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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

Many transport processes in nature exhibit anomalous diffusive properties with non-trivial scaling of the mean square displacement, e.g., diffusion of cells or of biomolecules inside the cell nucleus, where typically a crossover between…

Statistical Mechanics · Physics 2015-09-16 Andrea Cairoli , Adrian Baule

Discovering causal relations from observational data becomes possible with additional assumptions such as considering the functional relations to be constrained as nonlinear with additive noise (ANM). Even with strong assumptions, causal…

Machine Learning · Computer Science 2023-06-27 Pedro Sanchez , Xiao Liu , Alison Q O'Neil , Sotirios A. Tsaftaris

Anomaly detection in complex, high-dimensional data, such as UAV sensor readings, is essential for operational safety but challenging for existing methods due to their limited sensitivity, scalability, and inability to capture intricate…

Machine Learning · Computer Science 2025-10-28 Mingze Gong , Juan Du , Jianbang You

Anomalous diffusion is the fundamental ansatz of phenomenological theories of passive scalar turbulence, and has been confirmed numerically and experimentally to an extraordinary extent. The purpose of this survey is to discuss our recent…

Analysis of PDEs · Mathematics 2025-09-05 Scott Armstrong , Vlad Vicol

Diffusive motion is a fundamental transport mechanism in physical and biological systems, governing dynamics across a wide range of scales -- from molecular transport to animal foraging. In many complex systems, however, diffusion deviates…

Statistical Mechanics · Physics 2026-05-01 Takuma Akimoto , Jae-Hyung Jeon , Ralf Metzler , Tomoshige Miyaguchi , Takashi Uneyama , Eiji Yamamoto

Recent advancements in diffusion models have demonstrated significant success in unsupervised anomaly segmentation. For anomaly segmentation, these models are first trained on normal data; then, an anomalous image is noised to an…

Computer Vision and Pattern Recognition · Computer Science 2025-08-08 Mehrdad Moradi , Kamran Paynabar

Diffusion models have demonstrated strong generative performance when using guidance methods such as classifier-free guidance (CFG), which enhance output quality by modifying the sampling trajectory. These methods typically improve a target…

Computer Vision and Pattern Recognition · Computer Science 2025-11-12 Kwanyoung Kim

Generalist Anomaly Detection (GAD) aims to train a unified model on an original domain that can detect anomalies in new target domains. Previous GAD methods primarily use only normal samples as references, overlooking the valuable…

Computer Vision and Pattern Recognition · Computer Science 2025-10-20 Yuexin Wang , Xiaolei Wang , Yizheng Gong , Jimin Xiao

Fractional-order vortex beams possess fractional orbital angular momentum (FOAM) modes, which theoretically have the potential to increase transmission capacity infinitely. Therefore, they have significant application prospects in the…

Optics · Physics 2025-10-24 Yan Guo , Heng Lyu , Chunling Ding , Chenzhi Yuan , Ruibo Jin

Graph generation addresses the problem of generating new graphs that have a data distribution similar to real-world graphs. While previous diffusion-based graph generation methods have shown promising results, they often struggle to scale…

Machine Learning · Computer Science 2025-05-28 Tobias Bernecker , Ghalia Rehawi , Francesco Paolo Casale , Janine Knauer-Arloth , Annalisa Marsico

Inverse design problems are common in engineering and materials science. The forward direction, i.e., computing output quantities from design parameters, typically requires running a numerical simulation, such as a FEM, as an intermediate…

Machine Learning · Computer Science 2026-02-18 Jens U. Kreber , Christian Weißenfels , Joerg Stueckler

Detecting anomalous activity in human mobility data has a number of applications including road hazard sensing, telematic based insurance, and fraud detection in taxi services and ride sharing. In this paper we address two challenges that…

Machine Learning · Computer Science 2018-09-11 Kathryn Gray , Daniel Smolyak , Sarkhan Badirli , George Mohler

Diffusion models are promising for joint trajectory prediction and controllable generation in autonomous driving, but they face challenges of inefficient inference steps and high computational demands. To tackle these challenges, we…

Computer Vision and Pattern Recognition · Computer Science 2024-08-02 Yixiao Wang , Chen Tang , Lingfeng Sun , Simone Rossi , Yichen Xie , Chensheng Peng , Thomas Hannagan , Stefano Sabatini , Nicola Poerio , Masayoshi Tomizuka , Wei Zhan

Accurate inference of fine-grained traffic flow from coarse-grained one is an emerging yet crucial problem, which can help greatly reduce the number of the required traffic monitoring sensors for cost savings. In this work, we notice that…

Machine Learning · Computer Science 2023-10-27 Lingbo Liu , Mengmeng Liu , Guanbin Li , Ziyi Wu , Junfan Lin , Liang Lin

A recent endeavor in one class of video anomaly detection is to leverage diffusion models and posit the task as a generation problem, where the diffusion model is trained to recover normal patterns exclusively, thus reporting abnormal…

Computer Vision and Pattern Recognition · Computer Science 2024-12-13 Hang Zhou , Jiale Cai , Yuteng Ye , Yonghui Feng , Chenxing Gao , Junqing Yu , Zikai Song , Wei Yang

The diffusion of macromolecules in cells and in complex fluids is often found to deviate from simple Fickian diffusion. One explanation offered for this behavior is that molecular crowding renders diffusion anomalous, where the mean-squared…

Soft Condensed Matter · Physics 2016-05-18 Daniel S. Banks , Charmaine Tressler , Robert D. Peters , Felix Höfling , Cécile Fradin

Surface anomaly detection is a vital component in manufacturing inspection. Current discriminative methods follow a two-stage architecture composed of a reconstructive network followed by a discriminative network that relies on the…

Computer Vision and Pattern Recognition · Computer Science 2024-07-11 Matic Fučka , Vitjan Zavrtanik , Danijel Skočaj

We show through intensive simulations that the paradigmatic features of anomalous diffusion are indeed the features of a (continuous-time) random walk driven by two different Markovian hopping-trap mechanisms. If $p \in (0,1/2)$ and $1-p$…

Statistical Mechanics · Physics 2022-05-25 Silvia Vitali , Paolo Paradisi , Gianni Pagnini

Diffusion models have found valuable applications in anomaly detection by capturing the nominal data distribution and identifying anomalies via reconstruction. Despite their merits, they struggle to localize anomalies of varying scales,…

Computer Vision and Pattern Recognition · Computer Science 2024-06-25 Justin Tebbe , Jawad Tayyub
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