Fri 12:00 a.m. - 12:10 a.m.
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Opening Remark
SlidesLive Video
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🔗
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Fri 12:10 a.m. - 12:40 a.m.
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Invited Talk (Kevin Yang)
SlidesLive Video
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Fri 12:40 a.m. - 1:10 a.m.
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Invited Talk (Lenka Zdeborová)
SlidesLive Video
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Fri 1:10 a.m. - 1:40 a.m.
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Invited Talk (Megan Stanley)
SlidesLive Video
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Fri 1:40 a.m. - 2:30 a.m.
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Contributed Talk
SlidesLive Video
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🔗
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Fri 2:30 a.m. - 3:00 a.m.
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Invited Talk (Max Jaderberg)
SlidesLive Video
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🔗
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Fri 3:00 a.m. - 4:00 a.m.
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Poster Session A
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🔗
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Fri 4:00 a.m. - 5:00 a.m.
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Panel
SlidesLive Video
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🔗
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Fri 5:00 a.m. - 5:30 a.m.
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Invited Talk ( Sacha van Albada)
SlidesLive Video
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🔗
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Fri 5:30 a.m. - 6:00 a.m.
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Invited Talk (Yian Yin)
SlidesLive Video
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🔗
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Fri 6:00 a.m. - 6:30 a.m.
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Invited Talk (Gábor Csányi)
SlidesLive Video
|
🔗
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Fri 6:30 a.m. - 6:40 a.m.
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Coffee Break
|
🔗
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Fri 6:40 a.m. - 7:10 a.m.
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Contributed Talk
SlidesLive Video
|
🔗
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Fri 7:10 a.m. - 7:15 a.m.
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Closing Remark
SlidesLive Video
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🔗
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Fri 7:15 a.m. - 8:00 a.m.
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Poster Session B
|
🔗
|
-
|
RNAInvBench: Benchmark for the RNA Inverse Design Problem
(
Poster
)
>
link
|
Jack Cole · Fan Li · Liwen Wu · Ke Li
🔗
|
-
|
Antigen-Specific Antibody Design via Direct Energy-based Preference Optimization
(
Poster
)
>
link
|
Xiangxin Zhou · Dongyu Xue · Ruizhe Chen · Zaixiang Zheng · Liang Wang · Quanquan Gu
🔗
|
-
|
Large Language Models for Automated Open-domain Scientific Hypotheses Discovery
(
Poster
)
>
link
|
Zonglin Yang · Xinya Du · JUNXIAN LI · Jie Zheng · Soujanya Poria · Erik Cambria
🔗
|
-
|
Self-supervised learning for crystal property prediction via denoising
(
Poster
)
>
link
|
Alexander New · Nam Q. Le · Michael Pekala · Christopher Stiles
🔗
|
-
|
Accelerating Simulation of Two-Phase Flows with Neural PDE Surrogates
(
Poster
)
>
link
|
Yoeri Poels · Koen Minartz · Harshit Bansal · Vlado Menkovski
🔗
|
-
|
Transfer Learning in Multi-fidelity Surrogate Modeling: A Wind Farm Case
(
Poster
)
>
link
|
Dichang Zhang · Zexia Zhang · Christian Santoni · Ali Khosronejad · Samaras Dimitris
🔗
|
-
|
PIED: Physics-Informed Experimental Design For Inverse Problems
(
Poster
)
>
link
|
Apivich Hemachandra · Gregory Kang Ruey Lau · See-Kiong Ng · Bryan Kian Hsiang Low
🔗
|
-
|
AsEP: Benchmarking Deep Learning Methods for Antibody-specific Epitope Prediction
(
Poster
)
>
link
|
ChuNan Liu · Lilian Denzler · Yihong Chen · Brooks Paige · Andrew Martin
🔗
|
-
|
Many-Shot In-Context Learning for Molecular Inverse Design
(
Poster
)
>
link
|
16 presenters
Saeed Moayedpour · Alejandro Corrochano-Navarro · Faryad Sahneh · Alexander Koetter · Jiří Vymětal · Lorenzo Anele · Pablo Mas · Yasser Jangjoo · Sizhen Li · Michael Bailey · Marc Bianciotto · Hans Matter · Christoph Grebner · Gerhard Hessler · Ziv Bar-Joseph · Sven Jager
🔗
|
-
|
TarDis: Achieving Robust and Structured Disentanglement of Multiple Covariates
(
Poster
)
>
link
|
Kemal Inecik · Aleyna Kara · Antony Rose · Muzlifah Haniffa · Fabian Theis
🔗
|
-
|
MESS: Modern Electronic Structure Simulations
(
Poster
)
>
link
|
Hatem Helal · Andrew Fitzgibbon
🔗
|
-
|
Processing large-scale Graphs with G-Signatures
(
Poster
)
>
link
|
Lukas Gruber · Bernhard Schäfl · Johannes Brandstetter · Sepp Hochreiter
🔗
|
-
|
Boost your crystal model with denoising pre-training
(
Poster
)
>
link
|
Shuaike Shen · Ke Liu · Muzhi Zhu · Hao Chen
🔗
|
-
|
Topological Neural Networks go Persistent, Equivariant and Continuous
(
Poster
)
>
link
|
Yogesh Verma · Amauri Souza · Vikas Garg
🔗
|
-
|
Training Compute-Optimal Protein Language Models
(
Spotlight
)
>
link
|
Xingyi Cheng · Bo Chen · Pan Li · Jing Gong · Jie Tang · Le Song
🔗
|
-
|
GraphBPE: Molecular Graphs Meet Byte-Pair Encoding
(
Poster
)
>
link
|
Yuchen Shen · Barnabás Póczos
🔗
|
-
|
Gene Regulatory Network Inference from Pre-trained Single-Cell Transcriptomics Transformer with Joint Graph Learning
(
Poster
)
>
link
|
Sindhura Kommu · Yizhi Wang · Yue Wang · Xuan Wang
🔗
|
-
|
A Neural Material Point Method for Particle-based Simulations
(
Poster
)
>
link
|
Omer Sharabi · Sacha Lewin · Gilles Louppe
🔗
|
-
|
Deep learning virtual screening with active signature learning improves the identification of small-molecule modulators of complex phenotypes
(
Spotlight
)
>
link
|
15 presenters
Daniel Burkhardt · Inna Lipchina · Samuel Miller · Benjamin Demeo · Doris Fu · peter holderreith · David Kim · Ishan Gupta · Charlotte Nesbitt · Thomas Pfefer · Raziel Rojas-Rodriguez · Zamanighomi · Mauricio Cortes · Alex Shalek · Fabian Theis
🔗
|
-
|
Retrieve to Explain: Evidence-driven Predictions with Language Models
(
Poster
)
>
link
|
Ravi Patel · Angus Brayne · Rogier Hintzen · Daniel Jaroslawicz · Georgiana Neculae · Dane Corneil
🔗
|
-
|
Unfolding Time: Generative Modeling for Turbulent Flows in 4D
(
Poster
)
>
link
|
Abdullah Saydemir · Marten Lienen · Stephan Günnemann
🔗
|
-
|
Iterative Sizing Field Prediction for Adaptive Mesh Generation From Expert Demonstrations
(
Poster
)
>
link
|
Niklas Freymuth · Philipp Dahlinger · Tobias Würth · Philipp Becker · Aleksandar Taranovic · Onno Grönheim · Luise Kärger · Gerhard Neumann
🔗
|
-
|
Synthetic Data-driven Prediction of Height for Childhood Malnutrition
(
Poster
)
>
link
|
David Berthiaume · Yuan Tang · Chau Nguyen · Siyu Gai · Maria E. Mazzolenis · Weiwei Pan
🔗
|
-
|
The Efficacy of Pre-training in Chemical Graph Out-of-distribution Generalization
(
Poster
)
>
link
|
Qi Liu · Rosa Chan · Rose Yu
🔗
|
-
|
Multi-Frequency Progressive Refinement for Learned Inverse Scattering
(
Poster
)
>
link
|
Owen Melia · Olivia Tsang · Vasilis Charisopoulos · Yuehaw Khoo · Jeremy Hoskins · Rebecca Willett
🔗
|
-
|
Active propulsion noise shaping for multi-rotor aircraft localization
(
Poster
)
>
link
|
Tamir Shor · Gabriele Serussi · Tom Hirshberg · Chaim Baskin · Alex Bronstein
🔗
|
-
|
Towards detailed and interpretable hybrid modeling of continental-scale bird migration
(
Spotlight
)
>
link
|
Fiona Lippert · Bart Kranstauber · Patrick Forré · Emiel van Loon
🔗
|
-
|
EggNet: An Evolving Graph-based Graph Attention Network for Particle Track Recontruction
(
Poster
)
>
link
|
Paolo Calafiura · Jay Chan · Loic Delabrouille · Brandon Wang
🔗
|
-
|
AROMA: Preserving Spatial Structure for Latent PDE Modeling with Local Neural Fields
(
Poster
)
>
link
|
Louis Serrano · Thomas Wang · Etienne Le Naour · Jean-Noël Vittaut · patrick gallinari
🔗
|
-
|
Text Serialization and Their Relationship with the Conventional Paradigms of Tabular Machine Learning
(
Poster
)
>
link
|
Simon Lee · Kyoka Ono
🔗
|
-
|
Improving the Accuracy of Coarse-grained Partial Differential Equations with Grid-based Reinforcement Learning
(
Poster
)
>
link
|
Jan-Philipp von Bassewitz · Sebastian Kaltenbach · Petros Koumoutsakos
🔗
|
-
|
Accelerating Electron Dynamics Simulations through Machine Learned Time Propagators
(
Poster
)
>
link
|
Karan Shah · Attila Cangi
🔗
|
-
|
Hyperspectral Unmixing for Raman Spectroscopy via Physics-Constrained Autoencoders
(
Oral
)
>
link
|
Dimitar Georgiev · Álvaro Fernández-Galiana · Simon Pedersen · Georgios Papadopoulos · Ruoxiao Xie · Molly Stevens · Mauricio Barahona
🔗
|
-
|
Geometric Self-Supervised Pretraining on 3D Protein Structures using Subgraphs
(
Poster
)
>
link
|
Michail Chatzianastasis · George Dasoulas · Michalis Vazirgiannis
🔗
|
-
|
Message-Passing Monte Carlo: Generating low-discrepancy point sets via Graph Neural Networks
(
Poster
)
>
link
|
T. Konstantin Rusch · Nathan Kirk · Michael Bronstein · Christiane Lemieux · Daniela Rus
🔗
|
-
|
Training-free Design of Augmentations with Data-centric Principles
(
Poster
)
>
link
|
Jieke Wu · Wei Huang · Mingyuan Bai · Xiaoling Hu · Yi Duan · Wuyang Chen
🔗
|
-
|
Euler operators for mis-specified physics-informed neural networks
(
Poster
)
>
link
|
Charlie Cowen-Breen · Yongji Wang · Stephen Bates · Ching-Yao Lai
🔗
|
-
|
A Classifier-Based Approach to Multi-Class Anomaly Detection Applied to Astronomical Time-Series
(
Poster
)
>
link
|
Daniel Muthukrishna · Rithwik Gupta
🔗
|
-
|
Projection Killer: peering through high dimensional posterior distribution
(
Poster
)
>
link
|
Marco Raveri · Cyrille Doux · Shivam Pandey
🔗
|
-
|
Inpainting Galaxy Counts onto N-Body Simulations over Multiple Cosmologies and Astrophysics
(
Poster
)
>
link
|
Antoine Bourdin · Ronan Legin · Matthew Ho · Alexandre Adam · Yashar Hezaveh · Laurence Perreault-Levasseur
🔗
|
-
|
Scalable Anomaly Detection in Batch Polishing Processes for Inertial Confinement Fusion Shells
(
Poster
)
>
link
|
Shashank Galla · Akash Tiwari · Kshitij Bhardwaj · Sean Hayes · Satish Bukkapatnam · Suhas Bhandarkar
🔗
|
-
|
Predicting dark matter halo masses from simulated galaxy images and environments
(
Poster
)
>
link
|
Austin Larson · John F. Wu · Craig Jones
🔗
|
-
|
Large-Scale Discovery of Experimental Designs in Super-Resolution Microscopy with XLuminA
(
Oral
)
>
link
|
Carla Rodríguez · Sören Arlt · Leonhard Möckl · Mario Krenn
🔗
|
-
|
MetaGFN: Exploring Distant Modes with Adapted Metadynamics for Continuous GFlowNets
(
Poster
)
>
link
|
Dominic Phillips · Flaviu Cipcigan
🔗
|
-
|
Prototype-Based Methods in Explainable AI and Emerging Opportunities in the Geosciences
(
Oral
)
>
link
|
Anushka Narayanan · Karianne Bergen
🔗
|
-
|
Smoke and Mirrors in Causal Downstream Tasks
(
Poster
)
>
link
|
Riccardo Cadei · Lukas Lindorfer · Sylvia Cremer · Cordelia Schmid · Francesco Locatello
🔗
|
-
|
Decoding Chemical Predictions: Group Contribution Methods for XAI
(
Poster
)
>
link
|
Gabriel Cathoud · Vignesh Ram Somnath · Luis Macedo · Kjell Jorner
🔗
|
-
|
Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling
(
Spotlight
)
>
link
|
Yuanqi Du · Michael Plainer · Rob Brekelmans · Chenru Duan · Frank Noe · Carla Gomes · Alan Aspuru-Guzik · Kirill Neklyudov
🔗
|
-
|
Graph Multi-Similarity Learning for Molecular Property Prediction
(
Poster
)
>
link
|
Hao Xu · Zhengyang Zhou · Pengyu Hong
🔗
|
-
|
Mind-to-Image: Projecting Visual Mental Imagination of the Brain from fMRI
(
Poster
)
>
link
|
Hugo Caselles-Dupré · CHARLES MELLERIO · Paul Herent · Alizée Lopez-Persem · Benoît Béranger · Pierre Fautrel · Gauthier Vernier · Matthieu Cord
🔗
|
-
|
On the Effectiveness of Quantum Chemistry Pre-training for Pharmacological Property Prediction
(
Poster
)
>
link
|
Arun Raja · Hongtao Zhao · Christian Tyrchan · Eva Nittinger · Michael Bronstein · Charlotte Deane · Garrett Morris
🔗
|
-
|
Deep Learning for Protein-Ligand Docking: Are We There Yet?
(
Spotlight
)
>
link
|
Alex Morehead · Nabin Giri · Jian Liu · Jianlin Cheng
🔗
|
-
|
Overconfident Oracles: Limitations of In Silico Sequence Design Benchmarking
(
Spotlight
)
>
link
|
Shikha Surana · Nathan Grinsztajn · Timothy Atkinson · Paul Duckworth · Thomas Barrett
🔗
|
-
|
Navigating Chemical Space with Latent Flows
(
Spotlight
)
>
link
|
Guanghao Wei · Yining Huang · Chenru Duan · Yue Song · Yuanqi Du
🔗
|
-
|
Equivariant Transformer Forcefields for Molecular Conformer Generation
(
Poster
)
>
link
|
Rui Feng · Binghong Chen · Chao Zhang
🔗
|
-
|
PathoLM: Identifying Pathogenicity From The DNA Sequence Through The Genome Foundation Model
(
Poster
)
>
link
|
Sajib Acharjee Dip
🔗
|
-
|
Consistent Validation for Predictive Methods in Spatial Settings
(
Poster
)
>
link
|
David Burt · Yunyi Shen · Tamara Broderick
🔗
|
-
|
Local lateral connectivity is sufficient for replicating cortex-like topographical organization in deep neural networks
(
Poster
)
>
link
|
Xinyu Qian · Amirozhan Dehghani · Asa Borzabadifarahani · Pouya Bashivan
🔗
|
-
|
Masking in Molecular Graphs Leveraging Reaction Context
(
Poster
)
>
link
|
Jiannan Yang · Veronika Thost · Tengfei Ma
🔗
|
-
|
SE(3)-Equivariant Diffusion Graph Nets: Synthesizing Flow Fields by Denoising Invariant Latents on Graphs
(
Spotlight
)
>
link
|
Mario Lino · Nils Thuerey · Tobias Pfaff
🔗
|
-
|
Efficient Evolutionary Search over Chemical Space with Large Language Models
(
Poster
)
>
link
|
14 presenters
Haorui Wang · Marta Skreta · Yuanqi Du · Wenhao Gao · Lingkai Kong · Cher-Tian Ser · Felix Strieth-Kalthoff · Chenru Duan · Yuchen Zhuang · Yue Yu · Yanqiao Zhu · Alan Aspuru-Guzik · Kirill Neklyudov · Chao Zhang
🔗
|
-
|
Accelerating statistical inferences in astrophysics with Neural Networks and Hamiltonian Monte Carlo
(
Poster
)
>
link
|
Diego Gonzalez-Hernandez · Molly Wolfson · Joseph Hennawi
🔗
|
-
|
Flexible Docking via Unbalanced Flow Matching
(
Poster
)
>
link
|
Gabriele Corso · Vignesh Ram Somnath · Noah Getz · Regina Barzilay · Tommi Jaakkola · Andreas Krause
🔗
|
-
|
AstroPT: Scaling Large Observation Models for Astronomy
(
Spotlight
)
>
link
|
Michael J. Smith · Ryan Roberts · Eirini Angeloudi · Marc Huertas-Company
🔗
|
-
|
NEBULA: Neural Empirical Bayes Under Latent Representations for Efficient and Controllable Design of Molecular Libraries
(
Spotlight
)
>
link
|
Ewa M. Nowara · Pedro O. Pinheiro · Sai Pooja Mahajan · Omar Mahmood · Andrew Watkins · Saeed Saremi · Michael Maser
🔗
|
-
|
Towards Enforcing Hard Physics Constraints in Operator Learning Frameworks
(
Poster
)
>
link
|
Valentin Duruisseaux · Miguel Liu-Schiaffini · Julius Berner · Anima Anandkumar
🔗
|
-
|
Accounting for Selection Effects in Supernova Cosmology with Simulation-Based Inference and Hierarchical Bayesian Modelling
(
Poster
)
>
link
|
Benjamin M. Boyd · Matthew Grayling · Kaisey Mandel
🔗
|
-
|
PAIR: Boosting the Predictive Power of Protein Representations with a Corpus of Text Annotations
(
Poster
)
>
link
|
Haonan Duan · Marta Skreta · Leonardo Cotta · Ella Rajaonson · Nikita Dhawan · Alan Aspuru-Guzik · Chris Maddison
🔗
|
-
|
Bayesian Optimization for the Discovery of Redox Active Quinones
(
Poster
)
>
link
|
Giacomo De Gobbi · Reyhan Yagmur · Janine Maier · Stefan Spirk · Robert Peharz
🔗
|
-
|
RamanSPy: Augmenting Raman Spectroscopy Data Analysis with AI
(
Poster
)
>
link
|
Dimitar Georgiev · Simon Pedersen · Ruoxiao Xie · Álvaro Fernández-Galiana · Molly Stevens · Mauricio Barahona
🔗
|
-
|
Improving AlphaFlow for Efficient Protein Ensembles Generation
(
Poster
)
>
link
|
Shaoning Li · Mingyu Li · 裕淞 王 · Xinheng He · Jian Zhang · Nanning Zheng · Pheng Ann Heng
🔗
|
-
|
RNA-FrameFlow for de novo 3D RNA Backbone Design
(
Spotlight
)
>
link
|
Rishabh Anand · Chaitanya Joshi · Alex Morehead · Arian Jamasb · Charles Harris · Simon Mathis · Kieran Didi · Bryan Hooi · Pietro Lió
🔗
|
-
|
Energy-Free Guidance of Geometric Diffusion Models for 3D Molecule Inverse Design
(
Poster
)
>
link
|
Aksh Garg · Jiaqi Han · Sanjay Nagaraj · Minkai Xu · Stefano Ermon
🔗
|
-
|
Neural Incremental Data Assimilation
(
Poster
)
>
link
|
Matthieu Blanke · Ronan Fablet · Marc Lelarge
🔗
|
-
|
Equation identification for fluid flows via physics-informed neural networks
(
Poster
)
>
link
|
Alexander New · Marisel Villafañe-Delgado · Charles Shugert
🔗
|
-
|
Generation and human-expert evaluation of interesting research ideas using knowledge graphs and large language models
(
Poster
)
>
link
|
Xuemei Gu · Mario Krenn
🔗
|
-
|
Causal Discovery over High-Dimensional Structured Hypothesis Spaces with Causal Graph Partitioning
(
Oral
)
>
link
|
Ashka Shah · Adela DePavia · Nathaniel Hudson · Ian Foster · Rick Stevens
🔗
|
-
|
Integrating Chemistry Knowledge in Large Language Models via Prompt Engineering
(
Poster
)
>
link
|
Hongxuan Liu · Haoyu Yin · Zhiyao Luo · Xiaonan Wang
🔗
|
-
|
Learning the boundary-to-domain mapping using Lifting Product Fourier Neural Operators for partial differential equations
(
Poster
)
>
link
|
Aditya Kashi · Arka Daw · Muralikrishnan Gopalakrishnan Meena · Hao Lu
🔗
|
-
|
MolGene-E: Inverse Molecular Design to Modulate Single Cell Transcriptomics
(
Poster
)
>
link
|
Rahul Ohlan · Raswanth Murugan · Li Xie · Mohammadsadeq Mottaqi · Shuo Zhang · Lei Xie
🔗
|
-
|
Filling in the Gaps: LLM-Based Structured Data Generation from Semi-Structured Scientific Data
(
Poster
)
>
link
|
Hanbum Ko · Hongjun Yang · Sehui Han · Sungwoong Kim · Sungbin Lim · Rodrigo S. Hormazabal
🔗
|
-
|
SemioLLM: Assessing Large Language Models for Semiological Analysis in Epilepsy Research
(
Poster
)
>
link
|
Meghal Dani · Muthu Prakash · Zeynep Akata · Stefanie Liebe
🔗
|
-
|
Basic Bayesian Optimization is Underrated for Molecule Design
(
Poster
)
>
link
|
Austin Tripp · Jose Miguel Hernandez-Lobato
🔗
|
-
|
On the Efficiency and Transferability of Inductive Mondrian Conformal Predictors for Drug-Drug Synergy
(
Poster
)
>
link
|
Arushi G K Majha
🔗
|
-
|
Forecasting Smog Clouds With Deep Learning: A Proof-Of-Concept
(
Poster
)
>
link
|
Valentijn Oldenburg · Juan Cardenas-Cartagena · Matias Valdenegro-Toro
🔗
|
-
|
Unmixing Noise from Hawkes Process to Model Learned Physiological Events
(
Poster
)
>
link
|
Guillaume Staerman · Virginie Loison · Thomas Moreau
🔗
|
-
|
Tail Extrapolation in target-aware conditional molecule generation
(
Poster
)
>
link
|
Weichi Yao · Cameron Gruich · Bryan Goldsmith · Yixin Wang
🔗
|
-
|
Fast-forward FARGO: Accelerating Protoplanetary Disk Simulations with Limited Data
(
Poster
)
>
link
|
Valentina Tardugno Poleo · David W. Hogg · Shirley Ho
🔗
|
-
|
Robust Estimator-guided Neural Network for Data Reconciliation in Process Industries
(
Poster
)
>
link
|
C Lokesh Reddy · Vishnu Masampally · Venkataramana Runkana
🔗
|
-
|
SiBBlInGS: Similarity-driven Building-Block Inference using Graphs across States
(
Poster
)
>
link
|
Noga Mudrik · Gal Mishne · Adam Charles
🔗
|
-
|
Population Transformer: Learning Population-level Representations of Intracranial Activity
(
Poster
)
>
link
|
Geeling Chau · Christopher Wang · Sabera Talukder · Vighnesh Subramaniam · Saraswati Soedarmadji · Yisong Yue · Boris Katz · Andrei Barbu
🔗
|
-
|
Inpainting crystal structure generations with score-based denoising
(
Poster
)
>
link
|
Xinzhe Dai · Peichen Zhong · Bowen Deng · Yifan Chen · Gerbrand Ceder
🔗
|
-
|
Population-level Dark Energy Constraints from Strong Gravitational Lensing using Simulation-Based Inference
(
Poster
)
>
link
|
Sreevani Jarugula · Brian Nord · Abhijith Gandrakota · Aleksandra Ciprijanovic
🔗
|
-
|
Ensemble Guidance: Towards Generative 3D SBDD in Bioactive Chemical Spaces
(
Poster
)
>
link
|
Charles Harris · Arian Jamasb · Pietro Lió · Tom Blundell
🔗
|
-
|
FusionDTI: Fine-grained Binding Discovery with Token-level Fusion for Drug-Target Interaction
(
Poster
)
>
link
|
Zhaohan Meng · Zaiqiao Meng · Iadh Ounis
🔗
|
-
|
Meta-Designing Quantum Experiments with Language Models
(
Poster
)
>
link
|
Sören Arlt · Haonan Duan · Felix Li · Sang Michael Xie · Yuhuai Wu · Mario Krenn
🔗
|
-
|
Robust Learning of Transfer Functions for Single-Cell Transcriptomics Depth Normalization
(
Poster
)
>
link
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Da Kuang · Junhyong Kim
🔗
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-
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Variational and Explanatory Neural Networks for Encoding Cancer Profiles and Predicting Drug Responses
(
Poster
)
>
link
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Tianshu Feng · Rohan Gnanaolivu · Abolfazl Safikhani · Yuanhang Liu · Jun Jiang · Nicholas Chia · Alexander Partin · Priyanka Vasanthakumari · Yitan Zhu · Chen Wang
🔗
|
-
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A Multi-View Mixture-of-Experts based on Language and Graphs for Molecular Properties Prediction
(
Poster
)
>
link
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Victor Yukio Shirasuna · Eduardo Soares · Emilio Vital Brazil · Karen Fiorella Gutierrez · Renato Cerqueira · Seiji Takeda · Akihiro Kishimoto
🔗
|
-
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Task Addition in Multi-Task Learning by Geometrical Alignment
(
Poster
)
>
link
|
Soorin Yim · Dae-Woong Jeong · Sung Moon Ko · Sumin Lee · Hyunseung Kim · Chanhui Lee · Sehui Han
🔗
|
-
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Scaling Automated Quantum Error Correction Discovery with Reinforcement Learning
(
Spotlight
)
>
link
|
Jan Olle · Remmy Zen · Matteo Puviani · Florian Marquardt
🔗
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-
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Thermodynamic Integration with Denoising Diffusion Models
(
Poster
)
>
link
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Balint Mate · Tristan Bereau · François Fleuret
🔗
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-
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Constructing gauge-invariant neural networks for scientific applications
(
Poster
)
>
link
|
Emmanouil Theodosis · Demba Ba · Nima Dehmamy
🔗
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-
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Physics-Informed Weakly Supervised Learning for Interatomic Potentials
(
Poster
)
>
link
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Makoto Takamoto · Viktor Zaverkin · Mathias Niepert
🔗
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-
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Impact4Cast: Forecasting high-impact research topics via machine learning on evolving knowledge graphs
(
Poster
)
>
link
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Xuemei Gu · Mario Krenn
🔗
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-
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Learning Long Timescale in Molecular Dynamics by Nano-GPT
(
Poster
)
>
link
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Yuan Yao · wenqi zeng
🔗
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-
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Parameter Tuning and Modeling of a Rotary Kiln using Physics-Informed Neural Networks
(
Poster
)
>
link
|
Janak Patel · Vishal Jadhav · Anirudh Deodhar · Shirish Karande · Venkataramana Runkana
🔗
|
-
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Scalable Multi-Task Transfer Learning for Molecular Property Prediction
(
Poster
)
>
link
|
Chanhui Lee · Dae-Woong Jeong · Sung Moon Ko · Sumin Lee · Hyunseung Kim · Soorin Yim · Sehui Han · Sungwoong Kim · Sungbin Lim
🔗
|
-
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Knowledge Graph Extraction from Total Synthesis Documents
(
Poster
)
>
link
|
Andres M Bran · Zlatko Jončev · Philippe Schwaller
🔗
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-
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Scaling Up Diffusion and Flow-based XGBoost Models
(
Poster
)
>
link
|
Jesse Cresswell · Taewoo Kim
🔗
|
-
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AdsorbDiff: Adsorbate Placement via Conditional Denoising Diffusion
(
Spotlight
)
>
link
|
Adeesh Kolluru · John Kitchin
🔗
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-
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A Fast Learning-Based Surrogate of Electrical Machines using a Reduced Basis
(
Poster
)
>
link
|
Alejandro Ribes · Nawfal BENCHEKROUN · Théo Delagnes
🔗
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-
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Hurdle conjugate priors for scalable Tucker decomposition
(
Spotlight
)
>
link
|
John Hood · Aaron Schein
🔗
|
-
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Modeling Droplets Dynamics in Emulsions with Graph Neural Networks
(
Poster
)
>
link
|
Giulio Ortali · Federico Toschi · Jan-Willem van de Meent
🔗
|
-
|
UPS: Efficiently Building Foundation Models for PDE Solving via Cross-Modal Adaptation
(
Spotlight
)
>
link
|
Junhong Shen · Tanya Marwah · Ameet Talwalkar
🔗
|
-
|
Exploration and Application of AI in Space Science
(
Poster
)
>
link
|
Xiang Zhao · You Song
🔗
|
-
|
Cell Morphology-Guided Small Molecule Generation with GFlowNets
(
Poster
)
>
link
|
Stephen Lu · Ziqing Lu · Ehsan Hajiramezanali · Tommaso Biancalani · Yoshua Bengio · Gabriele Scalia · Michał Koziarski
🔗
|
-
|
Secondary Structure-Guided Novel Protein Sequence Generation with Latent Graph Diffusion
(
Poster
)
>
link
|
Yutong Hu · Yang Tan · Andi Han · Lirong Zheng · Liang Hong · Bingxin Zhou
🔗
|
-
|
EEG2TEXT: Open Vocabulary EEG-to-Text Decoding with EEG Pre-Training and Multi-View Transformer
(
Poster
)
>
link
|
Hanwen Liu · Daniel Hajialigol · Benny Antony · Aiguo Han · Xuan Wang
🔗
|
-
|
Scalable unsupervised alignment of metric and nonmetric structures
(
Poster
)
>
link
|
Sanketh Vedula · Valentino Maiorca · Lorenzo Basile · Francesco Locatello · Alexander Bronstein
🔗
|
-
|
Variable Star Light Curves in Koopman Space
(
Spotlight
)
>
link
|
Mario Pasquato · Gaia Carenini · Nicolas Mekhaël · Vittorio Francesco Braga · Piero Trevisan · Giuseppe Bono · Yashar Hezaveh
🔗
|
-
|
Fourier Neural Operator based surrogates for $\textrm{CO}_2$ storage in realistic geologies
(
Poster
)
>
link
|
12 presenters
Anirban Chandra · Marius Koch · Suraj Pawar · Aniruddha Panda · Kamyar Azizzadenesheli · Jeroen Snippe · Faruk Alpak · Farah Hariri · Clement Etienam · Pandu Devarakota · Anima Anandkumar · Detlef Hohl
🔗
|
-
|
Efficient 3D Molecular Generation with Flow Matching and Scale Optimal Transport
(
Spotlight
)
>
link
|
Ross Irwin · Alessandro Tibo · Jon Paul Janet · Simon Olsson
🔗
|
-
|
Cross-modality Matching and Prediction of Perturbation Responses with Labeled Gromov-Wasserstein Optimal Transport
(
Oral
)
>
link
|
Jayoung Ryu · Romain Lopez · Charlotte Bunne · Luca Pinello · Aviv Regev
🔗
|
-
|
Swallowing the Bitter Pill: Simplified Scalable Conformer Generation
(
Spotlight
)
>
link
|
Yuyang Wang · Ahmed Elhag · Navdeep Jaitly · Joshua M Susskind · Miguel Angel Bautista Martin
🔗
|
-
|
Multi-task Extension of Geometrically Aligned Transfer Encoder
(
Poster
)
>
link
|
Sung Moon Ko · Sumin Lee · Dae-Woong Jeong · Hyunseung Kim · Chanhui Lee · Soorin Yim · Sehui Han
🔗
|
-
|
PINNACLE: PINN Adaptive ColLocation and Experimental points selection
(
Oral
)
>
link
|
Gregory Kang Ruey Lau · Apivich Hemachandra · See-Kiong Ng · Bryan Kian Hsiang Low
🔗
|
-
|
MSAGPT: Neural Prompting Protein Structure Prediction via MSA Generative Pre-Training
(
Poster
)
>
link
|
Bo Chen · Zhilei Bei · Xingyi Cheng · Pan Li · Jie Tang · Le Song
🔗
|
-
|
Enhancing Peak Assignment in CNMR Spectroscopy: A Novel Approach Using Multimodal Alignment
(
Oral
)
>
link
|
Hao Xu · Zhengyang Zhou · Pengyu Hong
🔗
|
-
|
Physics-Informed Neural Networks for Derivative-Constrained PDEs
(
Poster
)
>
link
|
Kentaro Hoshisashi · Carolyn Phelan · Paolo Barucca
🔗
|
-
|
Classification of freshwater snails of the genus Radomaniola with multimodal triplet networks
(
Spotlight
)
>
link
|
Dennis Vetter · Muhammad Ahsan · Diana Delicado · Thomas Neubauer · Thomas Wilke · Gemma Roig
🔗
|
-
|
TriageAgent: Towards Better Multi-Agents Collaborations for Large Language Model-Based Clinical Triage
(
Spotlight
)
>
link
|
Meng Lu · Brandon Ho · Ren Dennis · Xuan Wang
🔗
|
-
|
EquiTorch: A Modularized Package for Flexibly Constructing Equivariant GNNs Building upon Pytorch-Geometric
(
Poster
)
>
link
|
Tong Wang · Chuan Chen
🔗
|
-
|
Exploring Neural Scaling Laws in Molecular Pretraining with Synthetic Tasks
(
Poster
)
>
link
|
Rodrigo S. Hormazabal · Seung Woo Ko · Inwan Yoo · Sehui Han · Paul Bertens
🔗
|
-
|
Uncertainty-aware Surrogate Models for Airfoil Flow Simulations with Denoising Diffusion Probabilistic Models
(
Spotlight
)
>
link
|
Qiang Liu · Nils Thuerey
🔗
|
-
|
DiffusionPDE: Generative PDE-Solving Under Partial Observation
(
Oral
)
>
link
|
Jiahe Huang · Guandao Yang · Zichen Wang · Jeong Joon Park
🔗
|
-
|
ScaLES: Scalable Latent Exploration Score for Pre-Trained Generative Networks
(
Poster
)
>
link
|
Omer Ronen · Ahmed Imtiaz Humayun · Randall Balestriero · Richard Baraniuk · Bin Yu
🔗
|
-
|
3D Reconstruction of Dark Matter Fields with Diffusion Models: Towards Application to Galaxy Surveys
(
Poster
)
>
link
|
Core Francisco Park · Nayantara Mudur · Carolina Cuesta · Yueying Ni · Victoria Ono · Douglas Finkbeiner
🔗
|
-
|
An Advanced Physics-Informed Neural Operator for Comprehensive Design Optimization of Highly-Nonlinear Systems: An Aerospace Composites Processing Case Study
(
Poster
)
>
link
|
Milad Ramezankhani · Anirudh Deodhar · Rishi Parekh · Dagnachew Birru
🔗
|
-
|
Learning cure kinetics of frontal polymerization PDEs using differentiable simulations
(
Poster
)
>
link
|
Pengfei Cai · Qibang Liu · Philippe Geubelle · Rafael Gomez-Bombarelli
🔗
|
-
|
NCIDiff: Non-covalent Interaction-generative Diffusion Model for Improving Reliability of 3D Molecule Generation Inside Protein Pocket
(
Poster
)
>
link
|
Joongwon Lee · Wonho Zhung · Woo Youn Kim
🔗
|
-
|
Parameter-Efficient Quantized Mixture-of-Experts Meets Vision-Language Instruction Tuning for Semiconductor Electron Micrograph Analysis
(
Spotlight
)
>
link
|
Sagar Srinivas Sakhinana · Sannidhi Geethan · Chidaksh Ravuru · Venkataramana Runkana
🔗
|
-
|
Grappa - A Machine Learned Molecular Mechanics Force Field
(
Poster
)
>
link
|
Leif Seute · Eric Hartmann · Jan Stuehmer · Frauke Gräter
🔗
|
-
|
Benchmarking Autoregressive Conditional Diffusion Models for Turbulent Flow Simulation
(
Poster
)
>
link
|
Georg Kohl · Liwei Chen · Nils Thuerey
🔗
|
-
|
Towards Reliable Uncertainty Estimates for Drug Discovery: A Large-scale Temporal Study of Probability Calibration
(
Poster
)
>
link
|
Hannah Friesacher · Emma Svensson · Adam Arany · Lewis Mervin · Ola Engkvist
🔗
|
-
|
Spectrum-Informed Initialization for Multistage Neural Networks
(
Poster
)
>
link
|
Jakin Ng · Yongji Wang · Ching-Yao Lai
🔗
|
-
|
Marrying Causal Representation Learning with Dynamical Systems for Science
(
Poster
)
>
link
|
Dingling Yao · Caroline Muller · Francesco Locatello
🔗
|
-
|
Structure-based Drug Design Benchmark: Do 3D Methods Really Dominate?
(
Poster
)
>
link
|
Kangyu Zheng · Yingzhou Lu · Zaixi Zhang · Zhongwei Wan · Yao Ma · Marinka Zitnik · Tianfan Fu
🔗
|
-
|
Equivariant Neural Diffusion for Molecule Generation
(
Poster
)
>
link
|
François Cornet · Grigory Bartosh · Mikkel Schmidt · Christian Andersson Naesseth
🔗
|
-
|
Language Models as Tools for Research Synthesis and Evaluation
(
Poster
)
>
link
|
Robin Na · Abdullah Almaatouq
🔗
|
-
|
Symbolic Regression with a Learned Concept Library
(
Poster
)
>
link
|
Arya Grayeli · Atharva Sehgal · Omar Costilla Reyes · Miles Cranmer · Swarat Chaudhuri
🔗
|
-
|
Quantum circuit synthesis with diffusion models
(
Poster
)
>
link
|
Florian Fürruter · Gorka Muñoz-Gil · Hans Briegel
🔗
|
-
|
The Scaling Law in Astronomical Time Series Data
(
Poster
)
>
link
|
Jiashu Pan · Yuan-Sen Ting · Jie Yu · Yang Huang · Ji-Feng Liu
🔗
|
-
|
Enhancing Protein Design Robustness through Noise-Informed Sequence Design
(
Poster
)
>
link
|
Yehlin Cho · Sergey Ovchinnikov · Christopher Frank
🔗
|
-
|
CodonMPNN for Organism Specific and Codon Optimal Inverse Folding
(
Poster
)
>
link
|
Hannes Stärk · Umesh Padia · Julia Balla · Cameron Diao
🔗
|
-
|
Non-Differentiable Diffusion Guidance for Improved Molecular Geometry
(
Poster
)
>
link
|
Yuchen Shen · Chenhao Zhang · Chenghui Zhou · Sijie Fu · Newell Washburn · Barnabás Póczos
🔗
|
-
|
Reinforcement Learning for Efficient Design and Control Co-optimisation of Energy Systems
(
Poster
)
>
link
|
Marine Cauz · Adrien Bolland · Christophe Ballif · Nicolas Wyrsch
🔗
|