prediction
Mikołaj Sacha, Michał Sadowski, Piotr Kozakowski, Ruard van Workum, Stanislaw Kamil Jastrzebski
- Published: 28 Oct 2023, Last Modified: 05 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Towards stable real-world equation discovery with assessing differentiating quality influence
Mikhail Masliaev, Ilya Markov, Alexander Hvatov
- Published: 28 Oct 2023, Last Modified: 19 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Prot2Text: Multimodal Protein's Function Generation with GNNs and Transformers
Hadi Abdine, Michail Chatzianastasis, Costas Bouyioukos, Michalis Vazirgiannis
- Published: 28 Oct 2023, Last Modified: 09 Nov 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
A Transformer Model for Symbolic Regression towards Scientific Discovery
Florian Lalande, Yoshitomo Matsubara, Naoya Chiba, Tatsunori Taniai, Ryo Igarashi, Yoshitaka Ushiku
- Published: 28 Oct 2023, Last Modified: 17 Nov 2023
- NeurIPS2023-AI4Science Oral
- Readers: Everyone
Testing Assumptions Underlying a Unified Theory for the Origin of Grid Cells
Rylan Schaeffer, Mikail Khona, Adrian Bertagnoli, Sanmi Koyejo, Ila R Fiete
- Published: 28 Oct 2023, Last Modified: 21 Nov 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone