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Human cognition is profoundly shaped by the environments in which it unfolds. Yet, it remains an open question whether learning and decision making can be explained as a principled adaptation to the statistical structure of real-world…

Neurons and Cognition · Quantitative Biology 2025-09-04 Akshay K. Jagadish , Mirko Thalmann , Julian Coda-Forno , Marcel Binz , Eric Schulz

While deep learning-based classification is generally tackled using standardized approaches, a wide variety of techniques are employed for regression. In computer vision, one particularly popular such technique is that of confidence-based…

Machine Learning · Computer Science 2020-07-21 Fredrik K. Gustafsson , Martin Danelljan , Goutam Bhat , Thomas B. Schön

Retrosynthesis -- the process of identifying a set of reactants to synthesize a target molecule -- is of vital importance to material design and drug discovery. Existing machine learning approaches based on language models and graph neural…

Chemical Physics · Physics 2021-12-10 Ruoxi Sun , Hanjun Dai , Li Li , Steven Kearnes , Bo Dai

The Energy-Based Model (EBM) framework is a very general approach to generative modeling that tries to learn and exploit probability distributions only defined though unnormalized scores. It has risen in popularity recently thanks to the…

Machine Learning · Computer Science 2022-02-25 Léo Gagnon , Guillaume Lajoie

This paper presents a novel decision-focused framework integrating the physical energy storage model into machine learning pipelines. Motivated by the model predictive control for energy storage, our end-to-end method incorporates the prior…

Systems and Control · Electrical Eng. & Systems 2024-12-06 Ming Yi , Saud Alghumayjan , Bolun Xu

Large pretrained self-attention neural networks, or transformers, have been very successful in various tasks recently. The performance of a model on a given task depends on its ability to memorize and generalize the training data. Large…

Machine Learning · Computer Science 2024-08-01 Aki Härmä , Marcin Pietrasik , Anna Wilbik

Recent advances at the intersection of control theory, neuroscience, and machine learning have revealed novel mechanisms by which dynamical systems perform computation. These advances encompass a wide range of conceptual, mathematical, and…

Machine Learning · Computer Science 2026-04-10 Arthur N. Montanari , Francesco Bullo , Dmitry Krotov , Adilson E. Motter

While energy-based models (EBMs) exhibit a number of desirable properties, training and sampling on high-dimensional datasets remains challenging. Inspired by recent progress on diffusion probabilistic models, we present a diffusion…

Machine Learning · Computer Science 2021-03-30 Ruiqi Gao , Yang Song , Ben Poole , Ying Nian Wu , Diederik P. Kingma

Energy-based models (EBMs) provide a powerful and flexible way of learning a joint probability distribution over data by constructing an energy surface. This energy surface enables insight extraction and conditional sampling. We apply EBMs…

Plasma Physics · Physics 2026-05-12 Phil Travis , Troy Carter

Many hallmarks of human intelligence, such as generalizing from limited experience, abstract reasoning and planning, analogical reasoning, creative problem solving, and capacity for language require the ability to consolidate experience…

Artificial Intelligence · Computer Science 2018-11-07 Igor Mordatch

Much of model-based reinforcement learning involves learning a model of an agent's world, and training an agent to leverage this model to perform a task more efficiently. While these models are demonstrably useful for agents, every…

Neural and Evolutionary Computing · Computer Science 2019-11-01 C. Daniel Freeman , Luke Metz , David Ha

Reinforcement learning suffers from limitations in real practices primarily due to the number of required interactions with virtual environments. It results in a challenging problem because we are implausible to obtain a local optimal…

Machine Learning · Computer Science 2024-10-28 Qizhen Wu , Kexin Liu , Lei Chen

The unsupervised Pretraining method has been widely used in aiding human action recognition. However, existing methods focus on reconstructing the already present frames rather than generating frames which happen in future.In this paper, We…

Computer Vision and Pattern Recognition · Computer Science 2017-12-13 Yu Runsheng , Shi Zhenyu , Ma Qiongxiong , Qing Laiyun

Existing methods, such as concept bottleneck models (CBMs), have been successful in providing concept-based interpretations for black-box deep learning models. They typically work by predicting concepts given the input and then predicting…

Computer Vision and Pattern Recognition · Computer Science 2025-01-03 Xinyue Xu , Yi Qin , Lu Mi , Hao Wang , Xiaomeng Li

We propose a simple, but efficient and accurate machine learning (ML) model for developing high-dimensional potential energy surface. This so-called embedded atom neural network (EANN) approach is inspired by the well-known empirical…

Chemical Physics · Physics 2019-10-23 Yaolong Zhang , Ce Hu , Bin Jiang

Model selection is a strategy aimed at creating accurate and robust models. A key challenge in designing these algorithms is identifying the optimal model for classifying any particular input sample. This paper addresses this challenge and…

Machine Learning · Computer Science 2023-05-22 James Kotary , Vincenzo Di Vito , Ferdinando Fioretto

An energy-based model (EBM) is a popular generative framework that offers both explicit density and architectural flexibility, but training them is difficult since it is often unstable and time-consuming. In recent years, various training…

Machine Learning · Computer Science 2023-03-07 Hankook Lee , Jongheon Jeong , Sejun Park , Jinwoo Shin

This paper provides a first study of utilizing energy harvesting for sustainable machine learning in distributed networks. We consider a distributed learning setup in which a machine learning model is trained over a large number of devices…

Machine Learning · Computer Science 2021-02-11 Basak Guler , Aylin Yener

The field of predictive process monitoring focuses on case-level models to predict a single specific outcome such as a particular objective, (remaining) time, or next activity/remaining sequence. Recently, a longer-horizon, model-wide…

Machine Learning · Computer Science 2023-01-11 Johannes De Smedt , Jochen De Weerdt

Energy-based modeling is a promising approach to unsupervised learning, which yields many downstream applications from a single model. The main difficulty in learning energy-based models with the "contrastive approaches" is the generation…

Machine Learning · Computer Science 2021-11-30 Kirill Neklyudov , Priyank Jaini , Max Welling
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