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Personalizing combination therapies in oncology requires navigating an immense space of possible drug and dose combinations, a task that remains largely infeasible through exhaustive experimentation. Recent developments in patient-derived…

Machine Learning · Computer Science 2025-09-10 Antoine de Mathelin , Christopher Tosh , Wesley Tansey

The increasing size of screening libraries poses a significant challenge for the development of virtual screening methods for drug discovery, necessitating a re-evaluation of traditional approaches in the era of big data. Although 3D…

Machine Learning · Computer Science 2025-03-17 Daniel Rose , Oliver Wieder , Thomas Seidel , Thierry Langer

Spectral dimensionality reduction methods enable linear separations of complex data with high-dimensional features in a reduced space. However, these methods do not always give the desired results due to irregularities or uncertainties of…

Machine Learning · Statistics 2018-05-21 Momo Matsuda , Keiichi Morikuni , Tetsuya Sakurai

The collision kernel of droplets in warm clouds is a crucially important quantity for the parameterization of precipitation in weather and climate models. Nevertheless, its accurate representation remains a challenge, specifically in the…

Fluid Dynamics · Physics 2026-03-16 L. A. Codispoti , Daniel W. Meyer , Patrick Jenny

Deep generative models have achieved tremendous success in designing novel drug molecules in recent years. A new thread of works have shown the great potential in advancing the specificity and success rate of in silico drug design by…

Machine Learning · Computer Science 2025-07-14 Xingang Peng , Shitong Luo , Jiaqi Guan , Qi Xie , Jian Peng , Jianzhu Ma

The introduction of lung cancer screening programs will produce an unprecedented amount of chest CT scans in the near future, which radiologists will have to read in order to decide on a patient follow-up strategy. According to the current…

We introduce a computational method to discover polymorphs in molecular crystals at finite temperature. The method is based on reproducing the crystallization process starting from the liquid and letting the system discover the relevant…

Chemical Physics · Physics 2020-04-10 Pablo M. Piaggi , Michele Parrinello

Motivated by the fine compositional control observed in membraneless droplet organelles in cells, we investigate how a sharp binding-unbinding transition can occur between multivalent client molecules and receptors embedded in a porous…

Soft Condensed Matter · Physics 2021-01-12 Andrew T. R. Christy , Halim Kusumaatmaja , Mark A. Miller

Classical Density Functional Theory (DFT) is a statistical-mechanical framework to analyze fluids, which accounts for nanoscale fluid inhomogeneities and non-local intermolecular interactions. DFT can be applied to a wide range of…

Computational Engineering, Finance, and Science · Computer Science 2017-02-07 Andreas Nold , Benjamin D. Goddard , Peter Yatsyshin , Nikos Savva , Serafim Kalliadasis

Healthcare applications are inherently multimodal, benefiting greatly from the integration of diverse data sources. However, the modalities available in clinical settings can vary across different locations and patients. A key area that…

Computer Vision and Pattern Recognition · Computer Science 2025-09-04 Mohammed Amer , Mohamed A. Suliman , Tu Bui , Nuria Garcia , Serban Georgescu

We consider two dimensional dispersions of droplets of isotropic phase in a liquid with an XY-like order parameter, tilt, nematic, and hexatic symmetries being included. Strong anchoring boundary conditions are assumed. Textures for a…

Soft Condensed Matter · Physics 2008-07-06 K. S. Korolev , David R. Nelson

Efficient particle sorting in microfluidic systems is vital for advancements in biomedical diagnostics and industrial applications. This study numerically investigates particle migration and passive sorting in symmetric serpentine…

Fluid Dynamics · Physics 2025-09-16 Sayan Karmakar , Anish Pal , Sourav Sarkar , Achintya Mukhopadhyay

Nucleation is considered near the pseudospinodal in a one-dimensional $\phi^4$ model with a non-conserved order parameter and long-range interactions. For a sufficiently large system or a system with slow relaxation to metastable…

Statistical Mechanics · Physics 2007-05-23 A. O. Schweiger , K. Barros , W. Klein

Soft particles such as microgels and core-shell particles can undergo significant and anisotropic deformations when adsorbed to a liquid interface. This, in turn, leads to a complex phase behavior upon compression. Here we develop a…

Feature matching and finding correspondences between endoscopic images is a key step in many clinical applications such as patient follow-up and generation of panoramic image from clinical sequences for fast anomalies localization.…

Computer Vision and Pattern Recognition · Computer Science 2022-08-25 Manel Farhat , Houda Chaabouni-Chouayakh , Achraf Ben-Hamadou

A variety of problems in device and materials design require the rapid forward modeling of Maxwell's equations in complex micro-structured materials. By combining high-order accurate integral equation methods with classical multiple…

Numerical Analysis · Mathematics 2011-04-29 Zydrunas Gimbutas , Leslie Greengard

Driven by large data trained segmentation models, such as SAM , research in one-shot segmentation has experienced significant advancements. Recent contributions like PerSAM and MATCHER , presented at ICLR 2024, utilize a similar approach by…

Computer Vision and Pattern Recognition · Computer Science 2024-05-21 Zhiyu Xu , Qingliang Chen

The proliferation of deep learning applications has intensified the demand for electronic hardware with low energy consumption and fast computing speed. Neuromorphic photonics have emerged as a viable alternative to directly process…

Applied Physics · Physics 2025-06-24 Guangfeng You , Chao Qian , Hongsheng Chen

Recently, there has been a panoptic segmentation task combining semantic and instance segmentation, in which the goal is to classify each pixel with the corresponding instance ID. In this work, we propose a solution to tackle the panoptic…

Computer Vision and Pattern Recognition · Computer Science 2021-07-13 Shuo-En Chang , Yi-Cheng Yang , En-Ting Lin , Pei-Yung Hsiao , Li-Chen Fu

We study the structure and morphological changes of fluids that are in contact with solid composites formed by alternating and microscopically wide stripes of two different materials. One type of the stripes interacts with the fluid via…

Statistical Mechanics · Physics 2019-12-30 Martin Pospíšil , Martin Láska , Alexandr Malijevský