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Sampling from high-dimensional and structured probability distributions is a fundamental challenge in computational physics, particularly in the context of lattice field theory (LFT), where generating field configurations efficiently is…

Quantum Physics · Physics 2026-02-10 Jehu Martinez , Andrea Delgado

Generative Flow Networks (GFlowNets), a new family of probabilistic samplers, have recently emerged as a promising framework for learning stochastic policies that generate high-quality and diverse objects proportionally to their rewards.…

Machine Learning · Computer Science 2024-06-05 Chunhui Li , Cheng-Hao Liu , Dianbo Liu , Qingpeng Cai , Ling Pan

Grouping-based measurement strategies are widely used to reduce measurement complexity in near-term quantum algorithms. While these schemes have typically produced disjoint groups, recently this has been relaxed in what is known as…

Quantum Physics · Physics 2026-04-09 Jeremiah Rowland , Rahul Sarkar , Nicolas PD Sawaya , Norm M. Tubman , Ryan LaRose

Generative Flow Networks (GFlowNets) are a class of generative models that sample objects in proportion to a specified reward function through a learned policy. They can be trained either on-policy or off-policy, needing a balance between…

Machine Learning · Computer Science 2025-03-04 Dominic Phillips , Flaviu Cipcigan

Current discriminative depth estimation methods often produce blurry artifacts, while generative approaches suffer from slow sampling due to curvatures in the noise-to-depth transport. Our method addresses these challenges by framing depth…

Computer Vision and Pattern Recognition · Computer Science 2024-12-20 Ming Gui , Johannes Schusterbauer , Ulrich Prestel , Pingchuan Ma , Dmytro Kotovenko , Olga Grebenkova , Stefan Andreas Baumann , Vincent Tao Hu , Björn Ommer

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

This paper studies Generative Flow Networks (GFlowNets), which learn to sample objects proportionally to a given reward function through the trajectory of state transitions. In this work, we observe that GFlowNets tend to under-exploit the…

Machine Learning · Computer Science 2024-10-30 Hyosoon Jang , Yunhui Jang , Minsu Kim , Jinkyoo Park , Sungsoo Ahn

Generative Flow Networks (GFlowNets) are recently proposed models for learning stochastic policies that generate compositional objects by sequences of actions with the probability proportional to a given reward function. The central problem…

Machine Learning · Computer Science 2022-10-03 Anh Do , Duy Dinh , Tan Nguyen , Khuong Nguyen , Stanley Osher , Nhat Ho

In quantum many-body systems, measurements can induce qualitative new features, but their simulation is hindered by the exponential complexity involved in sampling the measurement results. We propose to use machine learning to assist the…

Quantum Physics · Physics 2024-12-03 Yuchen Zhu , Molei Tao , Yuebo Jin , Xie Chen

While generative modeling has achieved remarkable success on tasks like natural language-conditioned image generation, enabling model adaptation from example data points remains a relatively underexplored and challenging problem. To this…

Machine Learning · Computer Science 2026-05-08 Tyler Ingebrand , Ruihan Zhao , Kushagra Gupta , David Fridovich-Keil , Sandeep P. Chinchali , Ufuk Topcu

We present energy-based generative flow networks (EB-GFN), a novel probabilistic modeling algorithm for high-dimensional discrete data. Building upon the theory of generative flow networks (GFlowNets), we model the generation process by a…

Machine Learning · Computer Science 2022-06-10 Dinghuai Zhang , Nikolay Malkin , Zhen Liu , Alexandra Volokhova , Aaron Courville , Yoshua Bengio

We introduce a new paradigm for generative modeling built on Continuous Normalizing Flows (CNFs), allowing us to train CNFs at unprecedented scale. Specifically, we present the notion of Flow Matching (FM), a simulation-free approach for…

Machine Learning · Computer Science 2023-02-09 Yaron Lipman , Ricky T. Q. Chen , Heli Ben-Hamu , Maximilian Nickel , Matt Le

Many crucial scientific problems involve designing novel molecules with desired properties, which can be formulated as a black-box optimization problem over the discrete chemical space. In practice, multiple conflicting objectives and…

Machine Learning · Computer Science 2023-11-03 Yiheng Zhu , Jialu Wu , Chaowen Hu , Jiahuan Yan , Chang-Yu Hsieh , Tingjun Hou , Jian Wu

We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic…

Machine Learning · Computer Science 2024-03-12 Dinghuai Zhang , Ricky T. Q. Chen , Cheng-Hao Liu , Aaron Courville , Yoshua Bengio

We present GFlowState, a visual analytics system designed to illuminate the training process of Generative Flow Networks (GFlowNets or GFNs). GFlowNets are a probabilistic framework for generating samples proportionally to a reward…

Machine Learning · Computer Science 2026-04-24 Florian Holeczek , Andreas Hinterreiter , Alex Hernandez-Garcia , Marc Streit , Christina Humer

Many real-world applications of flow-based generative models desire a diverse set of samples that cover multiple modes of the target distribution. However, the predominant approach for obtaining diverse sets is not sample-efficient, as it…

Machine Learning · Computer Science 2025-04-11 Mashrur M. Morshed , Vishnu Boddeti

We present two novel generative geometric deep learning frameworks, termed Flow Matching PointNet and Diffusion PointNet, for predicting fluid flow variables on irregular geometries by incorporating PointNet into flow matching and diffusion…

Computer Vision and Pattern Recognition · Computer Science 2026-01-13 Ali Kashefi

Obtaining the expectation value of an observable on a quantum computer is a crucial step in the variational quantum algorithms. For complicated observables such as molecular electronic Hamiltonians, a common strategy is to present the…

Quantum Physics · Physics 2022-04-20 Tzu-Ching Yen , Aadithya Ganeshram , Artur F. Izmaylov

Hybrid quantum-classical algorithms like the variational quantum eigensolver (VQE) show promise for quantum simulations on near-term quantum devices, but are often limited by complex objective functions and expensive optimization…

Quantum Physics · Physics 2026-01-21 Hang Zou , Martin Rahm , Anton Frisk Kockum , Simon Olsson

Distributed quantum machine learning faces significant challenges due to heterogeneous client data and variations in local model structures, which hinder global model aggregation. To address these challenges, we propose a knowledge…

Quantum Physics · Physics 2025-09-23 Kai Yu , Binbin Cai , Song Lin