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Machine learning (ML) offers promising new approaches to tackle complex problems and has been increasingly adopted in chemical and materials sciences. Broadly speaking, ML models employ generic mathematical functions and attempt to learn…

材料科学 · 物理学 2024-08-21 Jin Dai , Santosh Adhikari , Mingjian Wen

Many numerical algorithms have been established to reconstruct pressure fields from measured kinematic data with noise by Particle Image Velocimetry (PIV), such as the Pressure Poisson solver and the Omni-Directional Integration (ODI)…

流体动力学 · 物理学 2023-02-01 Zejian You , Qi Wang , Xiaofeng Liu

Recently, Gaussian processes have been used to model the vector field of continuous dynamical systems, referred to as GPODEs, which are characterized by a probabilistic ODE equation. Bayesian inference for these models has been extensively…

机器学习 · 计算机科学 2025-08-11 Jian Xu , Shian Du , Junmei Yang , Xinghao Ding , John Paisley , Delu Zeng

Open-set supervised anomaly detection (OSAD) aims to identify unseen anomalies using limited anomalous supervision. However, existing prototype-based methods typically model normal data via a unimodal Gaussian prior, failing to capture…

计算机视觉与模式识别 · 计算机科学 2026-05-15 Fuyun Wang , Yuanzhi Wang , Xu Guo , Sujia Huang , Tong Zhang , Dan Wang , Hui Yan , Xin Liu , Zhen Cui

Streamflow prediction is one of the key challenges in the field of hydrology due to the complex interplay between multiple non-linear physical mechanisms behind streamflow generation. While physics based models are rooted in rich…

大气与海洋物理 · 物理学 2025-11-12 Ankush Khandelwal , Shaoming Xu , Xiang Li , Xiaowei Jia , Michael Stienbach , Christopher Duffy , John Nieber , Vipin Kumar

Predicting future states or actions of a given system remains a fundamental, yet unsolved challenge of intelligence, especially in the scope of complex and non-deterministic scenarios, such as modeling behavior of humans. Existing…

Obtaining accurate transition state (TS) energies is a bottleneck in computational screening of complex materials and reaction networks due to the high cost of TS search methods and first-principles methods such as density functional theory…

材料科学 · 物理学 2026-03-26 Raffaele Cheula , Mie Andersen

Various engineering systems such as naval and aerial vehicles, offshore structures, and mechanical components of motorized systems, are exposed to fatigue failures due to stochastic loadings. Methods for early failure prediction are…

机器学习 · 计算机科学 2021-04-06 Maor Farid

Unsupervised optical flow methods typically lack reliable uncertainty estimation, limiting their robustness and interpretability. We propose U$^{2}$Flow, the first recurrent unsupervised framework that jointly estimates optical flow and…

计算机视觉与模式识别 · 计算机科学 2026-04-14 Xunpei Sun , Wenwei Lin , Yi Chang , Gang Chen

Uncertainty quantification of groundwater (GW) aquifer parameters is critical for efficient management and sustainable extraction of GW resources. These uncertainties are introduced by the data, model, and prior information on the…

地球物理 · 物理学 2021-12-08 Amal Alghamdi , Marc Hesse , Jingyi Chen , Umberto Villa , Omar Ghattas

To predict future trajectories, the normalizing flow with a standard Gaussian prior suffers from weak diversity. The ineffectiveness comes from the conflict between the fact of asymmetric and multi-modal distribution of likely outcomes and…

计算机视觉与模式识别 · 计算机科学 2025-01-16 Jiahe Chen , Jinkun Cao , Dahua Lin , Kris Kitani , Jiangmiao Pang

Uncertainty estimations for machine learning interatomic potentials (MLIPs) are crucial for quantifying model error and identifying informative training samples in active learning strategies. In this study, we evaluate uncertainty…

机器学习 · 计算机科学 2025-01-10 Matthias Holzenkamp , Dongyu Lyu , Ulrich Kleinekathöfer , Peter Zaspel

Generating high-quality time-series data is challenging because real-world signals often exhibit multimodal patterns and multiscale dynamics, including oscillations and high-frequency variations. Flow Matching (FM) offers an efficient…

机器学习 · 计算机科学 2026-05-29 Junru Zhang , Lang Feng , Jinbo Wang , Xu Guo , Yucheng Wang , Han Yu , Min Wu , Yabo Dong , Duanqing Xu

Learning dynamical systems from incomplete or noisy data is inherently ill-posed, as a single observation may correspond to multiple plausible futures. While physics-based ensemble forecasting relies on perturbing initial states to capture…

机器学习 · 计算机科学 2026-02-27 Siddharth Rout , Eldad Haber , Stephane Gaudreault

In a landscape where scientific discovery is increasingly driven by data, the integration of machine learning (ML) with traditional scientific methodologies has emerged as a transformative approach. This paper introduces a novel,…

机器学习 · 计算机科学 2024-06-26 Yunjin Tong

Accurate prediction of structural dynamics is imperative for preserving digital twin fidelity throughout operational lifetimes. Parametric models with fixed nominal parameters often omit critical physical effects due to simplifications in…

机器学习 · 统计学 2026-01-12 Rohan Vitthal Thorat , Rajdip Nayek

A hybrid physics-machine learning modeling framework is proposed for the surface vehicles' maneuvering motions to address the modeling capability and stability in the presence of environmental disturbances. From a deep learning perspective,…

机器人学 · 计算机科学 2025-03-27 Zihao Wang , Jian Cheng , Liang Xu , Lizhu Hao , Yan Peng

In modern process industries, data-driven models are important tools for real-time monitoring when key performance indicators are difficult to measure directly. While accurate predictions are essential, reliable uncertainty quantification…

机器学习 · 计算机科学 2026-04-07 Yiran Ma , Jerome Le Ny , Zhichao Chen , Zhihuan Song

Reinforcement Learning (RL) has achieved impressive results in robotics, yet high-performing pipelines remain highly task-specific, with little reuse of prior data. Offline Model-based RL (MBRL) offers greater data efficiency by training…

机器人学 · 计算机科学 2026-01-09 Chenhao Li , Andreas Krause , Marco Hutter

Reconstructing high-fidelity fluid dynamics from sparse temporal observations is quite challenging, mainly due to the chaotic and non-linear nature of fluid transport. Standard deep learning-based interpolation methods often tend to regress…

流体动力学 · 物理学 2026-04-28 Eshwar R. A. , Nevin Mathew Thomas , Nehal G , Farida M. Begam