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The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…

Biomolecules · Quantitative Biology 2025-01-09 Bobin Yang , Jie Deng , Zhenghan Chen , Ruoxue Wu

Evolutionary model merging provides a powerful framework for the automated, training-free composition of LLMs through parameter-space search. However, existing methods predominantly rely on stochastic, hand-crafted operators that overlook…

Neural and Evolutionary Computing · Computer Science 2026-05-29 Tao Jiang , Xinmeng Yu , Chenhao Yi , Yiling Wu , Yan Li , Ran Cheng , Dongmei Jiang , Jianguo Zhang

We develop a probabilistic framework for deep learning based on the Deep Rendering Mixture Model (DRMM), a new generative probabilistic model that explicitly capture variations in data due to latent task nuisance variables. We demonstrate…

Machine Learning · Statistics 2016-12-07 Ankit B. Patel , Tan Nguyen , Richard G. Baraniuk

Implicit sampling is a weighted sampling method that is used in data assimilation, where one sequentially updates estimates of the state of a stochastic model based on a stream of noisy or incomplete data. Here we describe how to use…

Numerical Analysis · Mathematics 2016-01-20 Matthias Morzfeld , Xuemin Tu , Jon Wilkening , Alexandre J. Chorin

Developing efficient numerical algorithms for the solution of high dimensional random Partial Differential Equations (PDEs) has been a challenging task due to the well-known curse of dimensionality. We present a new solution framework for…

Machine Learning · Computer Science 2019-10-17 Mohammad Amin Nabian , Hadi Meidani

Earth system models (ESMs), which simulate the physics and chemistry of the global atmosphere, land, and ocean, are often used to generate future projections of climate change scenarios. These models are far too computationally intensive to…

Neural and Evolutionary Computing · Computer Science 2020-11-25 Alexandra Puchko , Robert Link , Brian Hutchinson , Ben Kravitz , Abigail Snyder

We introduce Efficient Motion Diffusion Model (EMDM) for fast and high-quality human motion generation. Current state-of-the-art generative diffusion models have produced impressive results but struggle to achieve fast generation without…

Computer Vision and Pattern Recognition · Computer Science 2024-11-26 Wenyang Zhou , Zhiyang Dou , Zeyu Cao , Zhouyingcheng Liao , Jingbo Wang , Wenjia Wang , Yuan Liu , Taku Komura , Wenping Wang , Lingjie Liu

Machine learning for scientific applications faces the challenge of limited data. We propose a framework that leverages a priori known physics to reduce overfitting when training on relatively small datasets. A deep neural network is…

Machine Learning · Computer Science 2019-11-22 Jonathan B. Freund , Jonathan F. MacArt , Justin Sirignano

We study aleatoric and epistemic uncertainty estimation in a learned regressive system dynamics model. Disentangling aleatoric uncertainty (the inherent randomness of the system) from epistemic uncertainty (the lack of data) is crucial for…

Machine Learning · Computer Science 2025-03-21 Zhiyu An , Zhibo Hou , Wan Du

We develop a class of data-driven generative models that approximate the solution operator for parameter-dependent partial differential equations (PDE). We propose a novel probabilistic formulation of the operator learning problem based on…

Numerical Analysis · Mathematics 2026-04-21 Ting Wang , Petr Plechac , Jaroslaw Knap

Visual sensors, including 3D LiDAR, neuromorphic DVS sensors, and conventional frame cameras, are increasingly integrated into edge-side intelligent machines. Realizing intensive multi-sensory data analysis directly on edge intelligent…

The increasing demand for high-speed and reliable wireless networks has driven advancements in technologies such as millimeter-wave and 5G radios, which requires efficient planning and timely deployment of wireless access points. A critical…

Networking and Internet Architecture · Computer Science 2025-01-14 Xuanhao Luo , Zhizhen Li , Zhiyuan Peng , Mingzhe Chen , Yuchen Liu

Deep neuroevolution and deep reinforcement learning (deep RL) algorithms are two popular approaches to policy search. The former is widely applicable and rather stable, but suffers from low sample efficiency. By contrast, the latter is more…

Machine Learning · Computer Science 2019-02-12 Aloïs Pourchot , Olivier Sigaud

Deep generative models (DGMs) have demonstrated great success across various domains, particularly in generating texts, images, and videos using models trained from offline data. Similarly, data-driven decision-making and robotic control…

Machine Learning · Computer Science 2024-05-28 Jiayu Chen , Bhargav Ganguly , Yang Xu , Yongsheng Mei , Tian Lan , Vaneet Aggarwal

The presence of unobserved node specific heterogeneity in Exponential Random Graph Models (ERGM) is a general concern, both with respect to model validity as well as estimation instability. We therefore extend the ERGM by including node…

Computation · Statistics 2021-12-24 Sevag Kevork , Göran Kauermann

In the field of artificial intelligence (AI), the quest to understand and model data-generating processes (DGPs) is of paramount importance. Deep generative models (DGMs) have proven adept in capturing complex data distributions but often…

Machine Learning · Computer Science 2025-03-19 Guanglin Zhou , Shaoan Xie , Guang-Yuan Hao , Shiming Chen , Biwei Huang , Xiwei Xu , Chen Wang , Liming Zhu , Lina Yao , Kun Zhang

Discrete choice models (DCMs) are used to analyze individual decision-making in contexts such as transportation choices, political elections, and consumer preferences. DCMs play a central role in applied econometrics by enabling inference…

Machine Learning · Statistics 2025-12-19 Daniel F. Villarraga , Ricardo A. Daziano

Learning to sample from complex unnormalized distributions is a fundamental challenge in computational physics and machine learning. While score-based and variational methods have achieved success in continuous domains, extending them to…

Machine Learning · Statistics 2026-03-11 Lei Li , Zhen Wang , Lishuo Zhang

Modern data sets, such as those in healthcare and e-commerce, are often derived from many individuals or systems but have insufficient data from each source alone to separately estimate individual, often high-dimensional, model parameters.…

Machine Learning · Computer Science 2024-11-14 Maryann Rui , Thibaut Horel , Munther Dahleh

Systems governed by partial differential equations (PDEs) require computationally intensive numerical solvers to predict spatiotemporal field evolution. While machine learning (ML) surrogates offer faster solutions, autoregressive inference…

Machine Learning · Computer Science 2025-07-08 Ishan Khurjekar , Indrashish Saha , Lori Graham-Brady , Somdatta Goswami
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