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Estimating three-dimensional conformations of a molecular graph allows insight into the molecule's biological and chemical functions. Fast generation of valid conformations is thus central to molecular modeling. Recent advances in…

Machine Learning · Computer Science 2025-02-18 Sohil Atul Shah , Vladlen Koltun

Deep learning models have emerged as a powerful tool for various medical applications. However, their success depends on large, high-quality datasets that are challenging to obtain due to privacy concerns and costly annotation. Generative…

Computer Vision and Pattern Recognition · Computer Science 2025-03-04 Milad Yazdani , Yasamin Medghalchi , Pooria Ashrafian , Ilker Hacihaliloglu , Dena Shahriari

When systems use data-based models that are based on machine learning (ML), errors in their results cannot be ruled out. This is particularly critical if it remains unclear to the user how these models arrived at their decisions and if…

Machine Learning · Computer Science 2023-11-10 Lisa Jöckel , Michael Kläs , Georg Popp , Nadja Hilger , Stephan Fricke

Quick and accurate medical diagnosis is crucial for the successful treatment of a disease. Using machine learning algorithms, we have built two models to predict a hematologic disease, based on laboratory blood test results. In one…

Machine Learning · Statistics 2020-06-09 Gregor Gunčar , Matjaž Kukar , Mateja Notar , Miran Brvar , Peter Černelč , Manca Notar , Marko Notar

Flow matching has recently emerged as a promising alternative to diffusion-based generative models, offering faster sampling and simpler training by learning continuous flows governed by ordinary differential equations. Despite growing…

Machine Learning · Computer Science 2025-12-02 Mudit Gaur , Prashant Trivedi , Shuchin Aeron , Amrit Singh Bedi , George K. Atia , Vaneet Aggarwal

Clustering analysis of daily load profiles represents an effective technique to classify and aggregate electric users based on their actual consumption patterns. Among other purposes, it may be exploited as a preliminary stage for load…

Systems and Control · Electrical Eng. & Systems 2022-05-11 Francesca Soldan , Alberto Maldarella , Gabriele Paludetto , Enea Bionda , Federico Belloni , Samuele Grillo

Data preprocessing is a fundamental part of any machine learning application and frequently the most time-consuming aspect when developing a machine learning solution. Preprocessing for deep learning is characterized by pipelines that…

Machine Learning · Computer Science 2018-01-11 S. Maetschke , R. Tennakoon , C. Vecchiola , R. Garnavi

High-fidelity modeling of blood flow is crucial for enhancing our understanding of cardiovascular disease. Despite significant advances in computational and experimental characterization of blood flow, the knowledge that we can acquire from…

Computational Physics · Physics 2021-06-08 Amirhossein Arzani , Scott T. M. Dawson

Visual quality measures (VQMs) are designed to support analysts by automatically detecting and quantifying patterns in visualizations. We propose a new VQM for visual grouping patterns in scatterplots, called ClustML, which is trained on…

Human-Computer Interaction · Computer Science 2024-05-02 Mostafa M. Abbas , Ehsan Ullah , Abdelkader Baggag , Halima Bensmail , Michael Sedlmair , Michaël Aupetit

Flow in porous media is difficult to address using standard analytical or numerical methods due to its complexity. However, since synthetic representations of porous media are easy to produce and data from physical experiments are becoming…

Computational Fluid Dynamics (CFD) is the main approach to analyzing flow field. However, the convergence and accuracy depend largely on mathematical models of flow, numerical methods, and time consumption. Deep learning-based analysis of…

Computer Vision and Pattern Recognition · Computer Science 2025-05-22 Chang Liu

Immunoaffinity-based liquid biopsies of circulating tumor cells (CTCs) hold great promise for cancer management, but typically suffer from low throughput, relative complexity and post-processing limitations. Here we address these issues…

Quantitative Methods · Quantitative Biology 2026-04-29 Jing Yan , Jie Wang , Robert Dallmann , Renquan Lu , Jérôme Charmet

In spite of considerable progress, computing curvature in Volume of Fluid (VOF) methods continues to be a challenge. The goal is to develop a function or a subroutine that returns the curvature in computational cells containing an interface…

Computational Physics · Physics 2018-11-14 Yinghe Qi , Jiacai Lu , Ruben Scardovelli , Stephane Zaleski , Gretar Tryggvason

Trace clustering has increasingly been applied to find homogenous process executions. However, current techniques have difficulties in finding a meaningful and insightful clustering of patients on the basis of healthcare data. The resulting…

Databases · Computer Science 2020-01-13 Xixi Lu , Seyed Amin Tabatabaei , Mark Hoogendoorn , Hajo A. Reijers

Bi-clustering is a useful approach in analyzing biological data when observations come from heterogeneous groups and have a large number of features. We outline a general Bayesian approach in tackling bi-clustering problems in moderate to…

Applications · Statistics 2021-02-11 Han Yan , Jiexing Wu , Yang Li , Jun S. Liu

We describe and validate a novel data-driven approach to the real time detection and classification of traffic anomalies based on the identification of atypical fluctuations in the relationship between density and flow. For aggregated data…

Applications · Statistics 2020-12-22 Kieran Kalair , Colm Connaughton

Reactive flows in porous media play an important role in our life and are crucial for many industrial, environmental and biomedical applications. Very often the concentration of the species at the inlet is known, and the so-called…

Fluid Dynamics · Physics 2023-01-13 Daria Fokina , Pavel Toktaliev , Oleg Iliev , Ivan Oseledets

Metabolic flux balance analyses are a standard tool in analysing metabolic reaction rates compatible with measurements, steady-state and the metabolic reaction network stoichiometry. Flux analysis methods commonly place unrealistic…

4D-flow magnetic resonance imaging (MRI) is an emerging imaging technique where spatiotemporal 3D blood velocity can be captured with full volumetric coverage in a single non-invasive examination. This enables qualitative and quantitative…

Image and Video Processing · Electrical Eng. & Systems 2020-04-16 Edward Ferdian , Avan Suinesiaputra , David Dubowitz , Debbie Zhao , Alan Wang , Brett Cowan , Alistair Young

We report a field-portable and cost-effective imaging flow cytometer that uses deep learning to accurately detect Giardia lamblia cysts in water samples at a volumetric throughput of 100 mL/h. This flow cytometer uses lensfree color…

Image and Video Processing · Electrical Eng. & Systems 2020-08-14 Zoltan Gorocs , David Baum , Fang Song , Kevin DeHaan , Hatice Ceylan Koydemir , Yunzhe Qiu , Zilin Cai , Thamira Skandakumar , Spencer Peterman , Miu Tamamitsu , Aydogan Ozcan