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Geometric representation-conditioned molecule generation provides an effective paradigm that decouples molecule representation modeling from structure generation. By decoupling molecule generation into two stages-first generating a…

Machine Learning · Computer Science 2026-05-11 Shaoheng Yan , Zian Li , Cai Zhou , Qiaojing Huang , Kai Liu , Muhan Zhang

We study the problem of finding the best linear model that can minimize least-squares loss given a data-set. While this problem is trivial in the low dimensional regime, it becomes more interesting in high dimensions where the population…

Machine Learning · Computer Science 2021-02-09 Yahya Sattar , Samet Oymak

Probabilistic Graphical Models (PGMs) are generative models of complex systems. They rely on conditional independence assumptions between variables to learn sparse representations which can be visualized in a form of a graph. Such models…

Machine Learning · Computer Science 2022-10-13 Harsh Shrivastava , Urszula Chajewska , Robin Abraham , Xinshi Chen

In the context of dynamic emission tomography, the conventional processing pipeline consists of independent image reconstruction of single time frames, followed by the application of a suitable kinetic model to time activity curves (TACs)…

Applications · Statistics 2018-08-28 Michele Scipioni , Stefano Pedemonte , Maria Filomena Santarelli , Luigi Landini

Generative models that satisfy hard constraints are critical in many scientific and engineering applications, where physical laws or system requirements must be strictly respected. Many existing constrained generative models, especially…

Machine Learning · Computer Science 2025-03-05 Chaoran Cheng , Boran Han , Danielle C. Maddix , Abdul Fatir Ansari , Andrew Stuart , Michael W. Mahoney , Yuyang Wang

We present two effective methods for solving high-dimensional partial differential equations (PDE) based on randomized neural networks. Motivated by the universal approximation property of this type of networks, both methods extend the…

Numerical Analysis · Mathematics 2023-09-14 Yiran Wang , Suchuan Dong

In this paper, we propose a nonlinear probabilistic generative model of Koopman mode decomposition based on an unsupervised Gaussian process. Existing data-driven methods for Koopman mode decomposition have focused on estimating the…

Machine Learning · Statistics 2023-02-01 Takahiro Kawashima , Hideitsu Hino

Score-based generative models (SGMs) have recently shown promising results for image reconstruction on simulated positron emission tomography (PET) datasets. In this work we have developed and implemented practical methodology for 3D image…

A widely used approach to describe the dynamics of gene regulatory networks is based on the chemical master equation, which considers probability distributions over all possible combinations of molecular counts. The analysis of such models…

Molecular Networks · Quantitative Biology 2019-06-04 Pavel Kurasov , Alexander Lück , Delio Mugnolo , Verena Wolf

This paper presents a novel non-linear model reduction method: Probabilistic Manifold Decomposition (PMD), which provides a powerful framework for constructing non-intrusive reduced-order models (ROMs) by embedding a high-dimensional system…

Numerical Analysis · Mathematics 2026-01-09 Jiaming Guo , Dunhui Xiao

The high-resolution visualization of atomic structures is significant for understanding the relationship between the microscopic configurations and macroscopic properties of materials. However, a rapid, accurate, and robust approach to…

Spatial Transcriptomics (ST) offers spatially resolved gene expression but remains costly. Predicting expression directly from widely available Hematoxylin and Eosin (H&E) stained images presents a cost-effective alternative. However, most…

Computer Vision and Pattern Recognition · Computer Science 2025-10-07 Jiarui Ouyang , Yihui Wang , Yihang Gao , Yingxue Xu , Shu Yang , Hao Chen

Deep generative models, such as Variational Autoencoders (VAEs), have been employed widely in computational creativity research. However, such models discourage out-of-distribution generation to avoid spurious sample generation, limiting…

Machine Learning · Computer Science 2021-05-27 Celia Cintas , Payel Das , Brian Quanz , Skyler Speakman , Victor Akinwande , Pin-Yu Chen

Score-based generative models (SGMs) have recently emerged as a promising class of generative models. However, a fundamental limitation is that their sampling process is slow due to a need for many (e.g., 2000) iterations of sequential…

Computer Vision and Pattern Recognition · Computer Science 2025-03-03 Hengyuan Ma , Xiatian Zhu , Jianfeng Feng , Li Zhang

This paper introduces a novel generative encoder (GE) model for generative imaging and image processing with applications in compressed sensing and imaging, image compression, denoising, inpainting, deblurring, and super-resolution. The GE…

Image and Video Processing · Electrical Eng. & Systems 2019-06-03 Lin Chen , Haizhao Yang

We present a unified framework for solving partial differential equations (PDEs) using video-inpainting diffusion transformer models. Unlike existing methods that devise specialized strategies for either forward or inverse problems under…

Machine Learning · Computer Science 2025-06-18 Edward Li , Zichen Wang , Jiahe Huang , Jeong Joon Park

The use of coarse-grained layouts for controllable synthesis of complex scene images via deep generative models has recently gained popularity. However, results of current approaches still fall short of their promise of high-resolution…

Computer Vision and Pattern Recognition · Computer Science 2021-05-14 Manuel Jahn , Robin Rombach , Björn Ommer

We propose a novel probabilistic framework, termed LVM-GP, for uncertainty quantification in solving forward and inverse partial differential equations (PDEs) with noisy data. The core idea is to construct a stochastic mapping from the…

Machine Learning · Statistics 2025-07-31 Xiaodong Feng , Ling Guo , Xiaoliang Wan , Hao Wu , Tao Zhou , Wenwen Zhou

The efficient generation of meshes is an important component in the numerical solution of problems in physics and engineering. Of interest are situations where global mesh quality and a tight coupling to the solution of the physical partial…

Numerical Analysis · Mathematics 2015-04-02 Alexander Bihlo , Ronald D. Haynes , Emily J. Walsh

The availability of rich 3D datasets corresponding to the geometrical complexity of the built environments is considered an ongoing challenge for 3D deep learning methodologies. To address this challenge, we introduce GenScan, a generative…

Computer Vision and Pattern Recognition · Computer Science 2020-12-09 Mohammad Keshavarzi , Oladapo Afolabi , Luisa Caldas , Allen Y. Yang , Avideh Zakhor
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