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Inhalation drug delivery has seen a swift rise in the use of dry powder inhalers (DPIs) to treat chronic respiratory conditions. However, universal adoption of DPIs has been restrained due to their low efficiencies and significant drug…

In this work, we propose a new particle-based variational inference (ParVI) method for accelerating the Energetic Variational Inference with Implicit scheme (EVI-Im) introduced in Ref. \cite{wang2021particle}. Inspired by energy…

机器学习 · 统计学 2026-05-14 Xuelian Bao , Lulu Kang , Chun Liu , Yiwei Wang

Inferring dynamical models from data continues to be a significant challenge in computational biology, especially given the stochastic nature of many biological processes. We explore a common scenario in omics, where statistically…

机器学习 · 计算机科学 2025-07-31 Suryanarayana Maddu , Victor Chardès , Michael. J. Shelley

As one of the most successful generative models, diffusion models have demonstrated remarkable efficacy in synthesizing high-quality images. These models learn the underlying high-dimensional data distribution in an unsupervised manner.…

计算机视觉与模式识别 · 计算机科学 2024-12-12 Min Hou , Yueying Wu , Chang Xu , Yu-Hao Huang , Chenxi Bai , Le Wu , Jiang Bian

Understanding and predicting the behavior of liquid matter across length scales, using only the microscopic interactions encoded in the Schr\"odinger equation, remains a central challenge in the physical sciences. Achieving this goal…

化学物理 · 物理学 2026-03-24 Anna T. Bui , Stephen J. Cox

The design space for inertial confinement fusion (ICF) experiments is vast and experiments are extremely expensive. Researchers rely heavily on computer simulations to explore the design space in search of high-performing implosions.…

机器学习 · 计算机科学 2021-05-19 K. D. Humbird , J. L. Peterson , J. Salmonson , B. K. Spears

Characterization and modeling of path-dependent behaviors of complex materials by phenomenological models remains challenging due to difficulties in formulating mathematical expressions and internal state variables (ISVs) governing…

数值分析 · 数学 2022-08-23 Xiaolong He , Jiun-Shyan Chen

Correcting for detector effects in experimental data, particularly through unfolding, is critical for enabling precision measurements in high-energy physics. However, traditional unfolding methods face challenges in scalability,…

数据分析、统计与概率 · 物理学 2024-11-28 Camila Pazos , Shuchin Aeron , Pierre-Hugues Beauchemin , Vincent Croft , Zhengyan Huan , Martin Klassen , Taritree Wongjirad

This study employed an artificial intelligence-enhanced molecular simulation framework to enable efficient Path Integral Molecular Dynamics (PIMD) simulations. Owing to its modular architecture and high-throughput capabilities, the…

化学物理 · 物理学 2025-04-01 Cheng Fan , Maodong Li , Sihao Yuan , Zhaoxin Xie , Dechin Chen , Yi Isaac Yang , Yi Qin Gao

Diffusion models have demonstrated remarkable success in image restoration tasks. However, their multi-step denoising process introduces significant computational overhead, limiting their practical deployment. Furthermore, existing methods…

计算机视觉与模式识别 · 计算机科学 2025-07-15 Jinpei Guo , Zheng Chen , Wenbo Li , Yong Guo , Yulun Zhang

The assembly of virus capsids from free coat proteins proceeds by a complicated cascade of association and dissociation steps, the great majority of which cannot be directly experimentally observed. This has made capsid assembly a rich…

定量方法 · 定量生物学 2015-07-09 Lu Xie , Gregory R. Smith , Russell Schwartz

Variational inference is computationally challenging in models that contain both conjugate and non-conjugate terms. Methods specifically designed for conjugate models, even though computationally efficient, find it difficult to deal with…

机器学习 · 计算机科学 2017-04-14 Mohammad Emtiyaz Khan , Wu Lin

Predictive simulations are crucial for the success of many subsurface applications, and it is highly desirable to obtain accurate non-negative solutions for transport equations in these numerical simulations. In this paper, we propose a…

计算工程、金融与科学 · 计算机科学 2017-05-24 J. Chang , K. B. Nakshatrala

Estimating the material properties of thermal protection films is crucial for their effective design and application, particularly in high-temperature environments. This work presents a novel approach to determine the properties using…

计算工程、金融与科学 · 计算机科学 2025-01-22 Karthik Reddy Lyathakula

Heat transfer simulations of the fused filament fabrication process are an important tool to predict bonding, residual stresses and strength of 3D printed parts. But in order to capture the significant thermal gradients that occur in the…

计算工程、金融与科学 · 计算机科学 2023-05-08 Nathalie Ramos , Christoph Mittermeier , Josef Kiendl

The existing particle image velocimetry (PIV) do not consider the curvature effect of the non-straight particle trajectory, because it seems to be impossible to obtain the curvature information from a pair of particle images. As a result,…

计算机视觉与模式识别 · 计算机科学 2021-12-08 Yong Lee , Shuang Mei

Robust local feature representations are essential for spatial intelligence tasks such as robot navigation and augmented reality. Establishing reliable correspondences requires descriptors that provide both high discriminative power and…

计算机视觉与模式识别 · 计算机科学 2026-01-15 Haodi Yao , Fenghua He , Ning Hao , Yao Su

Diffusion models have emerged as powerful generative tools for modeling complex data distributions, yet their purely data-driven nature limits applicability in practical engineering and scientific problems where physical laws need to be…

Recent advances in generative modeling -- particularly diffusion models and flow matching -- have achieved remarkable success in synthesizing discrete data such as images and videos. However, adapting these models to physical applications…

机器学习 · 计算机科学 2025-11-26 Sifan Wang , Zehao Dou , Siming Shan , Tong-Rui Liu , Lu Lu

The paradigm shift from environment-unaware communication to intelligent environment-aware communication is expected to facilitate the acquisition of channel state information for future wireless communications. Channel Fingerprint (CF), as…

网络与互联网体系结构 · 计算机科学 2026-05-27 Zhenzhou Jin , Li You , Xiang-Gen Xia , Xiqi Gao