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Inverse ellipsometry, i.e., reconstructing optical constants and film thickness from the measured phase difference $\Delta$ and amplitude ratio $\Psi$, is a fundamentally ill-posed problem. Traditional solutions rely on slow, expert-driven…

Machine Learning · Computer Science 2026-03-20 Yiming Ma , Jianzhi Teng , Xinjie Li , Xin Sun , Zhiyong Wang , Yuzhou Song , Lionel Z. Wang , Bin Chen

Flow matching (FM) trains a time-dependent vector field that transports samples from a simple prior to a complex data distribution. However, for high-dimensional images, each training sample supervises only a single trajectory and…

Computer Vision and Pattern Recognition · Computer Science 2026-05-04 George Stoica , Sayak Paul , Matthew Wallingford , Vivek Ramanujan , Abhay Nori , Winson Han , Ali Farhadi , Ranjay Krishna , Judy Hoffman

Data assimilation (DA) estimates a dynamical system's state from noisy observations. Recent generative models like the ensemble score filter (EnSF) improve DA in high-dimensional nonlinear settings but are computationally expensive. We…

Machine Learning · Statistics 2025-09-30 Taos Transue , Bohan Chen , So Takao , Bao Wang

Controlling generative models is computationally expensive. This is because optimal alignment with a reward function--whether via inference-time steering or fine-tuning--requires estimating the value function. This task demands access to…

Machine Learning · Statistics 2026-01-22 Peter Potaptchik , Adhi Saravanan , Abbas Mammadov , Alvaro Prat , Michael S. Albergo , Yee Whye Teh

Flow Matching is a powerful framework for learning transport maps between probability distributions. Yet its standard single-parameter formulation is not designed to capture multi-parameter variations where the resulting transport should be…

Existing generative models for time series forecasting often transform simple priors (typically Gaussian) into complex data distributions. However, their sampling initialization, independent of historical data, hinders the capture of…

Machine Learning · Computer Science 2025-08-12 Huibo Xu , Runlong Yu , Likang Wu , Xianquan Wang , Qi Liu

We provide a theoretical analysis for end-to-end training Discrete Flow Matching (DFM) generative models. DFM is a promising discrete generative modeling framework that learns the underlying generative dynamics by training a neural network…

Machine Learning · Computer Science 2025-09-29 Maojiang Su , Mingcheng Lu , Jerry Yao-Chieh Hu , Shang Wu , Zhao Song , Alex Reneau , Han Liu

The use of guidance to steer sampling toward desired outcomes has been widely explored within diffusion models, especially in applications such as image and trajectory generation. However, incorporating guidance during training remains…

Machine Learning · Computer Science 2025-05-21 Marvin Alles , Nutan Chen , Patrick van der Smagt , Botond Cseke

Flow matching (FM) is a general framework for defining probability paths via Ordinary Differential Equations (ODEs) to transform between noise and data samples. Recent approaches attempt to straighten these flow trajectories to generate…

Computer Vision and Pattern Recognition · Computer Science 2024-07-03 Ling Yang , Zixiang Zhang , Zhilong Zhang , Xingchao Liu , Minkai Xu , Wentao Zhang , Chenlin Meng , Stefano Ermon , Bin Cui

Energy-based models (EBMs) are powerful probabilistic models, but suffer from intractable sampling and density evaluation due to the partition function. As a result, inference in EBMs relies on approximate sampling algorithms, leading to a…

Machine Learning · Computer Science 2020-01-10 Dieterich Lawson , George Tucker , Bo Dai , Rajesh Ranganath

Sampling equilibrium molecular configurations from the Boltzmann distribution is a longstanding challenge. Boltzmann Generators (BGs) address this by combining exact-likelihood generative models with importance sampling, but practical…

Machine Learning · Computer Science 2026-05-29 Weilong Chen , Bojun Zhao , Jan Eckwert , Julija Zavadlav

Modeling transformations between arbitrary data distributions is a fundamental scientific challenge, arising in applications like drug discovery and evolutionary simulation. While flow matching offers a natural framework for this task, its…

Machine Learning · Computer Science 2025-10-09 Shiye Su , Yuhui Zhang , Linqi Zhou , Rajesh Ranganath , Serena Yeung-Levy

Cross-entropy (CE) training provides dense and scalable supervision for language models, but it optimizes next-token prediction under teacher forcing rather than sequence-level behavior under model rollouts. We introduce a feature-matching…

Machine Learning · Computer Science 2026-03-17 Samy Jelassi , Mujin Kwun , Rosie Zhao , Yuanzhi Li , Nicolo Fusi , Yilun Du , Sham M. Kakade , Carles Domingo-Enrich

Cryo-electron microscopy (cryo-EM) is a powerful technique in structural biology and drug discovery, enabling the study of biomolecules at high resolution. Significant advancements by structural biologists using cryo-EM have led to the…

Biomolecules · Quantitative Biology 2024-12-05 Yi Zhou , Yilai Li , Jing Yuan , Quanquan Gu

By chaining a sequence of differentiable invertible transformations, normalizing flows (NF) provide an expressive method of posterior approximation, exact density evaluation, and sampling. The trend in normalizing flow literature has been…

Machine Learning · Computer Science 2020-10-20 Robert Giaquinto , Arindam Banerjee

Graph-structured data jointly contain discrete topology and continuous geometry, which poses fundamental challenges for generative modeling due to heterogeneous distributions, incompatible noise dynamics, and the need for equivariant…

Machine Learning · Computer Science 2026-04-10 Rongjian Xu , Teng Pang , Zhiqiang Dong , Guoqiang Wu

Flow Matching has emerged as a powerful framework for learning continuous transformations between distributions, enabling high-fidelity generative modeling. This work introduces Symmetrical Flow Matching (SymmFlow), a new formulation that…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Francisco Caetano , Christiaan Viviers , Peter H. N. De With , Fons van der Sommen

Flow Matching has recently emerged as a popular class of generative models for simulating a target distribution $\mu_1$ from samples drawn from a source distribution $\mu_0$. This framework relies on a fixed coupling between $\mu_0$ and…

Machine Learning · Computer Science 2026-05-12 Le-Tuyet-Nhi Pham , Giovanni Conforti , Zhenjie Ren , Alain Durmus

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

Energy-Based Models (EBMs), also known as non-normalized probabilistic models, specify probability density or mass functions up to an unknown normalizing constant. Unlike most other probabilistic models, EBMs do not place a restriction on…

Machine Learning · Computer Science 2021-02-19 Yang Song , Diederik P. Kingma