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Energy-based models (EBMs) are generative models inspired by statistical physics with a wide range of applications in unsupervised learning. Their performance is best measured by the cross-entropy (CE) of the model distribution relative to…

Machine Learning · Computer Science 2023-12-14 Davide Carbone , Mengjian Hua , Simon Coste , Eric Vanden-Eijnden

Molecules in equilibrium follow a Boltzmann distribution, making the underlying energy landscape a physically grounded modeling objective. However, such landscapes are difficult to learn from data and, once learned, hard to sample from.…

Machine Learning · Computer Science 2026-05-19 Christoph Griesbacher , Lea Bogensperger , Andreas Habring , Thomas Pock

Training neural networks involves finding minima of a high-dimensional non-convex loss function. Knowledge of the structure of this energy landscape is sparse. Relaxing from linear interpolations, we construct continuous paths between…

Machine Learning · Statistics 2019-02-25 Felix Draxler , Kambis Veschgini , Manfred Salmhofer , Fred A. Hamprecht

Several pool-based active learning algorithms (AL) were employed to model potential energy surfaces (PESs) with a minimum number of electronic structure calculations. Theoretical and empirical results suggest that superior strategies can be…

Chemical Physics · Physics 2021-10-27 Yahya Saleh , Vishnu Sanjay , Armin Iske , Andrey Yachmenev , Jochen Küpper

Energy-Based Models (EBMs) present a flexible and appealing way to represent uncertainty. Despite recent advances, training EBMs on high-dimensional data remains a challenging problem as the state-of-the-art approaches are costly, unstable,…

Machine Learning · Computer Science 2021-06-08 Will Grathwohl , Jacob Kelly , Milad Hashemi , Mohammad Norouzi , Kevin Swersky , David Duvenaud

Continual learning has become essential in many practical applications such as online news summaries and product classification. The primary challenge is known as catastrophic forgetting, a phenomenon where a model inadvertently discards…

Machine Learning · Computer Science 2025-01-13 Xiaodi Li , Dingcheng Li , Rujun Gao , Mahmoud Zamani , Latifur Khan

Energy-Based Models (EBMs) are an important class of probabilistic models, also known as random fields and undirected graphical models. EBMs are un-normalized and thus radically different from other popular self-normalized probabilistic…

Machine Learning · Computer Science 2024-03-19 Zhijian Ou

The Manta Ray Foraging Optimization algorithm (MRFO) has proven to be a powerful heuristic strategy in the optimal solution of a large number of engineering problems. In this paper, an improvement of MRFO with Levy Flight is suggested for…

Neural and Evolutionary Computing · Computer Science 2026-05-19 Adrian Rubio-Solis

We introduce a novel heuristic global optimization method, energy landscape paving (ELP), which combines core ideas from energy surface deformation and tabu search. In appropriate limits, ELP reduces to existing techniques. The approach is…

Computational Physics · Physics 2009-11-07 Luc T. Wille , U. H. E. Hansmann

We study the energy minimization problem in low-level vision tasks from a novel perspective. We replace the heuristic regularization term with a learnable subspace constraint, and preserve the data term to exploit domain knowledge derived…

Computer Vision and Pattern Recognition · Computer Science 2020-04-21 Chengzhou Tang , Lu Yuan , Ping Tan

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

Decision-focused learning (DFL) was recently proposed for stochastic optimization problems that involve unknown parameters. By integrating predictive modeling with an implicitly differentiable optimization layer, DFL has shown superior…

Machine Learning · Computer Science 2022-11-28 Lingkai Kong , Jiaming Cui , Yuchen Zhuang , Rui Feng , B. Aditya Prakash , Chao Zhang

Motivated by multi-task and meta-learning approaches, we consider the problem of learning structure shared by tasks or users, such as shared low-rank representations or clustered structures. While all previous works focus on well-specified…

Machine Learning · Computer Science 2025-02-14 Mathieu Even , Laurent Massoulié

We propose to learn energy-based model (EBM) in the latent space of a generator model, so that the EBM serves as a prior model that stands on the top-down network of the generator model. Both the latent space EBM and the top-down network…

Machine Learning · Statistics 2020-10-30 Bo Pang , Tian Han , Erik Nijkamp , Song-Chun Zhu , Ying Nian Wu

Score matching (SM) provides a compelling approach to learn energy-based models (EBMs) by avoiding the calculation of partition function. However, it remains largely open to learn energy-based latent variable models (EBLVMs), except some…

Machine Learning · Computer Science 2020-10-19 Fan Bao , Chongxuan Li , Kun Xu , Hang Su , Jun Zhu , Bo Zhang

In this paper we first analyzed the inductive bias underlying the data scattered across complex free energy landscapes (FEL), and exploited it to train deep neural networks which yield reduced and clustered representation for the FEL. Our…

Statistical Mechanics · Physics 2021-03-19 Jun Zhang , Yao-Kun Lei , Xing Che , Zhen Zhang , Yi Isaac Yang , Yi Qin Gao

The goal of a generative model is to capture the distribution underlying the data, typically through latent variables. After training, these variables are often used as a new representation, more effective than the original features in a…

Machine Learning · Computer Science 2015-04-29 Maruan Al-Shedivat , Emre Neftci , Gert Cauwenberghs

Extreme learning machine (ELM) as an emerging branch of shallow networks has shown its excellent generalization and fast learning speed. However, for blended data, the robustness of ELM is weak because its weights and biases of hidden nodes…

Machine Learning · Computer Science 2014-09-24 Bo Han , Bo He , Mengmeng Ma , Tingting Sun , Tianhong Yan , Amaury Lendasse

Energy landscape analysis is a data-driven method to analyze multidimensional time series, including functional magnetic resonance imaging (fMRI) data. It has been shown to be a useful characterization of fMRI data in health and disease. It…

Neurons and Cognition · Quantitative Biology 2024-08-21 Pitambar Khanra , Johan Nakuci , Sarah Muldoon , Takamitsu Watanabe , Naoki Masuda

Extreme Learning Machine (ELM) is an efficient and effective least-square-based learning algorithm for classification, regression problems based on single hidden layer feed-forward neural network (SLFN). It has been shown in the literature…

Machine Learning · Computer Science 2020-11-05 Ramesh Ragala , Bharadwaja kumar