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NeurIPS2024
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NaT
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[
"Eungyeup Kim",
"Mingjie Sun",
"Aditi Raghunathan",
"J Zico Kolter"
] |
Reliable Test-Time Adaptation via Agreement-on-the-Line
| null |
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https://openreview.net/forum?id=ecufIfDNn0
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NeurIPS2024
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NaT
| null |
[
"Jacob Eisenstein",
"Jonathan Berant",
"Chirag Nagpal",
"Alekh Agarwal",
"Ahmad Beirami",
"Alexander Nicholas D'Amour",
"Krishnamurthy Dj Dvijotham",
"Katherine A Heller",
"Stephen Robert Pfohl",
"Deepak Ramachandran"
] |
Reward Model Underspecification in Language Model Alignment
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https://openreview.net/forum?id=eBcXM9ebdP
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poster
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NeurIPS2024
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NaT
| null |
[
"Yuejiang Liu",
"Ahmad Rahimi",
"Po-Chien Luan",
"Frano Rajič",
"Alexandre Alahi"
] |
Learning Causally-Aware Representations of Multi-Agent Interactions
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https://openreview.net/forum?id=ar9IclPk8O
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NeurIPS2024
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NaT
| null |
[
"Yuzhe Yang",
"Haoran Zhang",
"Dina Katabi",
"Marzyeh Ghassemi"
] |
On Mitigating Shortcut Learning for Fair Chest X-ray Classification under Distribution Shift
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https://openreview.net/forum?id=Zz7eZoR1VN
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NeurIPS2024
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NaT
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[
"Kimathi Kaai",
"Saad Hossain",
"Sirisha Rambhatla"
] |
Are all classes created equal? Domain Generalization for Domain-Linked Classes
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https://openreview.net/forum?id=YV3MJo1uRa
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NeurIPS2024
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NaT
| null |
[
"Dapeng Hu",
"Jian Liang",
"Xinchao Wang",
"Chuan-Sheng Foo"
] |
Pseudo-Calibration: Improving Predictive Uncertainty Estimation in Domain Adaptation
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https://openreview.net/forum?id=SfRa1zGxCg
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NeurIPS2024
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NaT
| null |
[
"Dapeng Hu",
"Mi Luo",
"Jian Liang",
"Chuan-Sheng Foo"
] |
Simplifying and Stabilizing Model Selection in Unsupervised Domain Adaptation
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https://openreview.net/forum?id=QomMx4zOEI
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NeurIPS2024
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NaT
| null |
[
"Pankaj Rajak",
"Wojciech Kowalinski",
"Fei Wang"
] |
Transfer Learning, Reinforcement Learning for Adaptive Control Optimization under Distribution Shift
| null |
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https://openreview.net/forum?id=Og4BHvCA8h
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oral
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Prasanna Mayilvahanan",
"Thaddäus Wiedemer",
"Evgenia Rusak",
"Matthias Bethge",
"Wieland Brendel"
] |
Does CLIP’s generalization performance mainly stem from high train-test similarity?
| null |
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https://openreview.net/forum?id=NbaYFHLTd8
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NeurIPS2024
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NaT
| null |
[
"Shaunak Halbe",
"James Seale Smith",
"Junjiao Tian",
"Zsolt Kira"
] |
HePCo: Data-Free Heterogeneous Prompt Consolidation for Continual Federated Learning
| null |
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https://openreview.net/forum?id=KfgxnxTvp3
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Nicolas Jourdan"
] |
A Nearest Neighbor-Based Concept Drift Detection Strategy for Reliable Condition Monitoring
| null |
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https://openreview.net/forum?id=KWvKwgIxnD
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NeurIPS2024
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NaT
| null |
[
"Robert A Lewis",
"Katie Matton",
"Rosalind Picard",
"John Guttag"
] |
Improving Domain Generalization in Contrastive Learning using Domain-Aware Temperature Control
| null |
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https://openreview.net/forum?id=IITCBnEYiV
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NeurIPS2024
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NaT
| null |
[
"Alexandre Galashov",
"Michalis Titsias",
"Razvan Pascanu",
"Yee Whye Teh",
"Maneesh Sahani"
] |
Stochastic linear dynamics in parameters to deal with Neural Networks plasticity loss
| null |
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https://openreview.net/forum?id=HpY9tkX3Ui
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NeurIPS2024
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NaT
| null |
[
"Nilesh Tripuraneni",
"Lyric Doshi",
"Steve Yadlowsky"
] |
Can Transformers In-Context Learn Task Mixtures?
| null |
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https://openreview.net/forum?id=FiqXqKR26c
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Luís Felipe Prates Cattelan",
"Danilo Silva"
] |
On selective classification under distribution shift
| null |
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https://openreview.net/forum?id=Fd00jISBD0
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Stephen Robert Pfohl",
"Natalie Harris",
"Chirag Nagpal",
"David Madras",
"Vishwali Mhasawade",
"Olawale Elijah Salaudeen",
"Katherine A Heller",
"Sanmi Koyejo",
"Alexander Nicholas D'Amour"
] |
Understanding subgroup performance differences of fair predictors using causal models
| null |
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https://openreview.net/forum?id=D67r01BYYP
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"David Grangier",
"Pierre Ablin",
"Awni Hannun"
] |
Bilevel Optimization to Learn Training Distributions for Language Modeling under Domain Shift
| null |
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https://openreview.net/forum?id=BTOBu7y2ZD
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Pedro Vianna",
"Muawiz Sajjad Chaudhary",
"An Tang",
"Guy Cloutier",
"Guy Wolf",
"Michael Eickenberg",
"Eugene Belilovsky"
] |
Channel Selection for Test-Time Adaptation Under Distribution Shift
| null |
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https://openreview.net/forum?id=Agekm5fdW3
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NeurIPS2024
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NaT
| null |
[
"Saachi Jain",
"Kimia Hamidieh",
"Kristian Georgiev",
"Marzyeh Ghassemi",
"Aleksander Madry"
] |
Better than Balancing: Debiasing through Data Attribution
| null |
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https://openreview.net/forum?id=8fKaSNB0nX
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NeurIPS2024
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NaT
| null |
[
"Konstantin Klemmer",
"Esther Rolf",
"Caleb Robinson",
"Lester Mackey",
"Marc Rußwurm"
] |
Towards Global, General-Purpose Pretrained Geographic Location Encoders
| null |
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https://openreview.net/forum?id=7yVBYSPI8Z
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NeurIPS2024
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NaT
| null |
[
"Jaehoon Lee",
"Chan Kim",
"Gyumin Lee",
"Haksoo Lim",
"Jeongwhan Choi",
"Kookjin Lee",
"Dongeun Lee",
"Sanghyun Hong",
"Noseong Park"
] |
HyperNetwork Approximating Future Parameters for Time Series Forecasting under Temporal Drifts
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https://openreview.net/forum?id=7CUutNeDDg
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NeurIPS2024
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NaT
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https://github.com/elvishelvis/lca-on-the-line
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[
"Jia Shi",
"Gautam Rajendrakumar Gare",
"Jinjin Tian",
"Siqi Chai",
"Zhiqiu Lin",
"Arun Balajee Vasudevan",
"Di Feng",
"Francesco Ferroni",
"Shu Kong",
"Deva Ramanan"
] |
LCA-on-the-Line: Benchmarking Out of Distribution Generalization with Class Taxonomies
| 5 |
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https://openreview.net/forum?id=75A7QJgNey
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NeurIPS2024
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NaT
| null |
[
"Louis Kirsch",
"James Harrison",
"C. Daniel Freeman",
"Jascha Sohl-Dickstein",
"Jürgen Schmidhuber"
] |
Towards General-Purpose In-Context Learning Agents
| null |
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https://openreview.net/forum?id=5ck1WQ4yW4
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NeurIPS2024
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NaT
| null |
[
"Rulin Shao",
"Sewon Min",
"Luke Zettlemoyer",
"Pang Wei Koh"
] |
Retrieval-based Language Models Using a Multi-domain Datastore
| null |
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https://openreview.net/forum?id=562Bx0qZT5
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NeurIPS2024
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NaT
| null |
[
"Wenyi Wang",
"Louis Kirsch",
"Francesco Faccio",
"Mingchen Zhuge",
"Jürgen Schmidhuber"
] |
Continually Adapting Optimizers Improve Meta-Generalization
| null |
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https://openreview.net/forum?id=36yDnEOgKn
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NeurIPS2024
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NaT
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[
"Annie S Chen",
"Yoonho Lee",
"Amrith Setlur",
"Sergey Levine",
"Chelsea Finn"
] |
Confidence-Based Model Selection: When to Take Shortcuts in Spurious Settings
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https://openreview.net/forum?id=zu80h9YryU
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NeurIPS2024
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NaT
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[
"Fabricio Dos Santos",
"Tara Akhound-Sadegh",
"Siamak Ravanbakhsh"
] |
Physics-Informed Transformer Networks
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https://openreview.net/forum?id=x2Mscu1b7H
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NeurIPS2024
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NaT
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[
"Hari Raval",
"Pavlos Protopapas"
] |
Generalized One-Shot Transfer Learning of Linear Ordinary and Partial Differential Equations
| null |
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https://openreview.net/forum?id=wErWEsPY8g
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NeurIPS2024
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[
"Keyan Miao",
"Konstantinos Gatsis"
] |
Towards Optimal Network Depths: Control-Inspired Acceleration of Training and Inference in Neural ODEs
| null |
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https://openreview.net/forum?id=vovIKF6skz
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NeurIPS2024
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NaT
| null |
[
"Jinlin Xiang",
"Bozhao Qi",
"Marc Cerou",
"Wei Zhao",
"Qi Tang"
] |
Data-Driven Neural-ODE Modeling for Breast Cancer Tumor Dynamics and Progression-Free Survival Predictions
| null |
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https://openreview.net/forum?id=vNH92x7KXU
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
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[
"Lilian Wong"
] |
Orthogonal Polynomials Quadrature Algorithm: a functional analytic approach to inverse problems in deep learning
| null |
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https://openreview.net/forum?id=us4qvNWeGB
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Qiyu Kang",
"Yanan Zhao",
"Kai Zhao",
"Xuhao Li",
"Qinxu Ding",
"Wee Peng Tay",
"Sijie Wang"
] |
Advancing Graph Neural Networks Through Joint Time-Space Dynamics
| null |
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https://openreview.net/forum?id=sa7WBZgjrX
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NeurIPS2024
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NaT
| null |
[
"Pablo Flores",
"Olga Graf",
"Pavlos Protopapas",
"Karim Pichara"
] |
Two-Step Bayesian PINNs for Uncertainty Estimation
| null |
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https://openreview.net/forum?id=rnhkE2vb4r
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NeurIPS2024
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NaT
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[
"Progyan Das",
"Dwip Dalal",
"Anirban Dasgupta"
] |
ODESolvers are also Wayfinders: Neural ODEs for Multi-Agent Pathplanning
| null |
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https://openreview.net/forum?id=qd7q9lB5hY
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NeurIPS2024
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NaT
| null |
[
"Colin White",
"Julius Berner",
"Jean Kossaifi",
"Mogab Elleithy",
"David Pitt",
"Daniel Leibovici",
"Zongyi Li",
"Kamyar Azizzadenesheli",
"Anima Anandkumar"
] |
Physics-Informed Neural Operators with Exact Differentiation on Arbitrary Geometries
| null |
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https://openreview.net/forum?id=nl1ZzdHpab
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NeurIPS2024
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NaT
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[
"Reza Akbarian Bafghi",
"Maziar Raissi"
] |
PINNs-Torch: Enhancing Speed and Usability of Physics-Informed Neural Networks with PyTorch
| null |
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https://openreview.net/forum?id=kZmxbQ0l3l
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| null | null | null | null | null | null | null | null | null | null |
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[
"Patrick Chatain",
"Adam M Oberman"
] |
Deep PDE Solvers for Subgrid Modelling and Out-of-Distribution Generalization
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https://openreview.net/forum?id=eu0Bhwg8hy
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[
"Vardhan Dongre",
"Gurpreet Singh Hora"
] |
Evaluating Uncertainty Quantification approaches for Neural PDEs in scientific application
| null |
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https://openreview.net/forum?id=eOODNEuD7D
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NeurIPS2024
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[
"Shane Josias",
"Willie Brink"
] |
Multimodal base distributions for continuous-time normalising flows
| null |
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https://openreview.net/forum?id=eGH9uUqD9P
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NaT
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[
"Siddarth Asokan",
"Chandra Sekhar Seelamantula"
] |
ELeGANt: An Euler-Lagrange Analysis of Wasserstein Generative Adversarial Networks
| null |
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https://openreview.net/forum?id=IUowDkxcci
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NeurIPS2024
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NaT
| null |
[
"Yexiang Xue"
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Vertical AI-driven Scientific Discovery
| null |
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https://openreview.net/forum?id=FsJ2FdQ19C
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NeurIPS2024
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NaT
| null |
[
"Jerry Weihong Liu",
"N. Benjamin Erichson",
"Kush Bhatia",
"Michael W. Mahoney",
"Christopher Re"
] |
Does In-Context Operator Learning Generalize to Domain-Shifted Settings?
| null |
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https://openreview.net/forum?id=9hcsB4oYxG
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[
"Léa Demeule",
"Mahtab Sandhu",
"Glen Berseth"
] |
Adaptive Resolution Residual Networks
| null |
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https://openreview.net/forum?id=6sJqg7xwio
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| null |
[
"Alexander Lobashev",
"Nikita Turko",
"Konstantin Ushakov",
"Maxim Kaurkin",
"Rashit Ibrayev"
] |
On the Generalization of Deep Neural Networks for Optimal Sensor Placement in Global Ocean Forecasting
| null |
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https://openreview.net/forum?id=3FBY4NdDVU
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[
"Nico Disch",
"David Zimmerer"
] |
A Holistic Vision: Modeling Patient Trajectories in Longitudinal Medical Imaging
| null |
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https://openreview.net/forum?id=1phOqr675L
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NaT
| null |
[
"Haoyue Tang",
"Tian Xie",
"Aosong Feng",
"Hanyu Wang",
"Chenyang Zhang",
"Yang Bai"
] |
Solving Noisy Inverse Problems via Posterior Sampling: A Policy Gradient View-Point
| null |
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https://openreview.net/forum?id=1J9xoPFaKU
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[
"Taniya Kapoor",
"Abhishek Chandra",
"Daniel Tartakovsky",
"Hongrui Wang",
"Alfredo Núñez",
"Rolf Dollevoet"
] |
Neural oscillators for generalizing parametric PDEs
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https://openreview.net/forum?id=yWO07xH7PB
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NeurIPS2024
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NaT
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[
"Joshua Yao-Yu Lin"
] |
MolSiam: Simple Siamese Self-supervised Representation Learning for Small Molecules
| null |
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https://openreview.net/forum?id=ySUsZqIskj
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NaT
| null |
[
"You Wu",
"Omid Bazgir",
"Yongju Lee",
"Tommaso Biancalani",
"James Lu",
"Ehsan Hajiramezanali"
] |
Multitask-Guided Self-Supervised Tabular Learning for Patient-Specific Survival Prediction
| null |
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https://openreview.net/forum?id=yOmTE8XCyF
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NaT
| null |
[
"Mirko Torrisi",
"Saeid Asadollahi",
"Antonio De la Vega de Leon",
"Kai Wang",
"Wilbert Copeland"
] |
Do chemical language models provide a better compound representation?
| null |
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https://openreview.net/forum?id=tXKSsUeseq
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NaT
| null |
[
"Elizaveta Kozlova",
"Arthur Valentin",
"Daniel Nakhaee-Zadeh Gutierrez"
] |
Inpainting Protein Sequence and Structure with ProtFill
| null |
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https://openreview.net/forum?id=rNUnPbHilv
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oral
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NaT
| null |
[
"Amir Pouya Shanehsazzadeh"
] |
In vitro validated antibody design against multiple therapeutic antigens using generative inverse folding
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https://openreview.net/forum?id=qj1Di608kj
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NeurIPS2024
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NaT
| null |
[
"Mattson Thieme",
"Majdi Hassan",
"Chetan Rupakheti",
"Kedar Balaji Thiagarajan",
"Abhishek Pandey",
"Han Liu"
] |
TopoPool: An Adaptive Graph Pooling Layer for Extracting Molecular and Protein Substructures
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=olMBz7gxls
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oral
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Denis Tarasov",
"Ulrich Armel Mbou Sob",
"Miguel Arbesú",
"Nima H. Siboni",
"Sebastien Boyer",
"Andries Petrus Smit",
"Oliver Bent",
"Arnu Pretorius",
"Marcin J. Skwark"
] |
Offline RL for generative design of protein binders
| null |
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https://openreview.net/forum?id=oRCo0RKAMA
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Hongju Park",
"Mohamad Kazem Shirani Faradonbeh"
] |
Online Learning of Optimal Prescriptions under Bandit Feedback with Unknown Contexts
| null |
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https://openreview.net/forum?id=nYTeNDMz0E
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Jin Xu",
"Steven Kearnes",
"JW Feng"
] |
Hit Expansion Driven By Machine Learning
| null |
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https://openreview.net/forum?id=cbCimtxKy0
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Tony Shen",
"Mohit Pandey",
"Jason Smith",
"Artem Cherkasov",
"Martin Ester"
] |
TacoGFN: Target Conditioned GFlowNet for Drug Design
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=ZT0V2VVDJc
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Yanzheng Wang",
"Tianyu Shi"
] |
Sample-efficient Antibody Design through Protein Language Model for Risk-aware Batch Bayesian Optimization
| null |
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https://openreview.net/forum?id=YXchfo0LlX
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Frederic A Dreyer",
"Daniel Cutting",
"David Errington",
"Constantin Schneider",
"Charlotte Deane"
] |
De novo design of antibody heavy chains with SE(3) diffusion
| null |
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https://openreview.net/forum?id=YI85Jrvpj0
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Julius Adebayo",
"Samuel Don Stanton",
"Simon Kelow",
"Michael Maser",
"Richard Bonneau",
"Vladimir Gligorijevic",
"Kyunghyun Cho",
"Stephen Ra",
"Nathan C. Frey"
] |
Identifying regularization schemes that make feature attributions faithful
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=S3jU99U2k5
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Ying Jin",
"Emmanuel Candes"
] |
Model-free selective inference and its applications to drug discovery
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=OrET0hHwLy
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"BoRam Lee",
"Yara Seif",
"Kevin Teng",
"Xiao Xiao",
"Isha Verma",
"Ming-Tang Chen",
"Alan C Cheng"
] |
Ab-DeepGA: A generative modeling framework leveraging deep learning for antibody affinity tuning
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=O9bzFjQBjg
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Arushi GK Majha",
"Ian Stott",
"Andreas Bender"
] |
On Modelability and Generalizability: Are Machine Learning Models for Drug Synergy Exploiting Artefacts and Biases in Available Data?
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=NYbnVDuKuC
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Jordan Crivelli-Decker",
"Zane Beckwith",
"Gary Tom",
"Ly Le",
"Sheenam Khuttan",
"Romelia Salomon-Ferrer",
"Jackson Beall",
"Andrea Bortolato"
] |
Machine Learning Guided AQFEP: A Fast Efficient Absolute Free Energy Perturbation Solution for Virtual Screening
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=N6uLT2MVV1
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Geoffroy Dubourg-Felonneau",
"Eyal\tAkiva",
"Daniel Wesego",
"Ranjani Varadan"
] |
PiNUI: A Dataset of Protein-Protein Interactions for Machine Learning
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=M9WREnrXDQ
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Sina Akbarian",
"Sepehr Asgarian",
"Jouhyun Jeon"
] |
All You Need is LOVE: Large Optimized Vector Embeddings Network for Drug Repurposing
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=LdRmpu41Pt
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Charles Harris",
"Kieran Didi",
"Arian Jamasb",
"Chaitanya Joshi",
"Simon Mathis",
"Pietro Lio",
"Tom Blundell"
] |
PoseCheck: Generative Models for 3D Structure-based Drug Design Produce Unrealistic Poses
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=KWWbS5yVtl
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Lauren DeLong",
"Yojana Gadiya",
"Jacques D. Fleuriot",
"Daniel Domingo-Fernández"
] |
Neurosymbolic AI Reveals Biases and Limitations in ML-Driven Drug Discovery
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=KWIM7ZNYxb
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Julien Martinelli",
"Yasmine Nahal",
"Duong Lê",
"Ola Engkvist",
"Samuel Kaski"
] |
Leveraging expert feedback to align proxy and ground truth rewards in goal-oriented molecular generation
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=Jjcd2SaH9B
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Yi Zhou",
"Yilai Li",
"Jing Yuan",
"Fei YE",
"Quanquan Gu"
] |
CryoSTAR: Cryo-EM Heterogeneous Reconstruction of Atomic Models with Structural Regularization
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=JaOXEQWqwK
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Amitesh Badkul",
"Li Xie",
"Shuo Zhang",
"Lei Xie"
] |
TrustAffinity: accurate, reliable and scalable out-of-distribution protein-ligand binding affinity prediction using trustworthy deep learning
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=GEqSrmfbvv
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Drew Linsley",
"John Griffin",
"Jason Parker Brown",
"Adam N Roose",
"Michael Frank",
"Steven Finkbeiner",
"Peter S Linsley",
"Jeremy William Linsley"
] |
The neural scaling laws for phenotypic drug discovery
| null |
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https://openreview.net/forum?id=G3WhQ8BtAI
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Florian Sestak",
"Lisa Schneckenreiter",
"Sepp Hochreiter",
"Andreas Mayr",
"Günter Klambauer"
] |
VN-EGNN: Equivariant Graph Neural Networks with Virtual Nodes Enhance Protein Binding Site Identification
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=BDIljrhC5q
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Weitong Zhang",
"Xiaoyun Wang",
"Weili Nie",
"Joe Eaton",
"Brad Rees",
"Quanquan Gu"
] |
MoleculeGPT: Instruction Following Large Language Models for Molecular Property Prediction
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=AlWm9Cyelk
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Ali Khodabandeh Yalabadi",
"Mehdi Yazdani-Jahromi",
"Niloofar Yousefi",
"Aida Tayebi",
"Sina Abdidizaji",
"Ozlem Garibay"
] |
FragXsiteDTI: an interpretable transformer-based model for drug-target interaction prediction
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=8RPbtOC6Sl
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oral
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Xuefeng Liu",
"Songhao Jiang",
"Archit Vasan",
"Alexander Brace",
"Ozan Gokdemir",
"Thomas Brettin",
"Fangfang Xia",
"Ian Foster",
"Rick Stevens"
] |
DrugImprover: Utilizing Reinforcement Learning for Multi-Objective Alignment in Drug Optimization
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=6KdR429i2Q
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Zachary A Rollins",
"Talal Widatalla",
"Andrew Waight",
"Alan C Cheng",
"Essam Metwally"
] |
AbLEF: Antibody Language Ensemble Fusion for thermodynamically empowered property predictions
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=5Wt7qNRc5u
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Michael Plainer",
"Marcella Toth",
"Simon Dobers",
"Hannes Stark",
"Gabriele Corso",
"Céline Marquet",
"Regina Barzilay"
] |
DiffDock-Pocket: Diffusion for Pocket-Level Docking with Sidechain Flexibility
| null |
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Workshop/AI4D3
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https://openreview.net/forum?id=3mRveUdfXA
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"David A Bloore",
"Joseph Chahn Kim",
"Karan Kapoor",
"Eric Chen",
"Kaifu Gao",
"Mengdi Wang",
"Ming-Hong Hao"
] |
Protein Language Models Enable Accurate Cryptic Ligand Binding Pocket Prediction
| null |
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https://openreview.net/forum?id=3RKshM630V
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Adriana Carolina Gonzalez Cavazos",
"Roger Tu",
"Meghamala Sinha",
"Andrew Su"
] |
Explaining Drug Repositioning: A Case-Based Reasoning Graph Neural Network Approach
| null |
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https://openreview.net/forum?id=3OW9rqKGKy
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Miles Wang-Henderson",
"Bartu Soyuer",
"Parnian Kassraie",
"Andreas Krause",
"Ilija Bogunovic"
] |
Graph Neural Bayesian Optimization for Virtual Screening
| null |
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https://openreview.net/forum?id=0YUQoQKfGC
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Bowen Jing",
"Tommi Jaakkola",
"Bonnie Berger"
] |
Learning Scalar Fields for Molecular Docking with Fast Fourier Transforms
| null |
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https://openreview.net/forum?id=zhCq4KQsYS
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Seonghyun Kim",
"Samyeul Noh",
"Ingook Jang"
] |
Numerical Goal-based Transformers for Practical Conditions
| null |
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https://openreview.net/forum?id=wQuszp2l3U
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Saptarashmi Bandyopadhyay",
"Vibhu Agrawal",
"Sarah Savidge",
"Eric Krokos",
"John P Dickerson"
] |
Goal-Conditioned Recommendations of AI Explanations
| null |
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Workshop/GCRL
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https://openreview.net/forum?id=l8iK6YqgkR
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Onno Eberhard",
"Thibaut Cuvelier",
"Michal Valko",
"Bruno Adrien De Backer"
] |
Middle-Mile Logistics Through the Lens of Goal-Conditioned Reinforcement Learning
| null |
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https://openreview.net/forum?id=ktyvmR8btd
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Beyazit Yalcinkaya",
"Niklas Lauffer",
"Marcell Vazquez-Chanlatte",
"Sanjit Seshia"
] |
Automata Conditioned Reinforcement Learning with Experience Replay
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https://openreview.net/forum?id=ihbEwhPaXe
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Aamer Abdul Rahman",
"Pranav Agarwal",
"Vincent Michalski",
"Rita Noumeir",
"Samira Kahou"
] |
Empowering Clinicians with MeDT: A Framework for Sepsis Treatment
| null |
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https://openreview.net/forum?id=hw0WiUnS0G
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Sabrina McCallum",
"Max Taylor-Davies",
"Stefano Albrecht",
"Alessandro Suglia"
] |
Is feedback all you need? Leveraging natural language feedback in goal-conditioned RL
| null |
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https://openreview.net/forum?id=dmScrQ7SFo
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Harshit Sikchi",
"Rohan Chitnis",
"Ahmed Touati",
"Alborz Geramifard",
"Amy Zhang",
"Scott Niekum"
] |
Score-Models for Offline Goal-Conditioned Reinforcement Learning
| null |
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Workshop/GCRL
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https://openreview.net/forum?id=UyNjQ3UKO2
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Piotr Piękos",
"Aditya Ramesh",
"Francesco Faccio",
"Jürgen Schmidhuber"
] |
Efficient Value Propagation with the Compositional Optimality Equation
| null |
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Workshop/GCRL
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https://openreview.net/forum?id=UCGIQaP1mr
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Shalev Lifshitz",
"Keiran Paster",
"Harris Chan",
"Jimmy Ba",
"Sheila McIlraith"
] |
STEVE-1: A Generative Model for Text-to-Behavior in Minecraft (Abridged Version)
| null |
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Workshop/GCRL
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https://openreview.net/forum?id=S1aOVW3EWv
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
|
https://github.com/rajghugare19/stitching-is-combinatorial-generalisation
|
[
"Raj Ghugare",
"Matthieu Geist",
"Glen Berseth",
"Benjamin Eysenbach"
] |
Closing the Gap between TD Learning and Supervised Learning – A Generalisation Point of View.
| 19 |
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Workshop/GCRL
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https://openreview.net/forum?id=QT4tXTqTTr
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Diego Dorn",
"Neel Alex",
"David Krueger"
] |
Goal Misgeneralization as Implicit Goal Conditioning
| null |
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Workshop/GCRL
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https://openreview.net/forum?id=HvtpbQkpK1
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Vihaan Akshaay Rajendiran",
"Yu-Xiang Wang",
"Lei Li"
] |
Bi-Directional Goal-Conditioning on Single Value Function for State Space Search Problems
| null |
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Workshop/GCRL
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https://openreview.net/forum?id=HJNo1kGVQz
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Ivana Malenica",
"Susan Murphy"
] |
Causality in Goal Conditioned RL: Return to No Future?
| null |
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Workshop/GCRL
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https://openreview.net/forum?id=GAsu0qy83J
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Andrew Levy",
"Sreehari Rammohan",
"Alessandro Allievi",
"Scott Niekum",
"George Konidaris"
] |
Hierarchical Empowerment: Toward Tractable Empowerment-Based Skill Learning
| null |
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https://openreview.net/forum?id=DrosGMxl2v
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Ziyan Luo",
"Yijie Zhang",
"Zhaoyue Wang"
] |
Does Hierarchical Reinforcement Learning Outperform Standard Reinforcement Learning in Goal-Oriented Environments?
| null |
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Workshop/GCRL
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https://openreview.net/forum?id=DaFZHuSgnG
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Kevin Black",
"Mitsuhiko Nakamoto",
"Pranav Atreya",
"Homer Walke",
"Chelsea Finn",
"Aviral Kumar",
"Sergey Levine"
] |
Zero-Shot Robotic Manipulation with Pre-Trained Image-Editing Diffusion Models
| null |
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Workshop/GCRL
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https://openreview.net/forum?id=DYd2q5wufn
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Henrik Metternich",
"Ahmed Hendawy",
"Pascal Klink",
"Jan Peters",
"Carlo D'Eramo"
] |
Using Proto-Value Functions for Curriculum Generation in Goal-Conditioned RL
| null |
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Workshop/GCRL
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https://openreview.net/forum?id=5vne5bcNjl
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poster
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NeurIPS2024
| null | null | null | null | null | null | null | null | null | null |
NaT
| null |
[
"Ying Fan",
"Jingling Li",
"Adith Swaminathan",
"Aditya Modi",
"Ching-An Cheng"
] |
Simple Data Sharing for Multi-Tasked Goal-Oriented Problems
| null |
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