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The generation of equilibrium samples of molecular systems has been a long-standing problem in statistical physics. Boltzmann Generators are a generative machine learning method that addresses this issue by learning a transformation via a…

Machine Learning · Statistics 2025-02-04 Leon Klein , Frank Noé

The prevalence of missing values in data science poses a substantial risk to any further analyses. Despite a wealth of research, principled nonparametric methods to deal with general non-monotone missingness are still scarce. Instead,…

Machine Learning · Statistics 2026-05-04 Gitte Kremling , Jeffrey Näf , Johannes Lederer

Normalizing flows are a popular class of models for approximating probability distributions. However, their invertible nature limits their ability to model target distributions whose support have a complex topological structure, such as…

Machine Learning · Statistics 2022-02-25 Vincent Stimper , Bernhard Schölkopf , José Miguel Hernández-Lobato

As a probabilistic modeling technique, the flow-based model has demonstrated remarkable potential in the field of lossless compression \cite{idf,idf++,lbb,ivpf,iflow},. Compared with other deep generative models (eg. Autoregressive, VAEs)…

Computer Vision and Pattern Recognition · Computer Science 2022-08-29 Yi-chong Xia , Bin Chen , Yan Feng , Tian-shuo Ge

Building efficient and effective generative models for neural network weights has been a research focus of significant interest that faces challenges posed by the high-dimensional weight spaces of modern neural networks and their…

Machine Learning · Computer Science 2026-05-01 Saumya Gupta , Scott Biggs , Moritz Laber , Zohair Shafi , Robin Walters , Ayan Paul

In this work, we propose a non-parametric probabilistic load flow (NP-PLF) technique based on the Gaussian Process (GP) learning to understand the power system behavior under uncertainty for better operational decisions. The technique can…

Systems and Control · Electrical Eng. & Systems 2020-03-19 Parikshit Pareek , Chuan Wang , Hung D. Nguyen

Energy-based models (EBMs) are a powerful class of probabilistic generative models due to their flexibility and interpretability. However, relationships between potential flows and explicit EBMs remain underexplored, while contrastive…

Learning causal relationships between variables is a well-studied problem in statistics, with many important applications in science. However, modeling real-world systems remain challenging, as most existing algorithms assume that the…

Learning-based approaches are increasingly leveraged to manage and coordinate the operation of grid-edge resources in active power distribution networks. Among these, model-based techniques stand out for their superior data efficiency and…

Systems and Control · Electrical Eng. & Systems 2025-05-01 Daniel Glover , Parikshit Pareek , Deepjyoti Deka , Anamika Dubey

In this paper, we propose Continuous Graph Flow, a generative continuous flow based method that aims to model complex distributions of graph-structured data. Once learned, the model can be applied to an arbitrary graph, defining a…

Machine Learning · Computer Science 2019-10-01 Zhiwei Deng , Megha Nawhal , Lili Meng , Greg Mori

Graph neural networks (GNNs) have recently exploded in popularity thanks to their broad applicability to graph-related problems such as quantum chemistry, drug discovery, and high energy physics. However, meeting demand for novel GNN models…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-10-20 Rishov Sarkar , Stefan Abi-Karam , Yuqi He , Lakshmi Sathidevi , Cong Hao

Flow models are a cornerstone of modern machine learning. They are generative models that progressively transform probability distributions according to learned dynamics. Specifically, they learn a continuous-time Markov process that…

Quantum Physics · Physics 2025-10-10 David Layden , Ryan Sweke , Vojtěch Havlíček , Anirban Chowdhury , Kirill Neklyudov

Deep generative modeling has seen impressive advances in recent years, to the point where it is now commonplace to see simulated samples (e.g., images) that closely resemble real-world data. However, generation quality is generally…

Machine Learning · Computer Science 2021-06-08 Abdul Fatir Ansari , Ming Liang Ang , Harold Soh

The performance of flow matching and diffusion models can be greatly improved at inference time using reward alignment algorithms, yet efficiency remains a major limitation. While several algorithms were proposed, we demonstrate that a…

Machine Learning · Computer Science 2026-02-12 Peter Holderrieth , Uriel Singer , Tommi Jaakkola , Ricky T. Q. Chen , Yaron Lipman , Brian Karrer

Diffusion language models (DLMs) promise parallel, order-agnostic generation, but on standard benchmarks they have historically lagged behind autoregressive models in sample quality and diversity. Recent continuous flow and diffusion…

Computation and Language · Computer Science 2026-05-11 Georgios Batzolis , Mark Girolami , Luca Ambrogioni

The Holomorphic Embedding Load flow Method (HELM) employs complex analysis to solve the load flow problem. It guarantees finding the correct solution when it exists, and identifying when a solution does not exist. The method, however, is…

Optimization and Control · Mathematics 2020-02-27 Majid Heidarifar , Panagiotis Andrianesis , Michael Caramanis

Bayesian neural networks (BNNs) provide a formalism to quantify and calibrate uncertainty in deep learning. Current inference approaches for BNNs often resort to few-sample estimation for scalability, which can harm predictive performance,…

Machine Learning · Computer Science 2024-02-14 Zhe Zeng , Guy Van den Broeck

Simulating turbulent fluid flows is a computationally prohibitive task, as it requires the resolution of fine-scale structures and the capture of complex nonlinear interactions across multiple scales. This is particularly the case in direct…

Fluid Dynamics · Physics 2026-04-22 Ismaël Zighed , Nicolas Thome , Patrick Gallinari , Taraneh Sayadi

Generative modeling provides a powerful framework for learning data distributions. These models initially relied on probabilistic methods such as Gaussian Processes (GP) for uncertainty-aware predictions and shifted towards larger trainable…

Drawing from the theory of stochastic differential equations, we introduce a novel sampling method for known distributions and a new algorithm for diffusion generative models with unknown distributions. Our approach is inspired by the…

Statistics Theory · Mathematics 2024-07-12 Xicheng Zhang