ICML 2025 Past Generative models

ICML 2025 Generative AI and Biology (GenBio) Workshop

GenBio 2025

Submission deadline
May 26, 2025, 11:59 UTC
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Submission portal
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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 (145)

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

  1. A Diffusion Model to Shrink Proteins While Maintaining their Function

    Ethan Baron, Alan Nawzad Amin, Ruben Weitzman, Debora Susan Marks, Andrew Gordon Wilson · PDF
  2. A Diffusion-Based Autoencoder for Learning Patient-Level Representations from Single-Cell Data

    Rebecca Boiarsky, Johann Wenckstern, Nicholas J Haradhvala, Gad Getz, David Sontag · PDF
  3. A framework to extract and interpret biological concepts from scRNAseq generative foundation models

    Charlotte Claye, Pierre Marschall, Wassila Ouerdane, CELINE HUDELOT, Julien Duquesne · PDF
  4. A Genomic Language Model for Zero-Shot Prediction of Promoter Indel Effects

    Courtney A. Shearer, Felix Teufel, Rose Orenbuch, Christian J. Steinmetz, Daniel Ritter, Erik Xie, Artem Gazizov, Aviv Spinner, Jonathan Frazer, Mafalda Dias, Pascal Notin, Debora Susan Marks · PDF
  5. A Ground-Up Designed Controllable GPT for Molecule Optimization

    Xuefeng Liu, Songhao Jiang, Bo Li, Rick L. Stevens · PDF
  6. A Zero-shot LLM-based Framework for Descriptive Gene-gene Interaction Network Generation

    Bingjun Li, Mason Zito Ritchotte, Sihong He, Sheida Nabavi · PDF
  7. AbFlowNet: Optimizing Antibody-Antigen Binding Energy via Diffusion-GFlowNet Fusion

    Abrar Rahman Abir, Haz Sameen Shahgir, Md. Rownok Zahan Ratul, Md Toki Tahmid, Greg Ver Steeg, Yue Dong · PDF
  8. Active Leaning-Guided Seq2Seq Variational Autoencoder for Multi-target Inhibitor Generation

    Júlia Vilalta-Mor, Alexis Molina, Laura Ortega Varga, Isaac Filella-Merce, VICTOR GUALLAR · PDF
  9. Align Your Structures: Generating Trajectories with Structure Pretraining for Molecular Dynamics

    Aniketh Iyengar, Jiaqi Han, Pengwei Sun, Mingjian Jiang, Jianwen Xie, Stefano Ermon · PDF
  10. Amortized Sampling with Transferable Normalizing Flows

    Charlie B. Tan, Majdi Hassan, Leon Klein, Saifuddin Syed, Dominique Beaini, Michael M. Bronstein, Alexander Tong, Kirill Neklyudov · PDF
  11. An Improved Systematic Method for Constructing Enzyme-Constrained Genome-Scale Metabolic Models Using a Protein-Chemical Transformer

    Anna Schooneveld, Shafiat Dewan, Will Addison, David Berman, Navot Arad, Sam Genway, Sonya Kaur Kalsi, Kotryna Bloznelyte · PDF
  12. An Iterative Framework for Generative Backmapping of Coarse Grained Proteins

    Georgios Kementzidis, Erin Wong, John Nicholson, Ruichen Xu, Yuefan Deng · PDF
  13. Analytic Gaussian Convolution for Faster Molecular Optimization and Sampling

    Soumya Ram, Akhila Ram · PDF
  14. AntiDIF: Accurate and Diverse Antibody Specific Inverse Folding with Discrete Diffusion

    Nikhil Branson, Charlotte Deane · PDF
  15. AtoMAE: Learning Protein Structure Representations from Atomic Voxel Grids via Masked Autoencoders

    Namuk Park, Pedro O. Pinheiro, Nathan C. Frey, Sidney L Lisanza, Andrew Martin Watkins, Arian Rokkum Jamasb, Matthieu Kirchmeyer, Richard Bonneau, Saeed Saremi, Vladimir Gligorijevic · PDF
  16. ATOMICA: Learning Universal Representations of Molecular Interactions

    Ada Fang, ZAIXI ZHANG, Marinka Zitnik · PDF
  17. Automated Neuron Labelling Enables Generative Steering and Interpretability in Protein Language Models

    Arjun Banerjee, David Martinez, Camille Dang, Ethan Tam · PDF
  18. Balancing Speed and Precision in Protein Folding: A Comparison of AlphaFold2, ESMFold, and OmegaFold

    Petr Simecek · PDF
  19. BC-Design: A Biochemistry-Aware Framework for Highly Accurate Inverse Protein Folding

    Xiangru Tang, Xinwu Ye, Fang Wu, Yanjun Shao, Dong Xu, Mark Gerstein · PDF
  20. Benchmark of Diffusion and Flow Matching Models for Unconditional Protein Structure Design

    Wenran LI, Xavier Cadet, Cédric Damour, Yu LI, Alexandre G. de Brevern, Alain Miranville, Frederic CADET · PDF
  21. Beyond Visual Inspection: Principled Benchmarking of Single-Cell Trajectory Representations with scTRAM

    Kemal Inecik, Malte D Luecken, Fabian J Theis · PDF
  22. Bimodal masked language modeling for bulk RNA-seq and DNA methylation representation learning

    Maxence Gélard, Hakim Benkirane, Thomas Pierrot, Guillaume Richard, Paul-Henry Cournède · PDF
  23. BindEnergyCraft: Casting Protein Structure Predictors as Energy-Based Models for Binder Design

    Divya Nori, Anisha Parsan, Caroline Uhler, Wengong Jin · PDF
  24. Biological Reasoning with Reinforcement Learning through Natural Language Enables Generalizable Zero-Shot Cell Type Annotations

    Xi Wang, Runzi Tan, Simona Cristea · PDF
  25. BoltzNCE: Learning Likelihoods for Boltzmann Generation with Stochastic Interpolants and Noise Contrastive Estimation

    Rishal Aggarwal, Jacky Chen, Nicholas Matthew Boffi, David Koes · PDF
  26. Bridging Quantum and Classical Computing in Drug Design: Architecture Principles for Improved Molecule Generation

    Andrew Smith, Erhan Guven · PDF
  27. Bures-Wasserstein Flow Matching for Graph Generation

    Keyue Jiang, Jiahao Cui, Xiaowen Dong, Laura Toni · PDF
  28. Calibrating Generative Models

    Henry Smith, Brian L. Trippe · PDF
  29. Chemical Reaction Network Implementation of Logic Gates and Neural Networks Using a Molecular Exchange Mechanism

    Muhtasim Ishmum Khan, Moshiur Rahman, Md. Shahriar Karim · PDF
  30. CoFM: Molecular Conformation Generation via Flow Matching in SE(3)-Invariant Latent Space

    Guikun Xu, Yankai Yu, Yongquan Jiang, Yan Yang, Yatao Bian · PDF
  31. Connecting Gene Expression and Tissue Morphology with Conditional Generative Models

    Frederieke Lohmann, Alberto Valdeolivas, Jelica Vasiljević · PDF
  32. Consistent Sampling and Simulation: Molecular Dynamics with Energy-Based Diffusion Models

    Michael Plainer, Hao Wu, Leon Klein, Stephan Günnemann, Frank Noe · PDF
  33. Constrained Molecular Generation via Sequential Flow Model Fine-Tuning

    Sven Gutjahr, Riccardo De Santi, Luca Schaufelberger, Kjell Jorner, Andreas Krause · PDF
  34. CryoSAMU: Enhancing 3D Cryo-EM Density Maps of Protein Structures at Intermediate Resolution with Structure-Aware Multimodal U-Nets

    Chenwei Zhang, Khanh Dao Duc · PDF
  35. DePO: Elicit Chemical Reasoning Capability via Demonstration-Guided Policy Optimization

    Xuan Li, Zhanke Zhou, Zongze Li, Jiangchao Yao, Yu Rong, Lu Zhang, Bo Han · PDF
  36. Design in Voxel Space Decode in SMILES Space: Plixer Generates Drug-Like Molecules for Protein Pockets

    Jude Wells, Brooks Paige · PDF
  37. Diffusion models with group symmetries for biomolecule generation

    Wenran LI, Xavier Cadet, David Medina, Mehdi D. Davari, Ramanathan Sowdhamini, Cédric Damour, Yu LI, Alain Miranville, Frederic CADET · PDF
  38. Diffusion-Free Graph Generation with Next-Scale Prediction

    Samuel Belkadi, Dat Minh Hong, Marian Chen, Miruna Cretu, Charles Harris, Pietro Lio · PDF
  39. DisProtEdit: Exploring Disentangled Representations for Multi-Attribute Protein Editing

    Max Ku, Sun Sun, Hongyu Guo, Wenhu Chen · PDF
  40. DIVER-0 : A Fully Channel Equivariant EEG Foundation Model

    Danny Dongyeop Han, Ahhyun Lucy Lee, Taeyang Lee, Yonghyeon Gwon, Sebin Lee, Seong Jin Lee, David Keetae Park, Shinjae Yoo, Chun Kee Chung, Jiook Cha · PDF
  41. Diversity by Design: Addressing Mode Collapse Improves scRNA-seq Perturbation Modeling on Well-Calibrated Metrics

    Gabriel Mateo Mejia, Henry E Miller, Francis J.A. Leblanc, BO WANG, Brendan Swain, Lucas Paulo de Lima Camillo · PDF
  42. Do we need equivariant models for molecule generation?

    Ewa Nowara, Joshua A Rackers, Patricia Adriana Suriana, Pan Kessel, Max W Shen, Andrew Martin Watkins, Michael Maser · PDF
  43. Drug Discovery SMILES-to-Pharmacokinetics Diffusion Models with Deep Molecular Understanding

    Bing Xu Hu, Anita Layton, Helen Hong Chen · PDF
  44. eccDNAMamba: A Pre-Trained Model for Ultra-Long eccDNA Sequence Analysis

    Zhenke Liu, Jien Li, Ziqi Zhang · PDF
  45. Efficient Models For Molecular Property Prediction

    Sairam Narendra Babu, Rishabh Bhattacharya · PDF
  46. Electrostatics from Laplacian Eigenbasis for Neural Network Interatomic Potentials

    Maksim Zhdanov, Vladislav Kurenkov · PDF
  47. Enhancing AlphaFold3 for Protein-Ligand Co-Folding via Reinforcement Learning

    Yu Pei, Yuxuan Song, Zhilong Zhang, Keyue Qiu, Hao Zhou, Wei-Ying Ma · PDF
  48. EpiBinder: a multimodal deep learning model at base-resolution to analyze in vivo Transcription Factor-DNA Binding

    Ruben Solozabal, Albert Baichorov, Tamir Avioz, Le Song, Martin Takáč, Ariel Afek · PDF
  49. EpitopeGen: Learning to Generate T Cell Epitopes: A Semi-Supervised Approach with Biological Constraints

    Minuk Ma, Wilson Tu, Carlos Vasquez-Rios, Jiarui Ding · PDF
  50. Exploring Adversarial Robustness in Classification tasks using DNA Language Models

    Hyunwoo Yoo, Haebin Shin, Kaidi Xu, Gail Rosen · PDF
  51. Fast and Scalable Gene Embedding Search: A Comparative Study of FAISS and ScaNN

    Mohammadsaleh Refahi, Gavin Hearne, Harrison Muller, Kieran Lynch, Bahrad A. Sokhansanj, James R. Brown, Gail Rosen · PDF
  52. FIGRDock: Fast Interaction-Guided Regression for Flexible Docking

    Shikun Feng, Bicheng Lin, Yuanhuan Mo, Yuyan Ni, Wenyu Zhu, Bowen Gao, Wei-Ying Ma, haitao li, Yanyan Lan · PDF
  53. Flow Density Control: Generative Optimization Beyond Entropy-Regularized Fine-Tuning

    Riccardo De Santi, Marin Vlastelica, Ya-Ping Hsieh, Zebang Shen, Niao He, Andreas Krause · PDF
  54. Forecasting H1N1 Influenza Pandemic and Seasonal Evolution

    Aarushi Mehrotra, Sarah Gurev, Noor Youssef, Debora Susan Marks · PDF
  55. Foreground-aware Virtual Staining for Accurate 3D Cell Morphological Profiling

    Alexandr A. Kalinin, Paula Llanos, Theresa Maria Sommer, Giovanni Sestini, Xinhai Hou, Jonathan Z. Sexton, Xiang Wan, Ivo Dinov, Brian Athey, nicolas clement rivron, Anne E Carpenter, Beth A Cimini, Shantanu Singh, Matthew J. O'Meara · PDF
  56. FORT: Forward-Only Regression Training of Normalizing Flows

    Danyal Rehman, Oscar Davis, Jiarui Lu, Jian Tang, Michael M. Bronstein, Yoshua Bengio, Alexander Tong, Joey Bose · PDF
  57. From Fragments to Geometry: A Unified Graph Transformer for Molecular Representation from Conformer Ensembles

    Duy Minh Ho Nguyen, Trung Quoc Nguyen, Ha Thi Hong Le, Mai Thanh Nhat Truong, TrungTin Nguyen, Nhat Ho, Khoa D Doan, Duy Duong-Tran, Li Shen, Daniel Sonntag, James Zou, Mathias Niepert, Hyojin Kim, Jonathan E Allen · PDF
  58. Generating readily synthesizable dye scaffolds with SyntheFluor

    Ruhi Sayana, Jennifer Xu, Kate Callon, Jonathan Deutsch, James Zou, John Janetzko, Rabindra V. Shivnaraine, Kyle Swanson · PDF
  59. Generation of structure-guided pMHC-I libraries using Diffusion Models

    Sergio Emilio Mares, Ariel Espinoza Weinberger, Nilah M Ioannidis · PDF
  60. Guided Generation for Developable Antibodies

    Siqi Zhao, Joshua Moller, Lood van Niekerk · PDF
  61. HM-GIM: A Probabilistic Neural Model for Discovering Heterogeneous Microbiome or Human Gene Groupings and Their Interactions

    Jiening Zhu, Isin Yagmur Comba, Shakti K. Bhattarai, Vanni Bucci, Georg K. Gerber · PDF
  62. How Good is AlphaFold3 at Ranking Drug Binding Affinities?

    Xin Hong, Bowen Gao, Yinjun Jia, Wenyu Zhu, Qixuan Chen, Xiaohe Tian, Zhenyi Zhong, Jianhui Wang, Yanyan Lan · PDF
  63. HybridLinker: Topology-Guided Posterior Sampling for Enhanced Diversity and Validity in 3D Molecular Linker Generation

    Minyeong Hwang, Ziseok Lee, Kwang-Soo Kim, Kyungsu Kim, Eunho Yang · PDF
  64. Ibex: Pan-immunoglobulin structure prediction

    Frederic A Dreyer, Karolis Martinkus, Jan Ludwiczak, Brennan Abanades, Robert G Alberstein, Pranav Rao, Jae Hyeon Lee, Richard Bonneau, Andrew Martin Watkins, Franziska Seeger · PDF
  65. Importance-Weighted Training of Diffusion Samplers

    Sanghyeok Choi, Sarthak Mittal, Víctor Elvira, Jinkyoo Park, Nikolay Malkin · PDF
  66. Improving Genomic Models via Task-Specific Self-Pretraining

    Sohan Mupparapu, Parameswari Krishnamurthy, Ratish Puduppully · PDF
  67. Improving Inverse Folding for Peptide Design with Diversity-regularized Direct Preference Optimization

    Ryan Park, Darren J. Hsu, C. Brian Roland, Maria Korshunova, Chen Tessler, Shie Mannor, Olivia Viessmann, Bruno Trentini · PDF
  68. In silico design of epigenetic reprogramming payloads

    Lucas Seninge, Conner Samuel Kummerlowe, David L Reynolds, Nicholas Bernstein, Jacob C. Kimmel · PDF
  69. Integrating Bilinear Transduction with Message Passing Neural Networks for Improved ADMET Property Prediction

    Claire Suen, Alan C Cheng · PDF
  70. Intrinsic Evaluation of DNA Embeddings in Genome Language Models: Insights from Yeast Genomic Sequences

    Ruhaib Muhammad, Rajeeva Lokshanan Reguna Madhan, Roshan Balaji, Nirav Pravinbhai Bhatt · PDF
  71. JAMUN: Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensemble Generation

    Ameya Daigavane, Bodhi P. Vani, Darcy Davidson, Saeed Saremi, Joshua A Rackers, Joseph Kleinhenz · PDF
  72. Joint Probabilistic Modeling of Pseudobulk and Single-Cell Transcriptomics Enables Accurate Estimation of Cell Type Composition

    Simon Grouard, Khalil Ouardini, Yann Rodriguez, Jean-Philippe Vert, Almudena Espin-Perez · PDF
  73. KODA: An agentic framework for KEGG orthology-driven discovery of antimicrobial drug targets in gut microbiome

    Javad Aminian Dehkordi, Mohammad S. Parsa, Mohsen Naghipourfar, Mohammad Mofrad · PDF
  74. LapDDPM: A Conditional Graph Diffusion Model for scRNA-seq Generation with Spectral Adversarial Perturbations

    Lorenzo Bini, Stephane Marchand-Maillet · PDF
  75. Learning Collective Variables from Time-lagged Generation

    Seonghyun Park, Kiyoung Seong, Soojung Yang, Rafael Gomez-Bombarelli, Sungsoo Ahn · PDF
  76. Learning Diffusion Models with Flexible Representation Guidance

    Chenyu Wang, Cai Zhou, Sharut Gupta, Zongyu Lin, Stefanie Jegelka, Stephen Bates, Tommi Jaakkola · PDF
  77. Ligand Iterative Sampling for Affinity Refinement and Drug Discovery (LISARDD)

    Valentin BADEA, Shyam Chandra, John Lin · PDF
  78. LLMs for Experiment Design in Scientific Domains: Are We There Yet?

    Rushil Gupta, Jason Hartford, Bang Liu · PDF
  79. Measuring Scientific Capabilities of Language Models with a Systems Biology Dry Lab

    Haonan Duan, Stephen Zhewen Lu, Caitlin F. Harrigan, Nishkrit Desai, Jiarui Lu, Michał Koziarski, Leonardo Cotta, Chris J. Maddison · PDF
  80. Minimum-Excess-Work Guidance

    Christopher Kolloff, Tobias Höppe, Emmanouil Angelis, Mathias Jacob Schreiner, Stefan Bauer, Andrea Dittadi, Simon Olsson · PDF
  81. MINT: Multimodal Integrated Knowledge Transfer to Large Language Models through Preference Optimization with Biomedical Applications

    Da Wu, Zhanliang Wang, Quan Minh Nguyen, Zhuoran Xu, Kai Wang · PDF
  82. Mixtures of Neural Cellular Automata: A Stochastic Framework for Biological Growth Modelling

    Salvatore Milite, Giulio Caravagna, Andrea Sottoriva · PDF
  83. Modeling Microenvironment Trajectories on Spatial Transcriptomics with NicheFlow

    Kristiyan Sakalyan, Alessandro Palma, Filippo Guerranti, Fabian J Theis, Stephan Günnemann · PDF
  84. Modeling Molecular Sequences with Learning-Order Autoregressive Models

    Zhe Wang, Jiaxin Shi, Nicolas Heess, Michalis Titsias, Arthur Gretton, Yee Whye Teh · PDF
  85. Molecular Cues to Smart Sequences: Optimizing Early Round SELEX Sequences

    Soniya, Runjhun Saran Narayan, Nived Ambadipudi, Apurva Narayan · PDF
  86. MolFORM: Multi-modal Flow Matching for Structure-Based Drug Design

    Jie Huang, Daiheng Zhang · PDF
  87. MolGuidance: A Comparative Study of Guidance Methods for Conditional Molecule Generation

    Cheng Zeng, Jirui Jin, Pawan Prakash, George Karypis, Mark Transtrum, Ellad B. Tadmor, Richard Hennig, Adrian Roitberg, Stefano Martiniani, Mingjie Liu · PDF
  88. Multi-Granular Contrastive Alignment and Fusion for Fragment-Enhanced Virtual Screening

    Haichuan Tan, Bowen Gao, Jiaxin Li, Yanwen Huang, Wenyu Zhu, Jianhui Wang, Yinjun Jia, Yuanhuan Mo, Ya-Qin Zhang, Wei-Ying Ma, Yanyan Lan · PDF
  89. Multi-Objective-Guided Discrete Flow Matching for Controllable Biological Sequence Design

    Tong Chen, Yinuo Zhang, Sophia Tang, Pranam Chatterjee · PDF
  90. Multi-Objective-Guided Generative Design of mRNA with Therapeutic Properties

    Sawan Patel, Sophia Tang, Yinuo Zhang, Pranam Chatterjee, Sherwood Yao · PDF
  91. Multi-state Protein Design with DynamicMPNN

    Alex Abrudan, Sebastian Pujalte Ojeda, Chaitanya K. Joshi, Matthew Greenig, Felipe Engelberger, Alena Khmelinskaia, Jens Meiler, Michele Vendruscolo, Tuomas Knowles · PDF
  92. Multimodal Benchmarking of Foundation Model Representations for Cellular Perturbation Response Prediction

    Euxhen Hasanaj, Elijah Cole, Shahin Mohammadi, Sohan Addagudi, Xingyi Zhang, Le Song, Eric P. Xing · PDF
  93. No Clear Winner at Small Scale: Comparing Modern Sequence Architectures and Training Strategies for Genomic Language Models

    Vera Milovanović, Antonio Orvieto · PDF
  94. NovoMolGen: Rethinking Molecular Language Model Pretraining

    Kamran Chitsaz, Roshan Balaji, Quentin Fournier, Nirav Pravinbhai Bhatt, Sarath Chandar · PDF
  95. NucleoBench: A Large-Scale Benchmark of Neural Nucleic Acid Design Algorithms

    Joel Shor, Erik Strand, Cory Y McLean · PDF
  96. OrthoGraphRAG: Enhancing Clinical Decision Making with Multi-Level Knowledge Graphs

    Venkatesh Tata, Zohra Bouchamaoui, Nagavaishnavi V Bhaskara · PDF
  97. Partition Generative Modeling: Masked Modeling Without Masks

    Justin Deschenaux, Lan Tran, Caglar Gulcehre · PDF
  98. PhenoGraph: A Multi-Agent Framework for Phenotype-driven Discovery in Spatial Transcriptomics Data Augmented with Knowledge Graphs

    Seyednami Niyakan, Xiaoning Qian · PDF
  99. Pi-SAGE: Permutation-invariant surface-aware graph encoder for binding affinity prediction

    Sharmi Banerjee, Mostafa Karimi, Melih Yilmaz, Tommi Jaakkola, Bella Dubrov, Shang Shang, Ron Benson · PDF
  100. Predicting function of evolutionarily implausible DNA sequences

    Shiyu Jiang, Xuyin Liu, Zitong Jerry Wang · PDF
  101. Predicting Microbial Ontology and Pathogen Risk from Environmental Metadata with Large Language Models

    Hyunwoo Yoo, Gail Rosen · PDF
  102. Progressive Inference-Time Annealing of Diffusion Models for Sampling from Boltzmann Densities

    Tara Akhound-Sadegh, Jungyoon Lee, Joey Bose, Valentin De Bortoli, Arnaud Doucet, Michael M. Bronstein, Dominique Beaini, Siamak Ravanbakhsh, Kirill Neklyudov, Alexander Tong · PDF
  103. Promoter Sequence Generation using Homology Prompting

    Erik Xie, Courtney A. Shearer, Ruben Weitzman, Pascal Notin, Debora Susan Marks · PDF
  104. Protein Generator with Ribosomal Origin and Folding

    MinGyu Choi, Derek Chen, Tommi Jaakkola, Regina Barzilay · PDF
  105. ProteinCrow: A Language Model Agent That Can Design Proteins

    Manvitha Ponnapati, Sam Cox, Cade W Gordon, Michael J Hammerling, Siddharth Narayanan, Jon M Laurent, James D. Braza, Michaela M. Hinks, Michael D Skarlinski, Samuel G Rodriques, Andrew White · PDF
  106. ProVADA: Generating Subcellular Protein Variants via Ensemble-Guided Test-Time Steering

    Wenhui Sophia Lu, Xiaowei Zhang, L. Santiago Mille-Fragoso, Haoyu Dai, Xiaojing J Gao, Wing Hung Wong · PDF
  107. ProxelGen: Generating Proteins as 3D Densities

    Felix Faltings, Hannes Stark, Regina Barzilay, Tommi Jaakkola · PDF
  108. Pullback Flow Matching on Data Manifolds

    Friso de Kruiff, Erik J Bekkers, Ozan Öktem, Carola-Bibiane Schönlieb, Willem Diepeveen · PDF
  109. Rapid and Reproducible Multimodal Biological Foundation Model Development with AIDO.ModelGenerator

    Caleb Ellington, Dian Li, Shuxian Zou, Elijah Cole, Ning Sun, Sohan Addagudi, Le Song, Eric P. Xing · PDF
  110. Rapidash: Scalable Molecular Modeling Through Controlled Equivariance Breaking

    Sharvaree Vadgama, Erik J Bekkers · PDF
  111. Representing local protein environments with atomistic foundation models

    Meital Bojan, Sanketh Vedula, Sai Advaith Maddipatla, Nadav Bojan, Federico Napoli, Paul Schanda, Alexander Bronstein · PDF
  112. Retrieval Augmented Protein Language Models for Protein Structure Prediction

    Pan Li, Xingyi Cheng, Le Song, Eric P. Xing · PDF
  113. Revisiting Sampling Strategies for Molecular Generation

    Yuyan Ni, Shikun Feng, Wei-Ying Ma, Zhi-Ming Ma, Yanyan Lan · PDF
  114. Riemannian generative decoder

    Andreas Bjerregaard, Søren Hauberg, Anders Krogh · PDF
  115. Robust Molecular Property Prediction via Densifying Scarce Labeled Data

    Jina Kim, Jeffrey Willette, Bruno Andreis, Sung Ju Hwang · PDF
  116. Scaffold-Driven GPT Model for Drug Optimization

    Xuefeng Liu, Songhao Jiang, Ian Foster, Jinbo Xu, Rick L. Stevens · PDF
  117. scAgents: A Multi-Agent Framework for Fully Autonomous End-to-End Single-Cell Perturbation Analysis

    Xiangru Tang, Zhuoyun Yu, Jiapeng Chen, Yan Cui, Yanjun Shao, Fang Wu, Kexu Li, Wangchunshu Zhou, Weixu Wang, Zhi Huang, Arman Cohan, Smita Krishnaswamy, Mark Gerstein · PDF
  118. Scaling and Saturation Protein Language Models with Biological Data

    Aviv Spinner, Erika DeBenedictis · PDF
  119. Self-supervised learning predicts plant growth trajectories from multi-modal industrial greenhouse data

    Adam Joseph Riesselman, Evan M Cofer, Therese LaRue, Wim Meeussen · PDF
  120. Self-Supervised Representation Learning for Microbiome Improves Downstream Prediction in Data-Limited Settings and Cross-Cohort Generalizability

    Liron Zahavi, Zachary Levine, Eran Segal · PDF
  121. SIMBA-GNN: Simulation-augmented Microbiome Abundance Graph Neural Network

    Mohammad S. Parsa, Javad Aminian Dehkordi, Mohammad Mofrad · PDF
  122. Simultaneous Modeling of Protein Conformation and Dynamics via Autoregression

    Yuning Shen, Lihao Wang, Huizhuo Yuan, Yan Wang, Bangji Yang, Quanquan Gu · PDF
  123. SMICE: enhanced conformational sampling using AlphaFold and coevolutionary information

    Yongkai Chen, Samuel W. K. Wong, Samuel Kou · PDF
  124. SOAPIA: Siamese-Guided Generation of Off Target-Avoiding Protein Interactions with High Target Affinity

    Sophia Vincoff, Oscar Davis, Ismail Ilkan Ceylan, Alexander Tong, Joey Bose, Pranam Chatterjee · PDF
  125. Sparse Autoencoders in Protein Engineering Campaigns: Steering and Model Diffing

    Gerard Boxo Corominas, Filippo Stocco, Noelia Ferruz · PDF
  126. Spatial Cell-Guided Pretraining for Scalable Spatial Transcriptomics Foundation Model

    Jing Gong, Yixuan Wang, Nicholas Ho, Xingyi Cheng, Le Song, Eric P. Xing · PDF
  127. Straight but not so fast: Challenges with Rectified Flows in Protein Design.

    Junhua Chen, Simon V Mathis, Charles Harris, Kieran Didi, Pietro Lio · PDF
  128. Straight-Line Diffusion Model for Efficient 3D Molecular Generation

    Yuyan Ni, Shikun Feng, Haohan Chi, Bowen Zheng, Huan-ang Gao, Wei-Ying Ma, Zhi-Ming Ma, Yanyan Lan · PDF
  129. STRAND: Structure Refinement of RNA-Protein Complexes via Diffusion

    Mohsen Al-zeqri, Jörg K.H. Franke, Frederic Runge · PDF
  130. SurfProp: A surface-based property prediction framework for antibody developability and screening

    Pranav Rao, Henry Isaacson, Jennifer L. Hofmann, Darcy Davidson, Amy Wang, Andrew Martin Watkins, Richard Bonneau, Saeed Izadi, Jae Hyeon Lee · PDF
  131. SynCoGen: Synthesizable 3D Molecule Generation via Joint Reaction and Coordinate Modeling

    Andrei Rekesh, Miruna Cretu, Dmytro Shevchuk, Vignesh Ram Somnath, Pietro Lio, Robert A. Batey, Mike Tyers, Michał Koziarski, Cheng-Hao Liu · PDF
  132. SynPair: Pairing Unpaired Antibody Chains at Billion-Sequence Scale With Contrastive Learning

    Oliver M. Turnbull, Charlotte Deane · PDF
  133. TABASCO: A Fast, Simplified Model for Molecular Generation with Improved Physical Quality

    Carlos Vonessen, Charles Harris, Miruna Cretu, Pietro Lio · PDF
  134. TACTIC: An Explainable Multi-Agent Architecture for Classification & Interpretable Reasoning in Spatial Transcriptomics

    Abdel Rahman Alsabbagh, Mahmoud Zahran, Ali Balubaid, Sumeer Ahmad Khan, Robert Lehmann, Xabier Martinez de Morentin, Vincenzo Lagani, Narsis A. Kiani, David Gomez-Cabrero, Jesper Tegnér · PDF
  135. Teddy: A FAMILY OF FOUNDATION MODELS FOR UNDERSTANDING SINGLE CELL BIOLOGY

    Alexis Chevalier, Soumya Ghosh, Urvi Awasthi, James Watkins, Julia Bieniewska, Nichita Mitrea, Olga Kotova, Kirill Shkura, Andrew Noble, Michael J. Steinbaugh, Vijay Sadashivaiah, George Dasoulas, Julien Delile, Christoph Meier, Leonid Zhukov, Iya Khalil, Srayanta Mukherjee, Judith Mueller · PDF
  136. Tissue Reassembly with Generative AI

    Tingyang Yu, Chanakya Ekbote, Nikita Morozov, Jiashuo Fan, Pascal Frossard, Stéphane d'Ascoli, Maria Brbic · PDF
  137. To Optimize, Not to Invent: RNAGenScape for mRNA Sequence Generation and Optimization Without de novo Design

    Danqi Liao, Chen Liu, Xingzhi Sun, Die Tang, Haochen Wang, Scott Elliot Youlten, Antonio J. Giraldez, Smita Krishnaswamy · PDF
  138. Torsional-GFN: a conditional conformation generator for small molecules

    Lena Nehale Ezzine, Alexandra Volokhova, Piotr Gaiński, Luca Scimeca, Emmanuel Bengio, Prudencio Tossou, Yoshua Bengio, Alex Hernández-García · PDF
  139. Towards functional annotation with latent protein language model features

    Jake Silberg, Elana Simon, James Zou · PDF
  140. Towards Molecular Conformer Generation with Language Models

    Menua Bedrosian, Hrant Khachatrian · PDF
  141. ToxBench: A Binding Affinity Prediction Benchmark with AB-FEP-Calculated Labels for Human Estrogen Receptor Alpha

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