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Workshop/AI4Science
https://openreview.net/forum?id=wUCulO2kKX
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Scalable Particle Generation for Granular Shape Study
[ "Yifeng Zhao", "Jinxin Liu", "Xiangbo Gao", "Sergio Torres", "Stan Z. Li" ]
Workshop/AI4Science
https://openreview.net/forum?id=wEhqPfs22C
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
AdsGT: Graph Transformer for Predicting Global Minimum Adsorption Energy
[ "Junwu Chen", "Xu Huang", "Cheng Hua", "Yulian He", "Philippe Schwaller" ]
Workshop/AI4Science
https://openreview.net/forum?id=w90SAEcUP7
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Generation of 3D Realistic Soil Particles with Metaball Descriptor
[ "Yifeng Zhao", "Jinxin Liu", "xiangbo gao", "Pei Zhang", "Stan Z. Li", "Sergio Andres Galindo Torres" ]
Workshop/AI4Science
https://openreview.net/forum?id=tuXhnv6pgo
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Using the Transformer Model for Physical Simulation: An application on Transient Thermal Analysis for 3D Printing Process Simulation
[ "Qian Chen", "Luyang Kong", "Florian Dugast", "Albert To" ]
Workshop/AI4Science
https://openreview.net/forum?id=sdmFiPijqC
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Extracting Nonlinear Symmetries From Trained Neural Networks on Dynamics Data
[ "Yoh-ichi Mototake" ]
Workshop/AI4Science
https://openreview.net/forum?id=sXRpvW3cRR
oral
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Modelling single-cell RNA-seq trajectories on a flat statistical manifold
[ "Alessandro Palma", "Sergei Rybakov", "Leon Hetzel", "Fabian J Theis" ]
Workshop/AI4Science
https://openreview.net/forum?id=ros8ISUn7Y
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Scalable Deep Potentials as Implicit Hierarchical Semi-Separable Operators
[ "Michael Poli", "Stefano Massaroli", "Christopher Re", "Stefano Ermon" ]
Workshop/AI4Science
https://openreview.net/forum?id=rdgB5BqWCw
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Predictive Uncertainty Quantification for Graph Neural Network Driven Relaxed Energy Calculations
[ "Joseph Musielewicz", "Janice Lan", "Matt Uyttendaele" ]
Workshop/AI4Science
https://openreview.net/forum?id=r3fzEWnaY4
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
GFN-SR: Symbolic Regression with Generative Flow Networks
[ "Sida Li", "Ioana Marinescu", "Sebastian Musslick" ]
Workshop/AI4Science
https://openreview.net/forum?id=pwYCCq4xAf
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
DynamicsDiffusion: Generating and Rare Event Sampling of Molecular Dynamic Trajectories Using Diffusion Models
[ "Magnus Petersen", "Gemma Roig", "Roberto Covino" ]
Workshop/AI4Science
https://openreview.net/forum?id=pO9lPxF8YA
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Bi-level Graphs for Cellular Pattern Discovery
[ "Zhenzhen Wang", "Aleksander S. Popel", "Jeremias Sulam" ]
Workshop/AI4Science
https://openreview.net/forum?id=oRP132De46
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Retro-fallback: retrosynthetic planning in an uncertain world
[ "Austin Tripp", "Krzysztof Maziarz", "Sarah Lewis", "Marwin Segler", "José Miguel Hernández-Lobato" ]
Workshop/AI4Science
https://openreview.net/forum?id=oIMhS5n0Qz
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
A Framework for Toxic PFAS Replacement based on GFlowNet and Chemical Foundation Model
[ "Eduardo Soares", "Flaviu Cipcigan", "Dmitry Zubarev", "Emilio Vital Brazil" ]
Workshop/AI4Science
https://openreview.net/forum?id=mn3wfSnWYG
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Fast and Scalable Inference of Dynamical Systems via Integral Matching
[ "Baptiste T Rossi", "Dimitris Bertsimas" ]
Workshop/AI4Science
https://openreview.net/forum?id=maH0RApBap
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
MOFDiff: Coarse-grained Diffusion for Metal-Organic Framework Design
[ "Xiang Fu", "Tian Xie", "Andrew Scott Rosen", "Tommi Jaakkola", "Jake Allen Smith" ]
Workshop/AI4Science
https://openreview.net/forum?id=mUQrw0rIZN
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Rapid Prediction of Two-Dimensional Airflow in an Operating Room using Scientific Machine Learning
[ "Gary Lynn Collins", "Alexander New", "Ryan A. Darragh", "Brian E. Damit", "Christopher D. Stiles" ]
Workshop/AI4Science
https://openreview.net/forum?id=mJQHG9dGKe
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Latent Task-Specific Graph Network Simulators
[ "Philipp Dahlinger", "Niklas Freymuth", "Tai Hoang", "Michael Volpp", "Gerhard Neumann" ]
Workshop/AI4Science
https://openreview.net/forum?id=mISayy7DPI
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Citation-Similarity Relationships in Astrophysics Literature
[ "Nathaniel Imel", "Zachary Hafen" ]
Workshop/AI4Science
https://openreview.net/forum?id=kZQ0iFqhEQ
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Electron-Derived Molecular Representation Learning for Real-World Molecular Physics
[ "Gyoung S. Na", "Chanyoung Park" ]
Workshop/AI4Science
https://openreview.net/forum?id=kSqEwvApQy
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Coupling Semi-supervised Learning with Reinforcement Learning for Better Decision Making — An application to Cryo-EM Data Collection
[ "Ziping Xu", "Quanfu Fan", "Yilai Li", "Emma Rose Lee", "John Maxwell Cohn", "Ambuj Tewari", "Seychelle M Vos", "Michael Cianfrocco" ]
Workshop/AI4Science
https://openreview.net/forum?id=iazHKyT4YK
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Optimizing Markov Chain Monte Carlo Convergence with Normalizing Flows and Gibbs Sampling
[ "Christoph Schönle", "Marylou Gabrié" ]
Workshop/AI4Science
https://openreview.net/forum?id=iJfPFUvFfy
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Latent Neural PDE Solver for Time-dependent Systems
[ "Zijie Li", "Saurabh Patil", "Dule Shu", "Amir Barati Farimani" ]
Workshop/AI4Science
https://openreview.net/forum?id=i7jjLwOOQm
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Learning Temporal Higher-order Patterns to Detect Anomalous Brain Activity
[ "Ali Behrouz", "Farnoosh Hashemi" ]
Workshop/AI4Science
https://openreview.net/forum?id=i3PecpoiPG
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Expression Sampler as a Dynamic Benchmark for Symbolic Regression
[ "Ioana Marinescu", "Younes Strittmatter", "Chad C Williams", "Sebastian Musslick" ]
Workshop/AI4Science
https://openreview.net/forum?id=hSmn7BQZ2v
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
What a Scientific Language Model Knows and Doesn't Know about Chemistry
[ "Lawrence Zhao", "Carl Edwards", "Heng Ji" ]
Workshop/AI4Science
https://openreview.net/forum?id=h9HuWcDJ6C
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Beyond MD17: The xxMD Dataset as a Chemically Meaningful Benchmark for Neural Force Fields Development
[ "Zihan Pengmei", "Junyu Liu", "Yinan Shu" ]
Workshop/AI4Science
https://openreview.net/forum?id=fhCSDMkrFr
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Contrasting Sequence with Structure: Pre-training Graph Representations with PLMs
[ "Louis Robinson", "Timothy Atkinson", "Liviu Copoiu", "Patrick Bordes", "Thomas PIERROT", "Thomas D Barrett" ]
Workshop/AI4Science
https://openreview.net/forum?id=fEoemPDicz
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Text2Decision: Decoding Latent Variables in Risky Decision Making from Think Aloud Text
[ "Hanbo Xie", "Huadong Xiong", "Robert C. Wilson" ]
Workshop/AI4Science
https://openreview.net/forum?id=eYsiIYAXXj
oral
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Reinforcement Learning-Enabled Environmentally Friendly and Multi-functional Chrome-looking Plating
[ "Taigao Ma", "Anwesha Saha", "L. Jay Guo", "Haozhu Wang" ]
Workshop/AI4Science
https://openreview.net/forum?id=dz3O7M1QzA
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
CHARM: Creating Halos with Auto-Regressive Multi-stage networks
[ "Shivam Pandey", "Chirag Modi", "Benjamin Dan Wandelt", "Guilhem Lavaux" ]
Workshop/AI4Science
https://openreview.net/forum?id=cOup1wKAfq
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Unleashing the Autoconversion Rates Forecasting: Evidential Regression from Satellite Data
[ "Maria Carolina Novitasari", "Johannes Quaas", "Miguel R. D. Rodrigues" ]
Workshop/AI4Science
https://openreview.net/forum?id=bx2vpeOUSO
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Immunology Meets Artificial Intelligence: Expanding Our Scientific Toolbox
[ "Van Truong", "Matthew Lee", "Dokyoon Kim", "John Wherry", "Marylyn Ritchie" ]
Workshop/AI4Science
https://openreview.net/forum?id=bfD3Fzy7Mb
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
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" ]
Workshop/AI4Science
https://openreview.net/forum?id=Zt35qMfDTp
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
AstroCLIP: Cross-Modal Pre-Training for Astronomical Foundation Models
[ "Francois Lanusse", "Liam Holden Parker", "Siavash Golkar", "Alberto Bietti", "Miles Cranmer", "Michael Eickenberg", "Geraud Krawezik", "Michael McCabe", "Ruben Ohana", "Mariel Pettee", "Bruno Régaldo-Saint Blancard", "Tiberiu Tesileanu", "Kyunghyun Cho", "Shirley Ho" ]
Workshop/AI4Science
https://openreview.net/forum?id=Zh5heSS5dc
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Modelling biology in novel ways - an AI-first course in Structural Bioinformatics
[ "Kieran Didi", "Charles Harris", "Pietro Lio", "Rainer Beck" ]
Workshop/AI4Science
https://openreview.net/forum?id=ZUkrNwMz5J
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
ChemGymRL: An Interactive Framework for Reinforcement Learning for Digital Chemistry
[ "Chris Beeler", "Sriram Ganapathi Subramanian", "Kyle Sprague", "Colin Bellinger", "Mark Crowley", "Isaac Tamblyn" ]
Workshop/AI4Science
https://openreview.net/forum?id=YbFPAaY4hh
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
ExPT: Synthetic Pretraining for Few-Shot Experimental Design
[ "Tung Nguyen", "Sudhanshu Agrawal", "Aditya Grover" ]
Workshop/AI4Science
https://openreview.net/forum?id=Y7et3Ow02l
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Self-supervised Learning to Discover Physical Objects and Predict Their Interactions from Raw Videos
[ "Sheng Cheng", "Yezhou Yang", "Yang Jiao", "Yi Ren" ]
Workshop/AI4Science
https://openreview.net/forum?id=XIxcglPy9c
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Latent Space Simulator for Unveiling Molecular Free Energy Landscapes and Predicting Transition Dynamics
[ "Simon Dobers", "Hannes Stark", "Xiang Fu", "Dominique Beaini", "Stephan Günnemann" ]
Workshop/AI4Science
https://openreview.net/forum?id=XHFfvzlQ1n
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Bayesian Machine Scientist for Model Discovery in Psychology
[ "Joshua Tomas Sealth Hewson", "Younes Strittmatter", "Ioana Marinescu", "Chad C Williams", "Sebastian Musslick" ]
Workshop/AI4Science
https://openreview.net/forum?id=WhZrevX2ce
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Representing Core-collapse Supernova Light Curves Analytically with Symbolic Regression
[ "Kaylee de Soto", "V. Ashley Villar" ]
Workshop/AI4Science
https://openreview.net/forum?id=UyzfFpoX4K
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Learning Scalar Fields for Molecular Docking with Fast Fourier Transforms
[ "Bowen Jing", "Tommi Jaakkola", "Bonnie Berger" ]
Workshop/AI4Science
https://openreview.net/forum?id=Trha4S47t6
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Hypothesis Tests for Distributional Group Symmetry with Applications to Particle Physics
[ "Kenny Chiu", "Benjamin Bloem-Reddy" ]
Workshop/AI4Science
https://openreview.net/forum?id=TScjG5zoB0
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Unveiling the Secrets of ^1H-NMR Spectroscopy: A Novel Approach Utilizing Attention Mechanisms
[ "Oliver Schilter", "Marvin Alberts", "Federico Zipoli", "Alain C. Vaucher", "Philippe Schwaller", "Teodoro Laino" ]
Workshop/AI4Science
https://openreview.net/forum?id=SskZeP3Mzz
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Vertical AI-driven Scientific Discovery
[ "Yexiang Xue" ]
Workshop/AI4Science
https://openreview.net/forum?id=SV6mT8iSFP
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Scalable Multimer Structure Prediction using Diffusion Models
[ "Peter Pao-Huang", "Bowen Jing", "Bonnie Berger" ]
Workshop/AI4Science
https://openreview.net/forum?id=S6k4h5dkEg
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
ComboPath: A model for predicting drug combination effects
[ "Duminda S Ranasinghe", "Nathan Sanders", "Hok Hei Tam", "Changchang Liu", "Dan Spitz" ]
Workshop/AI4Science
https://openreview.net/forum?id=R8FQMsECIS
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
ORDerly: Datasets and benchmarks for chemical reaction data
[ "Daniel Wigh", "Joe Arrowsmith", "Alexander Pomberger", "Kobi Felton", "Alexei Lapkin" ]
Workshop/AI4Science
https://openreview.net/forum?id=R0Jbsytvhw
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Stochastic force inference via density estimation
[ "Victor Chardès", "Suryanarayana Maddu", "Michael J. Shelley" ]
Workshop/AI4Science
https://openreview.net/forum?id=PfpbWuC0Yk
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Mitigating Bias in Scientific Data: A Materials Science Case Study
[ "Hengrui Zhang", "Wei Chen", "James Rondinelli", "Wei Chen" ]
Workshop/AI4Science
https://openreview.net/forum?id=PVOhNEqO72
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Mapping the intermolecular interaction universe through self-supervised learning on molecular crystals
[ "Ada Fang", "ZAIXI ZHANG", "Marinka Zitnik" ]
Workshop/AI4Science
https://openreview.net/forum?id=PNM9mojudC
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
ATAT: Automated Tissue Alignment and Traversal
[ "Steven Song", "Emaan Mohsin", "Andrey Kuznetsov", "Christopher Weber", "Robert L. Grossman", "Aly A Khan" ]
Workshop/AI4Science
https://openreview.net/forum?id=OQXCc21rgM
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Van der Pol-informed Neural Networks for Multi-step-ahead Forecasting of Extreme Climatic Events
[ "Anurag Dutta", "Madhurima Panja", "Uttam Kumar", "Chittaranjan Hens", "Tanujit Chakraborty" ]
Workshop/AI4Science
https://openreview.net/forum?id=MhHWPUazY4
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Infusing Spatial Knowledge into Deep Learning for Earth Science: A Hydrological Application
[ "Zelin Xu", "Tingsong Xiao", "Wenchong He", "Yu Wang", "Zhe Jiang" ]
Workshop/AI4Science
https://openreview.net/forum?id=KMtM5ZHxct
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
scCLIP: Multi-modal Single-cell Contrastive Learning Integration Pre-training
[ "Lei Xiong", "Tianlong Chen", "Manolis Kellis" ]
Workshop/AI4Science
https://openreview.net/forum?id=J8HGMimNYe
oral
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
XLuminA: An Auto-differentiating Discovery Framework for Super-Resolution Microscopy
[ "Carla Rodríguez", "Sören Arlt", "Leonhard Möckl", "Mario Krenn" ]
Workshop/AI4Science
https://openreview.net/forum?id=IxyMZngWen
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Latent Diffusion Model for DNA Sequence Generation
[ "Zehui Li", "Yuhao Ni", "Tim August B. Huygelen", "Akashaditya Das", "Guoxuan Xia", "Guy-Bart Stan", "Yiren Zhao" ]
Workshop/AI4Science
https://openreview.net/forum?id=Il8mRcEiRq
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Exploring the applications of Neural Cellular Automata in molecular sciences
[ "Sebastian Pagel", "Leroy Cronin" ]
Workshop/AI4Science
https://openreview.net/forum?id=IaUDEYN48p
oral
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Koopman-Assisted Reinforcement Learning
[ "Preston Rozwood", "Edward Mehrez", "Ludger Paehler", "Wen Sun", "Steven Brunton" ]
Workshop/AI4Science
https://openreview.net/forum?id=IYSljK0uEw
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Automated distillation of genomic equations governing single cell gene expression
[ "Edouardo Honig", "Frederique Ruf-Zamojski", "Stuart Sealfon", "Ying Nian Wu", "Zijun Frank Zhang" ]
Workshop/AI4Science
https://openreview.net/forum?id=HrUsm9Rorj
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Adaptive learning acceleration for nonlinear PDE solvers
[ "Vinicius Luiz Santos Silva", "Pablo Salinas", "Claire E Heaney", "Matthew Jackson", "Christopher Charles Pain" ]
Workshop/AI4Science
https://openreview.net/forum?id=HSvg7qFFd2
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Unsupervised Representation Learning of Brain Activity via Bridging Voxel Activity and Functional Connectivity
[ "Ali Behrouz", "Parsa Delavari", "Farnoosh Hashemi" ]
Workshop/AI4Science
https://openreview.net/forum?id=H98ZQrAUKD
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Representation Learning for Spatial Multimodal Data Integration with Optimal Transport
[ "Xinhao Liu", "Benjamin Raphael" ]
Workshop/AI4Science
https://openreview.net/forum?id=F7hIk2Bw6X
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
ALAS: Active Learning for Autoconversion Rates Prediction from Satellite Data
[ "Maria Carolina Novitasari", "Johannes Quaas", "Miguel R. D. Rodrigues" ]
Workshop/AI4Science
https://openreview.net/forum?id=EYEuvuu0Ky
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Language Models in Molecular Discovery
[ "Nikita Janakarajan", "Tim Erdmann", "Sarathkrishna Swaminathan", "Teodoro Laino", "Jannis Born" ]
Workshop/AI4Science
https://openreview.net/forum?id=EHblk6xzHe
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Virtual Receptors for Efficient Molecular Diffusion
[ "Matan Halfon", "Eyal Rozenberg", "Ehud Rivlin", "Daniel Freedman" ]
Workshop/AI4Science
https://openreview.net/forum?id=E1khscdUdH
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Insight Miner: A Time Series Analysis Dataset for Cross-Domain Alignment with Natural Language
[ "Yunkai Zhang", "Yawen Zhang", "Ming Zheng", "Kezhen Chen", "Chongyang Gao", "Ruian Ge", "Siyuan Teng", "Amine Jelloul", "Jinmeng Rao", "Xiaoyuan Guo", "Chiang-Wei Fang", "Zeyu Zheng", "Jie Yang" ]
Workshop/AI4Science
https://openreview.net/forum?id=D1OcdXlFcL
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Exciton-Polariton Condensates: A Fourier Neural Operator Approach
[ "Surya Teja Sathujoda", "Yuan Wang", "Kanishk Gandhi" ]
Workshop/AI4Science
https://openreview.net/forum?id=CllNd4XWVF
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
AI, Robot Neuroscientist: Reimagining Hypothesis Generation
[ "Jiaqi Shang", "Will Xiao" ]
Workshop/AI4Science
https://openreview.net/forum?id=BybTciafUJ
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Shape Arithmetic Expressions
[ "Krzysztof Kacprzyk", "Mihaela van der Schaar" ]
Workshop/AI4Science
https://openreview.net/forum?id=B8EpSHEp9j
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Relaxed Octahedral Group Convolution for Learning Symmetry Breaking in 3D Physical Systems
[ "Rui Wang", "Robin Walters", "Tess Smidt" ]
Workshop/AI4Science
https://openreview.net/forum?id=Ap4rSgB3O1
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Higher Order Equivariant Graph Neural Networks for Charge Density Prediction
[ "Teddy Koker", "Keegan Quigley", "Lin Li" ]
Workshop/AI4Science
https://openreview.net/forum?id=AS5AZ5L8zk
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
ChatPathway: Conversational Large Language Models for Biology Pathway Detection
[ "Yanjing Li", "Hannan Xu", "Haiteng Zhao", "Hongyu Guo", "Shengchao Liu" ]
Workshop/AI4Science
https://openreview.net/forum?id=A28gzFJd28
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Using Foundation Models to Promote Digitization and Reproducibility in Scientific Experimentation
[ "Amol Thakkar", "Andrea Giovannini", "Antonio Foncubierta", "Carlo Baldassari", "Dimitrios Christofidellis", "Federico Zipoli", "Gianmarco Gabrieli", "Jannis Born", "Mara Graziani", "Marvin Alberts", "Matteo Manica", "Michael Stiefel", "Oliver Schilter", "Teodoro Laino", "Patrick W. Ruch" ]
Workshop/AI4Science
https://openreview.net/forum?id=9Z4XZOhwiz
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Bad Exoplanet! Explaining Degraded Performance when Reconstructing Exoplanets Atmospheric Parameters
[ "Alkis Koudounas", "Flavio Giobergia", "Elena Baralis" ]
Workshop/AI4Science
https://openreview.net/forum?id=82brfaM02h
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
XBrainLab: An Open-Source Software for Explainable Artificial Intelligence-Based EEG Analysis
[ "Chia-Ying Hsieh", "Jing-Lun Chou", "Yu-Hsin Chang", "Chun-Shu Wei" ]
Workshop/AI4Science
https://openreview.net/forum?id=7DULB2GfkG
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Learning Inter-Graph Interactions Between Heterogeneous Substructures of Chemical Systems
[ "Gyoung S. Na" ]
Workshop/AI4Science
https://openreview.net/forum?id=5ueXRkKMMg
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Compositional Generative Inverse Design
[ "Tailin Wu", "Takashi Maruyama", "Long Wei", "Tao Zhang", "Yilun Du", "Gianluca Iaccarino", "Jure Leskovec" ]
Workshop/AI4Science
https://openreview.net/forum?id=4ePJjCP14u
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Rethinking Bayesian Optimization with Gaussian Processes: Insights from Hyperspectral Trait Search
[ "Ruhana Azam", "Samuel B Fernandes", "Andrew D.B. Leakey", "Alexander Lipka", "Mohammed Kebir", "Sanmi Koyejo" ]
Workshop/AI4Science
https://openreview.net/forum?id=4c4ArnOcBe
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
PreDiff: Precipitation Nowcasting with Latent Diffusion Models
[ "Zhihan Gao", "Xingjian Shi", "Boran Han", "Hao Wang", "Xiaoyong Jin", "Danielle C. Maddix", "Yi Zhu", "Mu Li", "Bernie Wang" ]
Workshop/AI4Science
https://openreview.net/forum?id=4S3gmowKOr
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Explaining Drug Repositioning: A Case-Based Reasoning Graph Neural Network Approach
[ "Adriana Carolina Gonzalez Cavazos", "Roger Tu", "Meghamala Sinha", "Andrew Su" ]
Workshop/AI4Science
https://openreview.net/forum?id=3awrGYl7YD
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
AI Ethics Education for Scientists
[ "Savannah Jennifer Thais" ]
Workshop/AI4Science
https://openreview.net/forum?id=3WF88uMjGz
oral
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Harmonic Prior Self-conditioned Flow Matching for Multi-Ligand Docking and Binding Site Design
[ "Hannes Stark", "Bowen Jing", "Regina Barzilay", "Tommi Jaakkola" ]
Workshop/AI4Science
https://openreview.net/forum?id=3Cg94Z1RZj
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Modelling Microbial Communities with Graph Neural Networks
[ "Albane Ruaud", "Cansu Sancaktar", "Marco Bagatella", "Christoph Ratzke", "Georg Martius" ]
Workshop/AI4Science
https://openreview.net/forum?id=2vernsvOi2
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Towards out-of-distribution generalizable predictions of chemical kinetic properties
[ "Zihao Wang", "Yongqiang Chen", "Yang Duan", "Weijiang Li", "Bo Han", "James Cheng", "Hanghang Tong" ]
Workshop/AI4Science
https://openreview.net/forum?id=2mq6uezuGj
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Single-cell Masked Autoencoder: An Accurate and Interpretable Automated Immunophenotyper
[ "Jaesik Kim", "Matei Ionita", "Matthew Eric Lee", "Michelle McKeague", "Ajinkya Pattekar", "Mark Painter", "Joost Wagenaar", "Van Quynh-Thi Truong", "Dylan Norton", "Divij Mathew", "Yonghyun Nam", "Sokratis Apostolidis", "Patryk Orzechowski", "Sang-Hyuk Jung", "Jakob Woerner", "Yidi Huang", "Nuala J. Meyer", "Allison R. Greenplate", "Dokyoon Kim", "John Wherry" ]
Workshop/AI4Science
https://openreview.net/forum?id=2QMmoG1UCQ
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
AI Framework for Generative Design of Computational Experiments with Structures in Physical Environment
[ "Gleb Vitalevich Solovev", "Anna Kalyuzhnaya", "Alexander Hvatov", "Nikita Starodubcev", "Oleg Petrov", "Nikolay Nikitin" ]
Workshop/AI4Science
https://openreview.net/forum?id=28w0bjBQiw
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Machine Learning for Blockchain: Literature Review and Open Research Questions
[ "Luyao Zhang" ]
Workshop/AI4Science
https://openreview.net/forum?id=0zOMy0JE4B
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Sample-efficient Antibody Design through Protein Language Model for Risk-aware Batch Bayesian Optimization
[ "Yanzheng Wang", "Boyue wang", "TIANYU SHI", "Jie Fu", "Yi Zhou", "zhizhuo zhang" ]
Workshop/AI4Science
https://openreview.net/forum?id=0ipxdwZmFR
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Easy to learn hard to master - how to solve an arbitrary equation with PINN
[ "Alexander Hvatov", "Damir Aminev", "Nikita Demyanchuk" ]
Workshop/DGM4H
https://openreview.net/forum?id=z4BgPtgEsS
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Lesion in-and-out painting for medical image augmentation
[ "Yisak Kim", "Kyungmin Jeon", "Soyeon Kim", "Chang Min Park" ]
Workshop/DGM4H
https://openreview.net/forum?id=wsFCbuDwxY
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Clinical Time Series Imputation using Conditional Information Bottleneck
[ "MinGyu Choi", "Changhee Lee" ]
Workshop/DGM4H
https://openreview.net/forum?id=uowg2Iz5eJ
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
flowVI: Flow Cytometry Variational Inference
[ "Kemal Inecik", "Adil Meric", "Fabian J Theis" ]
Workshop/DGM4H
https://openreview.net/forum?id=um0kSuayWn
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
A GAN Model with Controllable Lesion Generation for Synthetic Capsule Endoscopy Datasets
[ "Hyundong Choi", "Heechul Jung" ]
Workshop/DGM4H
https://openreview.net/forum?id=tiqs7trqcC
oral
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Generative Time Series Models with Interpretable Latent Processes for Complex Disease Trajectories
[ "Cécile Trottet", "Manuel Schürch", "Amina Mollaysa", "Ahmed Allam", "Michael Krauthammer" ]
Workshop/DGM4H
https://openreview.net/forum?id=r7qL5vM3Aa
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Federated learning for causal inference using deep generative disentangled models
[ "Alejandro Almodóvar", "Juan Parras", "Santiago Zazo" ]
Workshop/DGM4H
https://openreview.net/forum?id=qV1sBPrfRL
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
CHIRon: A Generative Foundation Model for Structured Sequential Medical Data
[ "Brian L. Hill", "Melikasadat Emami", "Vijay S Nori", "Aldo Cordova-Palomera", "Robert E. Tillman", "Eran Halperin" ]
Workshop/DGM4H
https://openreview.net/forum?id=q53lpM5KEg
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Mapping and Diagnosing Augmented Whole Slide Image Datasets with Training Dynamics
[ "Wenqi Shi", "Benoit Louis Marteau", "May Dongmei Wang" ]
Workshop/DGM4H
https://openreview.net/forum?id=mDwURmlapW
oral
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
Synthetic Sleep EEG Signal Generation using Latent Diffusion Models
[ "Bruno Aristimunha", "Raphael Yokoingawa de Camargo", "Sylvain Chevallier", "Oeslle Lucena", "Adam G Thomas", "M. Jorge Cardoso", "Walter Hugo Lopez Pinaya", "Jessica Dafflon" ]
Workshop/DGM4H
https://openreview.net/forum?id=khB5CQidql
poster
NeurIPS2023
null
null
null
null
null
null
null
null
null
NaT
mmNormVAE: Normative Modeling on Multimodal Neuroimaging Data using Variational Autoencoders
[ "Sayantan Kumar", "Philip Payne", "Aristeidis Sotiras" ]