NeurIPS 2024 Past Large language modelsAI for science

Neurips 2024 Workshop Foundation Models for Science: Progress, Opportunities, and Challenges

Neurips 2024 Workshop FM4Science

Submission deadline
Sep 14, 2024, 11:59 UTC
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Submission portal
OpenReview
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Auto-imported from the OpenReview venue record on 2026-06-10 — please verify and enrich (topics are keyword-guessed).

Accepted papers (68)

Fetched from OpenReview (v2) on 2026-06-10.

  1. A Biosafety-aware Framework for Generative Enzyme Design with Foundation Models

    Xiaoyi Fu, Tao Han, Yuan Yao, Song Guo · PDF
  2. A COMPARATIVE STUDY OF NEURAL ODE AND UNIVERSAL ODE MODELS IN SOLVING CHANDRASEKHAR’S WHITE DWARF EQUATION.

    Raymundo Vazquez Martinez, Raj Abhijit Dandekar, Rajat Dandekar, Sreedath Panat · PDF
  3. A Foundation Model for Metagenomic Sequences

    Ollie Liu, Sami Jaghouar, Johannes Hagemann, Jeff Kaufman, Willie Neiswanger · PDF
  4. A Large Encoder-Decoder Polymer-Based Foundation Model

    Eduardo Soares, Nathaniel Park, Emilio Vital Brazil, Victor Yukio Shirasuna · PDF
  5. A Mamba-Based Foundation Model for Chemistry

    Emilio Vital Brazil, Eduardo Soares, Victor Yukio Shirasuna, Renato Cerqueira, Dmitry Zubarev, Kristin Schmidt · PDF
  6. Adapting Segment Anything Model (SAM) to Experimental Datasets via Fine-Tuning on GAN-based Simulation: A Case Study in Additive Manufacturing

    Anika Tabassum, Amir Koushyar Ziabari · PDF
  7. Agnostic Causality-Driven Enhancement of Chemical Foundation Models on Downstream Tasks

    Victor Yukio Shirasuna, Eduardo Soares, Emilio Vital Brazil, Karen Fiorella Aquino Gutierrez, Renato Cerqueira, Dmitry Zubarev, Kristin Schmidt · PDF
  8. Assessing interaction recovery of predicted protein-ligand poses

    David Errington, Constantin Schneider, Cédric Bouysset, Frederic A Dreyer · PDF
  9. AtmosArena: Benchmarking Foundation Models for Atmospheric Sciences

    Tung Nguyen, Prateik Sinha, Advit Deepak, Karen A. McKinnon, Aditya Grover · PDF
  10. BarcodeMamba: State Space Models for Biodiversity Analysis

    Tiancheng Gao, Graham W. Taylor · PDF
  11. Bio-xLSTM: Generative modeling, representation and in-context learning of biological and chemical sequences

    Niklas Schmidinger, Lisa Schneckenreiter, Philipp Seidl, Johannes Schimunek, Pieter-Jan Hoedt, Johannes Brandstetter, Andreas Mayr, Sohvi Luukkonen, Sepp Hochreiter, Günter Klambauer · PDF
  12. BiRNA-BERT: Adaptive Tokenization for Efficient RNA Language Modeling

    Md Toki Tahmid, Haz Sameen Shahgir, Sazan Mahbub, Yue Dong, Md Shamsuzzoha Bayzid · PDF
  13. Bridging biomolecular modalities for knowledge transfer in bio-language models

    Mangal Prakash, Artem Moskalev, Peter DiMaggio Jr., Steven Combs, Tommaso Mansi, Justin Scheer, Rui Liao · PDF
  14. Can we pre-train ICL-based SFMs for the zero-shot inference of the 1D CDR problem with noisy data?

    Mingu Kang, Dongseok Lee, Woojin Cho, Kookjin Lee, Anthony Gruber, Nathaniel Trask, Youngjoon Hong, Noseong Park · PDF
  15. Cell ontology guided transcriptome foundation model

    Xinyu Yuan, Zhihao Zhan, Zuobai Zhang, Manqi Zhou, Jianan Zhao, Boyu Han, Yue Li, Jian Tang · PDF
  16. ChatCite: LLM Agent with Human Workflow Guidance for Comparative Literature Summary

    Yutong Li, Lu Chen, Aiwei Liu, Kai Yu, Lijie Wen · PDF
  17. ChemDFM: A Large Language Foundation Model for Chemistry

    Zihan Zhao, Da Ma, Lu Chen, Liangtai Sun, Zihao Li, Yi Xia, Hongshen Xu, Zichen Zhu, Su Zhu, Shuai Fan, Guodong Shen, Kai Yu, Xin Chen · PDF
  18. CLOUD: A Scalable Scientific Foundation Model for Crystal Representation Learning

    Changwen Xu, Shang Zhu, Venkatasubramanian Viswanathan · PDF
  19. Contextualizing biological perturbation experiments through language

    Menghua Wu, Russell Littman, Jacob Levine, Lin Qiu, Tommaso Biancalani, David Richmond, Jan-Christian Huetter · PDF
  20. DeepOSets: Non-Autoregressive In-Context Learning of Supervised Learning Operators

    Shao-Ting Chiu, Junyuan Hong, Ulisses Braga-Neto · PDF
  21. Developing a Foundation Model for Predicting Material Failure

    Agnese Marcato, Javier E. Santos, Aleksandra Pachalieva, Kai Gao, Ryley Hill, Esteban Rougier, Qinjun Kang, Jeffrey Hyman, Abigail Hunter, Janel Chua, Earl Lawrence, Hari Viswanathan, Daniel O'Malley · PDF
  22. DiffBatt: A Diffusion Model for Battery Degradation Prediction and Synthesis

    Hamidreza Eivazi, André Hebenbrock, Raphael Ginster, Steffen Blömeke, Stefan Wittek, Christoph Hermann, Thomas S. Spengler, Thomas Turek, Andreas Rausch · PDF
  23. Enhancing Detail Recovery in ICF Radiographs: A Transformer-based Approach with ViXReg

    Nga Nguyen-Fotiadis, Bradley Wolfe, Zhehui Wang · PDF
  24. Extralonger: Toward a Unified Perspective of Spatial-Temporal Factors for Extra-Long-Term Traffic Forecasting

    Zhiwei Zhang, Shaojun E, Fandong Meng, Jie Zhou, Wenjuan Han · PDF
  25. Generating and Validating Agent and Environment Code for Simulating Realistic Personality Profiles with Large Language Models

    Nathan Cloos, M Ganesh Kumar, Adam Manoogian, Christopher J Cueva, Shawn A. Rhoads · PDF
  26. Generative Models in Protein Engineering: A Comprehensive Survey

    Chen Xinhui, Yiwen Yuan, Joseph Liu, Chak Tou Leong, Xiaoye Zhu, Jiaqi Chen · PDF
  27. GFlowNet Pretraining with Inexpensive Rewards

    Mohit Pandey, Gopeshh Subbaraj, Emmanuel Bengio · PDF
  28. IgBlend: Unifying 3D Structure and Sequence for Antibody LLMs

    Cedric Malherbe, Talip Ucar · PDF
  29. Improving generalisability of 3D binding affinity models in low data regimes

    Julia Buhmann, Ward Haddadin, Alan Bilsland, Lukáš Pravda, Hagen Triendl · PDF
  30. Is Tokenization Needed for Masked Particle Modelling?

    Matthew Leigh, Samuel Klein, Francois Charton, Tobias Golling, Lukas Heinrich, Michael Kagan, Margarita Osadchy · PDF
  31. Language Models for Text-guided Protein Evolution

    Zhanghan Ni, Shengchao Liu, Anima Anandkumar · PDF
  32. Learning temperature-aware representations from millions of annotated protein sequences

    Mingchen Li, Liang Zhang, Zilan Wang, Bozitao Zhong, Pan Tan, Jiabei Cheng, Bingxin Zhou, Liang Hong, Huiqun Yu · PDF
  33. Leveraging foundation models for data-limited ecological applications

    Kyle Doherty, Max A Gurinas, Erik Samsoe, Charles Casper, Beau G Larkin, Philip W. Ramsey, Brandon Trabucco, Russ Salakhutdinov · PDF
  34. LLM Agent for Fire Dynamics Simulations

    Leidong Xu, Danyal Mohaddes, Yi Wang · PDF
  35. MAMORX: Multi-agent Multi-Modal Scientific Review Generation with External Knowledge

    Pawin Taechoyotin, Guanchao Wang, Tong Zeng, Bradley Sides, Daniel Acuna · PDF
  36. Maven: A Multimodal Foundation Model for Supernova Science

    Gemma Zhang, Thomas Helfer, Alexander Thomas Gagliano, Siddharth Mishra-Sharma, V Ashley Villar · PDF
  37. Metalic: Meta-Learning In-Context with Protein Language Models

    Jacob Beck, Shikha Surana, Manus McAuliffe, Oliver Bent, Thomas D Barrett, Juan Jose Garau-Luis, Paul Duckworth · PDF
  38. Molphenix: A Multimodal Foundation Model for PhenoMolecular Retrieval

    Philip Fradkin, Puria Azadi Moghadam, Karush Suri, Frederik Wenkel, Maciej Sypetkowski, Dominique Beaini · PDF
  39. Multi-View Mixture-of-Experts for Predicting Molecular Properties Using SMILES, SELFIES, and Graph-Based Representations

    Eduardo Soares, Indra Priyadarsini, Emilio Vital Brazil, Victor Yukio Shirasuna, Seiji Takeda · PDF
  40. OPI: An Open Instruction Dataset for Adapting Large Language Models to Protein-Related Tasks

    Hongwang Xiao, Wenjun Lin, Hui Wang, Zheng Liu, Qiwei Ye · PDF
  41. PROSE-FD: A Multimodal PDE Foundation Model for Learning Multiple Operators for Forecasting Fluid Dynamics

    Yuxuan Liu, Jingmin Sun, Xinjie He, Griffin Pinney, Zecheng Zhang, Hayden Schaeffer · PDF
  42. ProtDiff: Function-Conditioned Masked Diffusion Models for Robust Directed Protein Generation

    Vishrut Thoutam · PDF
  43. Provable in-context learning of linear systems and linear elliptic PDEs with transformers

    Frank Cole, Yulong Lu, Tianhao Zhang, Riley C. W. O'Neill · PDF
  44. Pulsar Candidate Classification with Multimodal Large Language Models

    Fuyong Zhao, Yuyang Li, Yanhao Wang, Hui Li, Mei Chen, Panfeng Chen, Ningchen Sun, Cunshi Wang, Jifeng Liu · PDF
  45. Scalable Universal T-Cell Receptor Embeddings from Adaptive Immune Repertoires

    Paidamoyo Chapfuwa, Ilker Demirel, Lorenzo Pisani, Javier Zazo, Elon Portugaly, Jabran Zahid, Julia Greissl · PDF
  46. Scale-consistent learning with neural operators

    Zongyi Li, Samuel Lanthaler, Catherine Deng, Yixuan Wang, Kamyar Azizzadenesheli, Anima Anandkumar · PDF
  47. SciDFM: A Large Language Model with Mixture-of-Experts for Science

    Liangtai Sun, Danyu Luo, Da Ma, Zihan Zhao, Baocai Chen, Zhennan Shen, Su Zhu, Lu Chen, Xin Chen, Kai Yu · PDF
  48. Scientific Knowledge Graph and Ontology Generation using Open Large Language Models

    Alexandru Oarga, Matthew Hart, Andres M Bran, Magdalena Lederbauer, Philippe Schwaller · PDF
  49. SciLitLLM: How to Adapt LLMs for Scientific Literature Understanding

    Sihang Li, Jin Huang, Jiaxi Zhuang, Yaorui Shi, Xiaochen Cai, Mingjun Xu, Xiang Wang, Linfeng Zhang, Guolin Ke, Hengxing Cai · PDF
  50. SciRIFF: A Resource to Enhance Language Model Instruction-Following over Scientific Literature

    David Wadden, Kejian Shi, Jacob Morrison, Aakanksha Naik, Shruti Singh, Nitzan Barzilay, Kyle Lo, Tom Hope, Luca Soldaini, Zejiang Shen, Doug Downey, Hannaneh Hajishirzi, Arman Cohan · PDF
  51. SeisLM: a Foundation Model for Seismic Waveforms

    Tianlin Liu, Jannes Münchmeyer, Laura Laurenti, Chris Marone, Maarten V. de Hoop, Ivan Dokmanić · PDF
  52. Self-supervised Multimodal Model for Astronomy

    Mariia Rizhko, Joshua S. Bloom · PDF
  53. Small Molecule Optimization with Large Language Models

    Menua Bedrosian, Philipp Guevorguian, Tigran Fahradyan, Gayane Chilingaryan, Hrant Khachatrian, Armen Aghajanyan · PDF
  54. Solaris: A Foundation Model of the Sun

    Harris Abdul Majid, Pietro Sittoni, Francesco Tudisco · PDF
  55. Solving Out-of-Distribution Challenges in Optical Foundation Models using Self-Improving Data Augmentation

    Mingqian Ma, Taigao Ma, L. Jay Guo · PDF
  56. Specialized Foundation Models Struggle to Beat Supervised Baselines

    Zongzhe Xu, Ritvik Gupta, Wenduo Cheng, Alexander Shen, Junhong Shen, Ameet Talwalkar, Mikhail Khodak · PDF
  57. SpectraFM: Tuning into Stellar Foundation Models

    Nolan Koblischke, Jo Bovy · PDF
  58. Stylish and Functional: Guided Interpolation Subject to Physical Constraints

    Yan-Ying Chen, Nikos Arechiga, Chenyang Yuan, Matthew K Hong, Matthew Klenk, Charlene C. Wu · PDF
  59. Survey: Adaptive Physics-informed Neural Networks

    Edgar Torres, Mathias Niepert · PDF
  60. SysCaps: Language Interfaces for Simulation Surrogates of Complex Systems

    Patrick Emami, Zhaonan Li, Saumya Sinha, Truc Nguyen · PDF
  61. Towards Interpretable Scientific Foundation Models: Sparse Autoencoders for Disentangling Dense Embeddings of Scientific Concepts

    Charles O'Neill, Christine Ye, Kartheik G. Iyer, John F Wu · PDF
  62. Uncertainty and Generalizability in Foundation Models for Earth Observation

    Raúl Ramos-Pollán, Freddie Kalaitzis, Karthick Panner Selvam · PDF
  63. Understanding Drought through Spatial-Temporal Learning

    Xuwei Tan, Qian Zhao, Yanlan Liu, Xueru Zhang · PDF
  64. Understanding Protein-DNA Interactions by Paying Attention to Protein and Genomics Foundation Models

    Dhruva Rajwade, Erica Wang, Aryan Satpathy, Alexander Brace, Hongyu Guo, Arvind Ramanathan, Shengchao Liu, Anima Anandkumar · PDF
  65. Vision foundation models: can they be applied to astrophysics data?

    Erica Lastufka, Mariia Drozdova, Vitaliy Kinakh, Slava Voloshynovskiy · PDF
  66. ViTally Consistent: Scaling Biological Representation Learning for Cell Microscopy

    Kian Kenyon-Dean, Zitong Jerry Wang, John Urbanik, Konstantin Donhauser, Jason Hartford, Saber Saberian, Nil Sahin, Ihab Bendidi, Safiye Celik, Marta Fay, Juan Sebastián Rodríguez Vera, Imran S Haque, Oren Kraus · PDF
  67. VSMNO: Solving PDE by Utilizing Spectral Patterns of Different Neural Operators

    Fengrui Jing, Hongzhen Ding, Taosong · PDF
  68. Weighted Diversified Sampling for Efficient Data-Driven Single-Cell Gene-Gene Interaction Discovery

    Yifan Wu, Yuntao Yang, Zirui Liu, Zhao Li, Khushbu Pahwa, Rongbin Li, Wenjin Zheng, Xia Hu, Zhaozhuo Xu · PDF