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Reconstructing dynamical evolution from limited observations is a fundamental challenge in single-cell biology, where dynamic unbalanced optimal transport provides a principled framework for modeling coupled transport and mass variation.…

Machine Learning · Computer Science 2026-01-29 Xinyu Wang , Ruoyu Wang , Qiangwei Peng , Peijie Zhou , Tiejun Li

Continuous normalizing flows (CNFs) learn the probability path between a reference distribution and a target distribution by modeling the vector field generating said path using neural networks. Recently, Lipman et al. (2022) introduced a…

Methodology · Statistics 2024-10-29 Alberto Cabezas , Louis Sharrock , Christopher Nemeth

This paper introduces OptiGridML, a machine learning framework for discrete topology optimization in power grids. The task involves selecting substation breaker configurations that maximize cross-region power exports, a problem typically…

Machine Learning · Computer Science 2025-08-05 Dekang Meng , Rabab Haider , Pascal van Hentenryck

Traditionally, CNN models possess hierarchical structures and utilize the feature mapping of the last layer to obtain the prediction output. However, it can be difficulty to settle the optimal network depth and make the middle layers learn…

Computer Vision and Pattern Recognition · Computer Science 2021-07-14 Zhicheng Cai

We propose Alternating Phase-Field Fourier Neural Networks (APF-FNNs) as a unified and physics-based framework for topology optimization. The approach decouples the design problem by representing the state, adjoint, and topology fields with…

Optimization and Control · Mathematics 2026-01-27 Jing Li , Xindi Hu , Helin Gong , Wei Gong , Shengfeng Zhu

Diffusion and flow models have become the dominant paradigm for generative modeling on Riemannian manifolds, with successful applications in protein backbone generation and DNA sequence design. However, these methods require tens to…

Machine Learning · Computer Science 2026-05-04 Dongyeop Woo , Marta Skreta , Seonghyun Park , Kirill Neklyudov , Sungsoo Ahn

Graph Neural Networks (GNNs) excel in handling graph-structured data but often underperform in link prediction tasks compared to classical methods, mainly due to the limitations of the commonly used message-passing principle. Notably, their…

Machine Learning · Computer Science 2025-02-18 Niloofar Azizi , Nils Kriege , Horst Bischof

We propose ReinFlow, a simple yet effective online reinforcement learning (RL) framework that fine-tunes a family of flow matching policies for continuous robotic control. Derived from rigorous RL theory, ReinFlow injects learnable noise…

Robotics · Computer Science 2026-01-09 Tonghe Zhang , Chao Yu , Sichang Su , Yu Wang

One-step generative modeling has emerged as a leading approach to amortize the inference cost of diffusion and flow-matching models. Among distillation-free methods, MeanFlow training is notoriously unstable, with non-decreasing loss and…

Machine Learning · Computer Science 2026-05-12 Juanwu Lu , Ziran Wang

We propose a new neural network framework, termed Neural Network Machine Regression (NNMR), which integrates trainable input gating and adaptive depth regularization to jointly perform feature selection and function estimation in an…

Methodology · Statistics 2026-02-03 Jiuchen Zhang , Ling Zhou , Peter Song

This paper introduces a Bayesian framework that combines Markov chain Monte Carlo (MCMC) sampling, dimensionality reduction, and neural density estimation to efficiently handle inverse problems that (i) must be solved multiple times, and…

Computational Engineering, Finance, and Science · Computer Science 2026-02-24 Giacomo Bottacini , Matteo Torzoni , Andrea Manzoni

We consider shallow (single hidden layer) neural networks and characterize their performance when trained with stochastic gradient descent as the number of hidden units $N$ and gradient descent steps grow to infinity. In particular, we…

Machine Learning · Statistics 2022-06-02 Jiahui Yu , Konstantinos Spiliopoulos

Normalising flows (NFS) map two density functions via a differentiable bijection whose Jacobian determinant can be computed efficiently. Recently, as an alternative to hand-crafted bijections, Huang et al. (2018) proposed neural…

Machine Learning · Statistics 2019-04-10 Nicola De Cao , Ivan Titov , Wilker Aziz

Boltzmann Generators have emerged as a promising machine learning tool for generating samples from equilibrium distributions of molecular systems using Normalizing Flows and importance weighting. Recently, Flow Matching has helped speed up…

Machine Learning · Statistics 2025-10-21 Lorenz Vaitl , Leon Klein

We propose a novel learning framework based on neural mean-field dynamics for inference and estimation problems of diffusion on networks. Our new framework is derived from the Mori-Zwanzig formalism to obtain an exact evolution of the node…

Machine Learning · Computer Science 2021-01-20 Shushan He , Hongyuan Zha , Xiaojing Ye

The Reflow operation aims to straighten the inference trajectories of the rectified flow during training by constructing deterministic couplings between noises and images, thereby improving the quality of generated images in single-step or…

Computer Vision and Pattern Recognition · Computer Science 2025-07-15 Jimin Dai , Jiexi Yan , Jian Yang , Lei Luo

Flow-based image generative models exhibit stable training and produce high quality samples when using multi-step sampling procedures. One-step generative models can produce high quality image samples but can be difficult to optimize as…

Machine Learning · Computer Science 2026-04-13 Chia-Hong Hsu , Frank Wood

The scalability of continuous normalizing flows (CNFs) for unbiased Boltzmann sampling remains limited in high-dimensional systems due to the cost of Jacobian-determinant evaluation, which requires $D$ backpropagation passes through the…

Machine Learning · Computer Science 2026-01-30 Xin Peng , Ang Gao

Modern reinforcement learning (RL) algorithms have found success by using powerful probabilistic models, such as transformers, energy-based models, and diffusion/flow-based models. To this end, RL researchers often choose to pay the price…

Machine Learning · Computer Science 2025-06-05 Raj Ghugare , Benjamin Eysenbach

Neural network binarization accelerates deep models by quantizing their weights and activations into 1-bit. However, there is still a huge performance gap between Binary Neural Networks (BNNs) and their full-precision (FP) counterparts. As…

Computer Vision and Pattern Recognition · Computer Science 2022-07-19 Yuzhang Shang , Dan Xu , Ziliang Zong , Liqiang Nie , Yan Yan