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The vast applications of deep generative models are anchored in three core capabilities -- generating new instances, reconstructing inputs, and learning compact representations -- across various data types, such as discrete text/protein…

Machine Learning · Computer Science 2024-06-06 Guangyi Liu , Yu Wang , Zeyu Feng , Qiyu Wu , Liping Tang , Yuan Gao , Zhen Li , Shuguang Cui , Julian McAuley , Zichao Yang , Eric P. Xing , Zhiting Hu

Energy is a limited resource which has to be managed wisely, taking into account both supply-demand matching and capacity constraints in the distribution grid. One aspect of the smart energy management at the building level is given by the…

Machine Learning · Statistics 2016-05-09 Elena Mocanu , Phuong H. Nguyen , Madeleine Gibescu

Diffusion models are a powerful tool for probabilistic forecasting, yet most applications in high-dimensional complex systems predict future states individually. This approach struggles to model complex temporal dependencies and fails to…

Machine Learning · Computer Science 2025-12-10 Salva Rühling Cachay , Miika Aittala , Karsten Kreis , Noah Brenowitz , Arash Vahdat , Morteza Mardani , Rose Yu

While diffusion models can learn complex distributions, sampling requires a computationally expensive iterative process. Existing distillation methods enable efficient sampling, but have notable limitations, such as performance degradation…

Machine Learning · Computer Science 2024-12-09 Sirui Xie , Zhisheng Xiao , Diederik P Kingma , Tingbo Hou , Ying Nian Wu , Kevin Patrick Murphy , Tim Salimans , Ben Poole , Ruiqi Gao

Synthetic data generation is a promising solution to address privacy issues with the distribution of sensitive health data. Recently, diffusion models have set new standards for generative models for different data modalities. Also very…

Signal Processing · Electrical Eng. & Systems 2023-06-16 Juan Miguel Lopez Alcaraz , Nils Strodthoff

The paper by No\'e et al. [F. No\'e, S. Olsson, J. K\"ohler and H. Wu, Science, 365:6457 (2019)] introduced the concept of Boltzmann Generators (BGs), a deep generative model that can produce unbiased independent samples of many-body…

Maximum likelihood (ML) learning for energy-based models (EBMs) is challenging, partly due to non-convergence of Markov chain Monte Carlo.Several variations of ML learning have been proposed, but existing methods all fail to achieve both…

Machine Learning · Statistics 2023-04-24 Xinwei Zhang , Zhiqiang Tan , Zhijian Ou

The accurate prediction of phase diagrams is of central importance for both the fundamental understanding of materials as well as for technological applications in material sciences. However, the computational prediction of the relative…

Statistical Mechanics · Physics 2024-11-26 Maximilian Schebek , Michele Invernizzi , Frank Noé , Jutta Rogal

Generative models have attracted considerable attention for speech separation tasks, and among these, diffusion-based methods are being explored. Despite the notable success of diffusion techniques in generation tasks, their adaptation to…

Audio and Speech Processing · Electrical Eng. & Systems 2025-01-28 Jinwei Dong , Xinsheng Wang , Qirong Mao

Estimation of Distribution Algorithms (EDAs) require flexible probability models that can be efficiently learned and sampled. Deep Boltzmann Machines (DBMs) are generative neural networks with these desired properties. We integrate a DBM…

Neural and Evolutionary Computing · Computer Science 2016-08-09 Malte Probst , Franz Rothlauf

In this work, we consider the problem of training a generator from evaluations of energy functions or unnormalized densities. This is a fundamental problem in probabilistic inference, which is crucial for scientific applications such as…

Machine Learning · Computer Science 2024-08-30 Dongyeop Woo , Sungsoo Ahn

Latent space Energy-Based Models (EBMs), also known as energy-based priors, have drawn growing interests in generative modeling. Fueled by its flexibility in the formulation and strong modeling power of the latent space, recent works built…

Machine Learning · Computer Science 2023-10-06 Peiyu Yu , Sirui Xie , Xiaojian Ma , Baoxiong Jia , Bo Pang , Ruiqi Gao , Yixin Zhu , Song-Chun Zhu , Ying Nian Wu

Guidance techniques are commonly used in diffusion and flow models to improve image quality and input consistency for conditional generative tasks such as class-conditional and text-to-image generation. In particular, classifier-free…

Computer Vision and Pattern Recognition · Computer Science 2025-12-01 Tariq Berrada Ifriqi , Adriana Romero-Soriano , Michal Drozdzal , Jakob Verbeek , Karteek Alahari

Neural decoding from electroencephalography (EEG) remains fundamentally limited by poor generalization to unseen subjects, driven by high inter-subject variability and the lack of large-scale datasets to model it effectively. Existing…

Machine Learning · Computer Science 2025-11-25 Mengchun Zhang , Kateryna Shapovalenko , Yucheng Shao , Eddie Guo , Parusha Pradhan

Many DNN-enabled vision applications constantly operate under severe energy constraints such as unmanned aerial vehicles, Augmented Reality headsets, and smartphones. Designing DNNs that can meet a stringent energy budget is becoming…

Machine Learning · Computer Science 2019-04-09 Haichuan Yang , Yuhao Zhu , Ji Liu

Electron Backscatter Diffraction (EBSD) is a technique to obtain microcrystallographic information from materials by collecting large-angle Kikuchi patterns in the scanning electron microscope (SEM). An important fundamental question…

Materials Science · Physics 2019-03-06 Aimo Winkelmann , T. Ben Britton , Gert Nolze

Energy-Based Models (EBMs) have been widely used for generative modeling. Contrastive Divergence (CD), a prevailing training objective for EBMs, requires sampling from the EBM with Markov Chain Monte Carlo methods (MCMCs), which leads to an…

Machine Learning · Computer Science 2023-07-06 Weijian Luo , Hao Jiang , Tianyang Hu , Jiacheng Sun , Zhenguo Li , Zhihua Zhang

Energy-based models are a simple yet powerful class of probabilistic models, but their widespread adoption has been limited by the computational burden of training them. We propose a novel loss function called Energy Discrepancy (ED) which…

Machine Learning · Statistics 2023-11-28 Tobias Schröder , Zijing Ou , Jen Ning Lim , Yingzhen Li , Sebastian J. Vollmer , Andrew B. Duncan

Inferring transient molecular structural dynamics from diffraction data is an ambiguous task that often requires different approximation methods. In this paper we present an attempt to tackle this problem using machine learning. While most…

Chemical Physics · Physics 2023-08-09 Hazem Daoud , Dhruv Sirohi , Endri Mjeku , John Feng , Saeed Oghbaey , R. J. Dwayne Miller

In recent years, diffusion models trained on equilibrium molecular distributions have proven effective for sampling biomolecules. Beyond direct sampling, the score of such a model can also be used to derive the forces that act on molecular…

Machine Learning · Computer Science 2026-01-15 Michael Plainer , Hao Wu , Leon Klein , Stephan Günnemann , Frank Noé