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We introduce EvoFlows, a variable-length protein sequence-to-sequence modeling approach designed for protein engineering. Existing protein language models are poorly suited for optimization tasks: autoregressive models require full sequence…

机器学习 · 计算机科学 2026-04-09 Nicolas Deutschmann , Constance Ferragu , Jonathan D. Ziegler , Shayan Aziznejad , Eli Bixby

Particle-based Bayesian inference methods by sampling from a partition-free target (posterior) distribution, e.g., Stein variational gradient descent (SVGD), have attracted significant attention. We propose a path-guided particle-based…

机器学习 · 计算机科学 2024-12-05 Mingzhou Fan , Ruida Zhou , Chao Tian , Xiaoning Qian

Large-scale vision generative models, including diffusion and flow models, have demonstrated remarkable performance in visual generation tasks. However, transferring these pre-trained models to downstream tasks often results in significant…

计算机视觉与模式识别 · 计算机科学 2025-11-27 Changlin Li , Jiawei Zhang , Zeyi Shi , Zongxin Yang , Zhihui Li , Xiaojun Chang

Flux sampling is an analysis that, based on a distribution, picks randomly an efficient number of points from the solution space of a metabolic model. Unlike most constraint-based analyses, flux sampling does not require an objective…

分子网络 · 定量生物学 2026-04-01 Haris Zafeiropoulos , Daniel Rios Garza

Gaussian processes are a powerful framework for quantifying uncertainty and for sequential decision-making but are limited by the requirement of solving linear systems. In general, this has a cubic cost in dataset size and is sensitive to…

Flow-based generative models are composed of invertible transformations between two random variables of the same dimension. Therefore, flow-based models cannot be adequately trained if the dimension of the data distribution does not match…

计算机视觉与模式识别 · 计算机科学 2020-11-17 Hyeongju Kim , Hyeonseung Lee , Woo Hyun Kang , Joun Yeop Lee , Nam Soo Kim

Flow matching has shown state-of-the-art performance in various generative tasks, ranging from image generation to decision-making, where generation under energy guidance (abbreviated as guidance in the following) is pivotal. However, the…

机器学习 · 计算机科学 2025-05-27 Ruiqi Feng , Chenglei Yu , Wenhao Deng , Peiyan Hu , Tailin Wu

Rectified flow models have become a de facto standard in image generation due to their stable sampling trajectories and high-fidelity outputs. Despite their strong generative capabilities, they face critical limitations in image editing…

计算机视觉与模式识别 · 计算机科学 2025-10-31 Sung-Hoon Yoon , Minghan Li , Gaspard Beaudouin , Congcong Wen , Muhammad Rafay Azhar , Mengyu Wang

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…

机器学习 · 计算机科学 2026-05-08 Tyler Ingebrand , Ruihan Zhao , Kushagra Gupta , David Fridovich-Keil , Sandeep P. Chinchali , Ufuk Topcu

Traditional model-free feature selection methods treat each feature independently while disregarding the interrelationships among features, which leads to relatively poor performance compared with the model-aware methods. To address this…

机器学习 · 计算机科学 2025-06-10 Jianming Lv , Sijun Xia , Depin Liang , Wei Chen

Recently, 3D Gaussian Splatting has emerged as a promising approach for modeling 3D scenes using mixtures of Gaussians. The predominant optimization method for these models relies on backpropagating gradients through a differentiable…

计算机视觉与模式识别 · 计算机科学 2025-09-24 Toon Van de Maele , Ozan Catal , Alexander Tschantz , Christopher L. Buckley , Tim Verbelen

Subject of this paper is the simplification of Markov chain Monte Carlo sampling as used in Bayesian statistical inference by means of normalising flows, a machine learning method which is able to construct an invertible and differentiable…

宇宙学与河外天体物理 · 物理学 2025-04-24 Tobias Röspel , Adrian Schlosser , Björn Malte Schäfer

Data assimilation plays a crucial role in numerical modeling, enabling the integration of real-world observations into mathematical models to enhance the accuracy and predictive capabilities of simulations. This approach is widely applied…

数值分析 · 数学 2024-11-08 Alexander Lobbe , Dan Crisan , Oana Lang

We propose an efficient framework for amortized conditional inference by leveraging exact conditional score-guided diffusion models to train a non-reversible neural network as a conditional generative model. Traditional normalizing flow…

计算工程、金融与科学 · 计算机科学 2025-06-24 Zezhong Zhang , Caroline Tatsuoka , Dongbin Xiu , Guannan Zhang

Unlike the classical linear model, nonlinear generative models have been addressed sparsely in the literature of statistical learning. This work aims to bringing attention to these models and their secrecy potential. To this end, we invoke…

信息论 · 计算机科学 2022-07-15 Ali Bereyhi , Bruno Loureiro , Florent Krzakala , Ralf R. Müller , Hermann Schulz-Baldes

Robotic manipulation in unstructured environments requires the generation of robust and long-horizon trajectory-level policy with conditions of perceptual observations and benefits from the advantages of SE(3)-equivariant diffusion models…

机器人学 · 计算机科学 2025-09-30 Zhitao Wang , Yanke Wang , Jiangtao Wen , Roberto Horowitz , Yuxing Han

Generating a 3D point cloud from a single 2D image is of great importance for 3D scene understanding applications. To reconstruct the whole 3D shape of the object shown in the image, the existing deep learning based approaches use either…

计算机视觉与模式识别 · 计算机科学 2022-10-11 Yao Wei , George Vosselman , Michael Ying Yang

We propose a framework using normalizing-flow based models, SELF-Referencing Embedded Strings, and multi-objective optimization that efficiently generates small molecules. With an initial training set of only 100 small molecules, FastFlows…

化学物理 · 物理学 2022-02-01 Nathan C. Frey , Vijay Gadepally , Bharath Ramsundar

Modern vision generators transport a base distribution to data through time-indexed measures, implemented as deterministic flows (ODEs) or stochastic diffusions (SDEs). Despite strong empirical performance, standard flow-matching objectives…

机器学习 · 计算机科学 2026-02-27 Chika Maduabuchi

Recent advances in inverse problem solving have increasingly adopted flow priors over diffusion models due to their ability to construct straight probability paths from noise to data, thereby enhancing efficiency in both training and…

计算机视觉与模式识别 · 计算机科学 2025-11-11 Hossein Askari , Yadan Luo , Hongfu Sun , Fred Roosta
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