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Traditional drug discovery programs are being transformed by the advent of machine learning methods. Among these, Generative AI methods (GM) have gained attention due to their ability to design new molecules and enhance specific properties…

Many inference-time language-model pipelines combine a cheap reward signal with an expensive verifier, such as exact answer checking in mathematical reasoning or hidden-test execution in code generation. We formalize this setting using a…

Machine Learning · Computer Science 2026-05-19 Shaddin Dughmi , Mahdi Haghifam , Yusuf Hakan Kalayci

We address the problem of efficient phase diagram sampling by adopting active learning techniques from machine learning, and achieve an 80% reduction in the sample size (number of sampled statepoints) needed to establish the phase boundary…

Computational Physics · Physics 2018-03-12 Chengyu Dai , Isaac R. Bruss , Sharon C. Glotzer

Magnetic Resonance Imaging allows high resolution data acquisition with the downside of motion sensitivity due to relatively long acquisition times. Even during the acquisition of a single 2D slice, motion can severely corrupt the image.…

Numerical Analysis · Mathematics 2024-04-12 Mathias S. Feinler , Bernadette N. Hahn

Recent progress in generative models has stimulated significant innovations in many fields, such as image generation and chatbots. Despite their success, these models often produce sketchy and misleading solutions for complex multi-agent…

Artificial Intelligence · Computer Science 2024-10-04 Zeyang Liu , Xinrui Yang , Shiguang Sun , Long Qian , Lipeng Wan , Xingyu Chen , Xuguang Lan

Inference on unknown quantities in dynamical systems via observational data is essential for providing meaningful insight, furnishing accurate predictions, enabling robust control, and establishing appropriate designs for future…

Methodology · Statistics 2018-02-06 M. Chung , M. Binois , R. B. Gramacy , D. J. Moquin , A. P. Smith , A. M. Smith

GAIL is a recent successful imitation learning architecture that exploits the adversarial training procedure introduced in GANs. Albeit successful at generating behaviours similar to those demonstrated to the agent, GAIL suffers from a high…

Machine Learning · Computer Science 2019-03-11 Lionel Blondé , Alexandros Kalousis

We study Markov decision processes (MDPs), where agents have direct control over when and how they gather information, as formalized by action-contingent noiselessly observable MDPs (ACNO-MPDs). In these models, actions consist of two…

Artificial Intelligence · Computer Science 2023-03-16 Merlijn Krale , Thiago D. Simão , Nils Jansen

We introduce an algorithm for model-based hierarchical reinforcement learning to acquire self-contained transition and reward models suitable for probabilistic planning at multiple levels of abstraction. We call this framework Planning with…

Machine Learning · Computer Science 2020-06-15 John Winder , Stephanie Milani , Matthew Landen , Erebus Oh , Shane Parr , Shawn Squire , Marie desJardins , Cynthia Matuszek

This work studies training generative adversarial networks under the federated learning setting. Generative adversarial networks (GANs) have achieved advancement in various real-world applications, such as image editing, style transfer,…

Machine Learning · Computer Science 2020-07-21 Chenyou Fan , Ping Liu

Deep Gaussian processes (DGPs) are increasingly popular as predictive models in machine learning (ML) for their non-stationary flexibility and ability to cope with abrupt regime changes in training data. Here we explore DGPs as surrogates…

Methodology · Statistics 2021-08-27 Annie Sauer , Robert B. Gramacy , David Higdon

This paper studies graphical model selection, i.e., the problem of estimating a graph of statistical relationships among a collection of random variables. Conventional graphical model selection algorithms are passive, i.e., they require all…

Machine Learning · Statistics 2014-04-15 Divyanshu Vats , Robert D. Nowak , Richard G. Baraniuk

In recent years, Generative Adversarial Networks (GANs) have shown substantial progress in modeling complex distributions of data. These networks have received tremendous attention since they can generate implicit probabilistic models that…

Signal Processing · Electrical Eng. & Systems 2018-10-25 Mehdi Ahmadi , Timothy Nest , Mostafa Abdelnaim , Thanh-Dung Le

To address the dual challenges of inherent stochasticity and non-differentiable metrics in physical spatiotemporal forecasting, we propose Spatiotemporal Forecasting as Planning (SFP), a new paradigm grounded in Model-Based Reinforcement…

Machine Learning · Computer Science 2025-10-13 Hao Wu , Yuan Gao , Xingjian Shi , Shuaipeng Li , Fan Xu , Fan Zhang , Zhihong Zhu , Weiyan Wang , Xiao Luo , Kun Wang , Xian Wu , Xiaomeng Huang

This paper addresses the Multi-Robot Active Information Acquisition (AIA) problem, where a team of mobile robots, communicating through an underlying graph, estimates a hidden state expressing a phenomenon of interest. Applications like…

Robotics · Computer Science 2024-10-28 Mariliza Tzes , Nikolaos Bousias , Evangelos Chatzipantazis , George J. Pappas

Slow Feature Analysis is a unsupervised representation learning method that extracts slowly varying features from temporal data and can be used as a basis for subsequent reinforcement learning. Often, the behavior that generates the data on…

Machine Learning · Computer Science 2025-06-03 Merlin Schüler , Eddie Seabrook , Laurenz Wiskott

Face Recognition (FR) models are vulnerable to adversarial examples that subtly manipulate benign face images, underscoring the urgent need to improve the transferability of adversarial attacks in order to expose the blind spots of these…

Computer Vision and Pattern Recognition · Computer Science 2025-04-01 Fengfan Zhou , Bangjie Yin , Hefei Ling , Qianyu Zhou , Wenxuan Wang

Micro-gestures are subtle and transient movements triggered by unconscious neural and emotional activities, holding great potential for human-computer interaction and clinical monitoring. However, their low amplitude, short duration, and…

Computer Vision and Pattern Recognition · Computer Science 2026-03-10 Weijia Feng , Jingyu Yang , Ruojia Zhang , Fengtao Sun , Qian Gao , Chenyang Wang , Tongtong Su , Jia Guo , Xiaobai Li , Minglai Shao

Scaling laws dictate that the performance of AI models is proportional to the amount of available data. Data augmentation is a promising solution to expanding the dataset size. Traditional approaches focused on augmentation using rotation,…

Computer Vision and Pattern Recognition · Computer Science 2024-09-04 Fazle Rahat , M Shifat Hossain , Md Rubel Ahmed , Sumit Kumar Jha , Rickard Ewetz

We study episodic reinforcement learning in Markov decision processes when the agent receives additional feedback per step in the form of several transition observations. Such additional observations are available in a range of tasks…

Machine Learning · Computer Science 2020-05-11 Christoph Dann , Yishay Mansour , Mehryar Mohri , Ayush Sekhari , Karthik Sridharan