ICML 2024 Workshop ML4LMS Submissions

Generalizing Microscopy Image Labeling via Layer-Matching Adversarial Domain Adaptation
ICML 2024 Workshop ML4LMS
- Published: 17 Jun 2024, Last Modified: 18 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Limitations of scRNA-seq Zero-Imputation Methods for Network Inference
Ankit Bhardwaj, Joshua Weiner, Preetha Balasubramanian, Lakshmi Subramanian
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Generative Modeling of Molecular Dynamics Trajectories
Bowen Jing, Hannes Stark, Tommi Jaakkola, Bonnie Berger
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Graph-Based Retriever Captures the Long Tail of Biomedical Knowledge
Julien Delile, Srayanta Mukherjee, Anton Van Pamel, Leonid Zhukov
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Exploring sequence landscape of biosynthetic gene clusters with protein language models
Tatiana Malygina, Olga Kalinina
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Gene-centric evaluation of causal variant prediction for DNA models
Chantriolnt-Andreas Kapourani, Alice Del Vecchio, Agnieszka Dobrowolska, Andrew Anighoro, Edith M. Hessel, Lindsay Edwards, Cristian Regep
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Structural activity prediction models recover known binding modes (Poster abstract)
Michael Backenköhler, Joschka Groß, Paula Linh Kramer, Verena Wolf, Andrea Volkamer
- Published: 17 Jun 2024, Last Modified: 08 Aug 2024
- ML4LMS Poster
- Readers: Everyone
Improving Molecular Modeling with Geometric GNNs: an Empirical Study
Ali Ramlaoui, Théo Saulus, Basile Terver, Victor Schmidt, David Rolnick, Fragkiskos D. Malliaros, Alexandre AGM Duval
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Likelihood-based fine-tuning of protein language models for few-shot fitness prediction and design
Alex Hawkins-Hooker, Jakub Kmec, Oliver Bent, Paul Duckworth
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Protein language models expose viral mimicry and immune escape
Dan Ofer, Michal Linial
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Multi-Modal and Multi-Task Transformer for Small Molecule Drug Discovery
Sai Krishna Sirumalla, David Stephen Farina Jr, Zhuoran Qiao, Daniele Alessandro Di Cesare, Felipe Costas Farias, Michael Bernard O’Connor, Peter John Bygrave, Feizhi Ding, Thomas Dresselhaus, Marcelo Gomes Pereira de Lacerda, Jason Matthew Swails, Daniel Miles, Matthew Welborn, Fred Manby, Thomas Miller
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Flexible Docking via Unbalanced Flow Matching
Gabriele Corso, Vignesh Ram Somnath, Noah Getz, Regina Barzilay, Tommi Jaakkola, Andreas Krause
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Generative acceleration of molecular dynamics simulations for solid-state electrolytes
Juno Nam, Sulin Liu, Gavin Winter, Rafael Gomez-Bombarelli
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Oral
- Readers: Everyone
Enhancing Multi-Tip Artifact Detection in STM Images Using Fourier Transform and Vision Transformers
Tommaso Rodani, Alessio ansuini, Alberto Cazzaniga
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
PLINDER: The protein-ligand interactions dataset and evaluation resource
Janani Durairaj, Yusuf Adeshina, Zhonglin Cao, Xuejin Zhang, Vladas Oleinikovas, Thomas Duignan, Zachary McClure, Xavier Robin, Emanuele Rossi, Guoqing Zhou, Srimukh Prasad Veccham, Clemens Isert, Yuxing Peng, Prabindh Sundareson, Mehmet Akdel, Gabriele Corso, Hannes Stark, Zachary Wayne Carpenter, Michael M. Bronstein, Emine Kucukbenli et al. (2 additional authors not shown)
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
CellFlows: Inferring Splicing Kinetics from Latent and Mechanistic Cellular Dynamics
Sei Chang, Zaiqian Chen, Bianca Dumitrascu, David A. Knowles
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
RGFN: Synthesizable Molecular Generation Using GFlowNets
Michał Koziarski, Andrei Rekesh, Dmytro Shevchuk, Almer M. van der Sloot, Piotr Gaiński, Yoshua Bengio, Cheng-Hao Liu, Mike Tyers, Robert A. Batey
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Improving Fragment-Based Deep Molecular Generative Models
Panukorn Taleongpong, Brooks Paige
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Oral
- Readers: Everyone
Cell Morphology-Guided Small Molecule Generation with GFlowNets
Stephen Zhewen Lu, Ziqing Lu, Ehsan Hajiramezanali, Tommaso Biancalani, Yoshua Bengio, Gabriele Scalia, Michał Koziarski
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
GraphKAN: Graph Kolmogorov Arnold Network for Small Molecule-Protein Interaction Predictions
Tashin Ahmed, Md Habibur Rahman Sifat
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Accelerating the inference of string generation-based chemical reaction models for industrial applications
Mikhail Andronov, Natalia Andronova, Michael Wand, Djork-Arné Clevert, Jürgen Schmidhuber
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Multi-Objective Guidance via Importance Sampling for Target-Aware Diffusion-based De Novo Ligand Generation
Julian Cremer, Tuan Le, Frank Noe, Djork-Arné Clevert, Kristof T Schütt
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Latent-Guided Equivariant Diffusion for Controlled Structure-Based De Novo Ligand Generation
Tuan Le, Julian Cremer, Djork-Arné Clevert, Kristof T Schütt
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS 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: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Equivariant Flow Matching for Molecular Conformer Generation
Majdi Hassan, Nikhil Shenoy, Jungyoon Lee, Hannes Stark, Stephan Thaler, Dominique Beaini
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone