NeurIPS 2023 Workshop AI4Science Submissions

Sensitivity Analysis of Simulation-Based Inference for Galaxy Clustering
Shivam Pandey, Chirag Modi, Benjamin Dan Wandelt, Matthew Ho, ChangHoon Hahn, Bruno Régaldo-Saint Blancard
- Published: 28 Oct 2023, Last Modified: 07 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
What a Scientific Language Model Knows and Doesn't Know about Chemistry
Lawrence Zhao, Carl Edwards, Heng Ji
- Published: 28 Oct 2023, Last Modified: 10 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
BENO: Boundary-embedded Neural Operators for Elliptic PDEs
Haixin Wang, Jiaxin LI, Anubhav Dwivedi, Kentaro Hara, Tailin Wu
- Published: 28 Oct 2023, Last Modified: 28 Nov 2023
- NeurIPS2023-AI4Science Oral
- Readers: Everyone
xVal: A Continuous Number Encoding for Large Language Models
Siavash Golkar, Mariel Pettee, Michael Eickenberg, Alberto Bietti, Miles Cranmer, Geraud Krawezik, Francois Lanusse, Michael McCabe, Ruben Ohana, Liam Holden Parker, Bruno Régaldo-Saint Blancard, Tiberiu Tesileanu, Kyunghyun Cho, Shirley Ho
- Published: 28 Oct 2023, Last Modified: 10 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
LenSiam: Self-Supervised Learning on Strong Gravitational Lens Images
Po-Wen Chang, Kuan-Wei Huang, Joshua Fagin, James Hung-Hsu Chan, Joshua Yao-Yu Lin
- Published: 28 Oct 2023, Last Modified: 02 Nov 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Bi-level Graphs for Cellular Pattern Discovery
Zhenzhen Wang, Aleksander S. Popel, Jeremias Sulam
- Published: 28 Oct 2023, Last Modified: 16 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Automated distillation of genomic equations governing single cell gene expression
Edouardo Honig, Frederique Ruf-Zamojski, Stuart Sealfon, Ying Nian Wu, Zijun Frank Zhang
- Published: 28 Oct 2023, Last Modified: 02 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
MOFDiff: Coarse-grained Diffusion for Metal-Organic Framework Design
Xiang Fu, Tian Xie, Andrew Scott Rosen, Tommi Jaakkola, Jake Allen Smith
- Published: 28 Oct 2023, Last Modified: 23 Nov 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Stochastic force inference via density estimation
Victor Chardès, Suryanarayana Maddu, Michael J. Shelley
- Published: 28 Oct 2023, Last Modified: 13 Nov 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies
Shuaiwen Leon Song, Bonnie Kruft, Minjia Zhang, Conglong Li, Shiyang Chen, Chengming Zhang, Masahiro Tanaka, Xiaoxia Wu, Mohammed AlQuraishi, Gustaf Ahdritz, Christina Floristean, Rick L. Stevens, Venkatram Vishwanath, Arvind Ramanathan, Sam Foreman, Kyle Hippe, Prasanna Balaprakash, Yuxiong He
- Published: 28 Oct 2023, Last Modified: 09 Nov 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Machine Learning for Practical Quantum Error Mitigation
Haoran Liao, Derek S. Wang, Iskandar Sitdikov, Ciro Salcedo, Alireza Seif, Zlatko K. Minev
- Published: 28 Oct 2023, Last Modified: 28 Oct 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Citation-Similarity Relationships in Astrophysics Literature
Nathaniel Imel, Zachary Hafen
- Published: 28 Oct 2023, Last Modified: 15 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Bayesian Machine Scientist for Model Discovery in Psychology
Joshua Tomas Sealth Hewson, Younes Strittmatter, Ioana Marinescu, Chad C Williams, Sebastian Musslick
- Published: 28 Oct 2023, Last Modified: 23 Nov 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Relaxed Octahedral Group Convolution for Learning Symmetry Breaking in 3D Physical Systems
Rui Wang, Robin Walters, Tess Smidt
- Published: 28 Oct 2023, Last Modified: 09 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Learning to Relax: Setting Solver Parameters Across a Sequence of Linear System Instances
Mikhail Khodak, Edmond Chow, Maria Florina Balcan, Ameet Talwalkar
- Published: 28 Oct 2023, Last Modified: 08 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
AI, Robot Neuroscientist: Reimagining Hypothesis Generation
Jiaqi Shang, Will Xiao
- Published: 28 Oct 2023, Last Modified: 08 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Contrasting Sequence with Structure: Pre-training Graph Representations with PLMs
Louis Robinson, Timothy Atkinson, Liviu Copoiu, Patrick Bordes, Thomas PIERROT, Thomas D Barrett
- Published: 28 Oct 2023, Last Modified: 04 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Unveiling the Secrets of $^1$H-NMR Spectroscopy: A Novel Approach Utilizing Attention Mechanisms
Oliver Schilter, Marvin Alberts, Federico Zipoli, Alain C. Vaucher, Philippe Schwaller, Teodoro Laino
- Published: 28 Oct 2023, Last Modified: 30 Nov 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
SpatialSSL: Whole-Brain Spatial Transcriptomics in the Mouse Brain with Self-Supervised Learning
Till Richter, Anna Schaar, Francesca Drummer, Cheng-Wei Liao, Leopold Endres, Fabian J Theis
- Published: 28 Oct 2023, Last Modified: 09 Nov 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
AlphaFold Meets Flow Matching for Generating Protein Ensembles
Bowen Jing, Bonnie Berger, Tommi Jaakkola
- Published: 28 Oct 2023, Last Modified: 29 Nov 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
ALAS: Active Learning for Autoconversion Rates Prediction from Satellite Data
Maria Carolina Novitasari, Johannes Quaas, Miguel R. D. Rodrigues
- Published: 28 Oct 2023, Last Modified: 10 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Evaluating Uncertainty Quantification approaches for Neural PDEs in scientific applications
Vardhan Dongre, Gurpreet Singh Hora
- Published: 28 Oct 2023, Last Modified: 07 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Scalable Diffusion for Materials Generation
Sherry Yang, KwangHwan Cho, Amil Merchant, Pieter Abbeel, Dale Schuurmans, Igor Mordatch, Ekin Dogus Cubuk
- Published: 28 Oct 2023, Last Modified: 04 Nov 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Retro-fallback: retrosynthetic planning in an uncertain world
Austin Tripp, Krzysztof Maziarz, Sarah Lewis, Marwin Segler, José Miguel Hernández-Lobato
- Published: 28 Oct 2023, Last Modified: 06 Dec 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
MUBen: Benchmarking the Uncertainty of Molecular Representation Models
Yinghao Li, Lingkai Kong, Yuanqi Du, Yue Yu, Yuchen Zhuang, Wenhao Mu, Chao Zhang
- Published: 28 Oct 2023, Last Modified: 28 Nov 2023
- NeurIPS2023-AI4Science Poster
- Readers: Everyone