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Neural network force field (NNFF) is a method for performing regression on atomic structure-force relationships, bypassing expensive quantum mechanics calculation which prevents the execution of long ab-initio quality molecular dynamics…

Binary Neural Networks (BNNs) can significantly accelerate the inference time of a neural network by replacing its expensive floating-point arithmetic with bitwise operations. Most existing solutions, however, do not fully optimize data…

Machine Learning · Computer Science 2023-04-04 L. Vorabbi , D. Maltoni , S. Santi

We propose a novel learning framework using neural mean-field (NMF) dynamics for inference and estimation problems on heterogeneous diffusion networks. Our new framework leverages the Mori-Zwanzig formalism to obtain an exact evolution…

Machine Learning · Computer Science 2021-06-07 Shushan He , Hongyuan Zha , Xiaojing Ye

Normalizing flow (NF) has gained popularity over traditional maximum likelihood based methods due to its strong capability to model complex data distributions. However, the standard approach, which maps the observed data to a normal…

Machine Learning · Computer Science 2022-11-22 Hanze Dong , Shizhe Diao , Weizhong Zhang , Tong Zhang

Methods based on Deep Learning have recently been applied on astrophysical parameter recovery thanks to their ability to capture information from complex data. One of these methods is the approximate Bayesian Neural Networks (BNNs) which…

Instrumentation and Methods for Astrophysics · Physics 2023-06-21 Héctor J. Hortúa , Luz Ángela García , Leonardo Castañeda C

One-step generative modeling seeks to generate high-quality data samples in a single function evaluation, significantly improving efficiency over traditional diffusion or flow-based models. In this work, we introduce Modular MeanFlow (MMF),…

Machine Learning · Computer Science 2025-08-26 Haochen You , Baojing Liu , Hongyang He

The two-dimensional Hubbard model at finite doping hosts competing or intertwined orders, resulting in conflicting conclusions from different computational approaches regarding its ground state. We show that a key source of such…

Strongly Correlated Electrons · Physics 2026-04-27 Luciano Loris Viteritti , Riccardo Rende , Christopher Roth , Anirvan Sengupta , Giuseppe Carleo , Antoine Georges

We present an efficient deep learning technique for the model reduction of the Navier-Stokes equations for unsteady flow problems. The proposed technique relies on the Convolutional Neural Network (CNN) and the stochastic gradient descent…

Fluid Dynamics · Physics 2018-08-16 Tharindu P. Miyanawala , Rajeev K. Jaiman

Deep neural networks have become a highly accurate and powerful wavefunction ansatz in combination with variational Monte Carlo methods for solving the electronic Schr\"odinger equation. However, despite their success and favorable scaling,…

Computational Physics · Physics 2023-03-20 Michael Scherbela , Leon Gerard , Philipp Grohs

We propose a hybrid variational framework that enhances Neural Quantum States (NQS) with a Normalising Flow-based sampler to improve the expressivity and trainability of quantum many-body wavefunctions. Our approach decouples the sampling…

Quantum Physics · Physics 2025-06-17 Vishal S. Ngairangbam , Michael Spannowsky , Timur Sypchenko

Variational wave function ansatze are an invaluable tool to study the properties of strongly correlated systems. We propose such a wave function, based on the theory of auxiliary fields and combining aspects of auxiliary-field quantum Monte…

Strongly Correlated Electrons · Physics 2024-03-13 Ryan Levy , Miguel A. Morales , Shiwei Zhang

Neural Scene Flow Prior (NSFP) and Fast Neural Scene Flow (FNSF) have shown remarkable adaptability in the context of large out-of-distribution autonomous driving. Despite their success, the underlying reasons for their astonishing…

Computer Vision and Pattern Recognition · Computer Science 2024-03-26 Dongrui Liu , Daqi Liu , Xueqian Li , Sihao Lin , Hongwei xie , Bing Wang , Xiaojun Chang , Lei Chu

Neural Scene Flow Prior (NSFP) is of significant interest to the vision community due to its inherent robustness to out-of-distribution (OOD) effects and its ability to deal with dense lidar points. The approach utilizes a coordinate neural…

Computer Vision and Pattern Recognition · Computer Science 2023-08-30 Xueqian Li , Jianqiao Zheng , Francesco Ferroni , Jhony Kaesemodel Pontes , Simon Lucey

Normalizing Flows (NFs) are likelihood-based models for continuous inputs. They have demonstrated promising results on both density estimation and generative modeling tasks, but have received relatively little attention in recent years. In…

Computer Vision and Pattern Recognition · Computer Science 2025-06-09 Shuangfei Zhai , Ruixiang Zhang , Preetum Nakkiran , David Berthelot , Jiatao Gu , Huangjie Zheng , Tianrong Chen , Miguel Angel Bautista , Navdeep Jaitly , Josh Susskind

Concept-based (CB) models provide interpretability and support test-time human intervention, while standard neural networks (NN) offer strong task performance but little transparency. Prior work has explored hybrid formulations that…

Computer Vision and Pattern Recognition · Computer Science 2026-05-21 Tores Julie , Sun Rémy , Sassatelli Lucile , Ancarani Elisa , Wu Hui-Yin , Precioso Frédéric

We propose a principled and effective framework for one-step generative modeling. We introduce the notion of average velocity to characterize flow fields, in contrast to instantaneous velocity modeled by Flow Matching methods. A…

Machine Learning · Computer Science 2025-05-20 Zhengyang Geng , Mingyang Deng , Xingjian Bai , J. Zico Kolter , Kaiming He

Neural Forecasters (NFs) have become a cornerstone of Long-term Time Series Forecasting (LTSF). However, recent progress has been hampered by an overemphasis on architectural complexity at the expense of fundamental forecasting structures.…

Machine Learning · Computer Science 2026-05-15 Yihang Lu , Xianwei Meng , Enhong Chen

The evolution of fifth generation (5G) wireless communication networks has led to an increased need for wireless resource management solutions that provide higher data rates, wide coverage, low latency, and power efficiency. Yet, many of…

Information Theory · Computer Science 2024-06-13 Cemil Vahapoglu , Timothy J. O'Shea , Tamoghna Roy , Sennur Ulukus

Normalizing Flows (NFs) are a class of generative models distinguished by a mathematically invertible architecture, where the forward pass transforms data into a latent space for density estimation, and the reverse pass generates new…

Computer Vision and Pattern Recognition · Computer Science 2025-12-05 Yang Chen , Xiaowei Xu , Shuai Wang , Chenhui Zhu , Ruxue Wen , Xubin Li , Tiezheng Ge , Limin Wang

Sampling from unnormalised discrete distributions is a fundamental problem across various domains. While Markov chain Monte Carlo offers a principled approach, it often suffers from slow mixing and poor convergence. In this paper, we…

Machine Learning · Computer Science 2025-10-23 Zijing Ou , Ruixiang Zhang , Yingzhen Li