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Point 1: Shape characterizers are metrics that quantify aspects of the overall geometry of a 3D digital surface. When computed for biological objects, the values of a shape characterizer are largely independent of homology interpretations…

Quantitative Methods · Quantitative Biology 2019-01-21 Shan Shan , Shahar Z. Kovalsky , Julie M. Winchester , Doug M. Boyer , Ingrid Daubechies

We introduce a novel and generic convolutional unit, DiCE unit, that is built using dimension-wise convolutions and dimension-wise fusion. The dimension-wise convolutions apply light-weight convolutional filtering across each dimension of…

Computer Vision and Pattern Recognition · Computer Science 2020-12-01 Sachin Mehta , Hannaneh Hajishirzi , Mohammad Rastegari

The ability to use digitally recorded and quantified neurological exam information is important to help healthcare systems deliver better care, in-person and via telehealth, as they compensate for a growing shortage of neurologists. Current…

Machine Learning · Computer Science 2022-06-01 Trung-Hieu Hoang , Mona Zehni , Huaijin Xu , George Heintz , Christopher Zallek , Minh N. Do

Physics Informed Neural Network (PINN) is a scientific computing framework used to solve both forward and inverse problems modeled by Partial Differential Equations (PDEs). This paper introduces IDRLnet, a Python toolbox for modeling and…

Machine Learning · Computer Science 2021-07-12 Wei Peng , Jun Zhang , Weien Zhou , Xiaoyu Zhao , Wen Yao , Xiaoqian Chen

Recently, machine learning methods have gained significant traction in scientific computing, particularly for solving Partial Differential Equations (PDEs). However, methods based on deep neural networks (DNNs) often lack convergence…

Artificial Intelligence · Computer Science 2025-06-16 Li Liu , Heng Yong

Shape-constrained nonparametric regression is a growing area in econometrics, statistics, operations research, machine learning and related fields. In the field of productivity and efficiency analysis, recent developments in the…

Computation · Statistics 2021-09-28 Sheng Dai , Yu-Hsueh Fang , Chia-Yen Lee , Timo Kuosmanen

The state-of-the-art (SoTA) surface normal estimators (SNEs) generally translate depth images into surface normal maps in an end-to-end fashion. Although such SNEs have greatly minimized the trade-off between efficiency and accuracy, their…

Computer Vision and Pattern Recognition · Computer Science 2022-08-19 Nan Ming , Yi Feng , Rui Fan

Reliable parameter extraction from experimental data is central to quantitative analysis in spectroscopy, diffraction, photoluminescence, chromatography, microscopy, and time-resolved measurements. We present FitED, a Python-based desktop…

Data Analysis, Statistics and Probability · Physics 2026-05-04 Mustafa Mahmoud Aboulsaad

Additive models offer accurate and interpretable predictions for tabular data, a critical tool for statistical modeling. Recent advances in Neural Additive Models (NAMs) allow these models to handle complex machine learning tasks, including…

Machine Learning · Computer Science 2025-03-12 Mike Van Ness , Madeleine Udell

Spiking neural networks (SNNs) have gained prominence for their potential in neuromorphic computing and energy-efficient artificial intelligence, yet optimizing them remains a formidable challenge for gradient-based methods due to their…

Neural and Evolutionary Computing · Computer Science 2024-06-05 Runhua Jiang , Guodong Du , Shuyang Yu , Yifei Guo , Sim Kuan Goh , Ho-Kin Tang

We introduce pointwise map smoothness via the Dirichlet energy into the functional map pipeline, and propose an algorithm for optimizing it efficiently, which leads to high-quality results in challenging settings. Specifically, we first…

Computer Vision and Pattern Recognition · Computer Science 2023-03-13 Robin Magnet , Jing Ren , Olga Sorkine-Hornung , Maks Ovsjanikov

Unsupervised machine learning has recently gained much attention in the field of molecular dynamics (MD). Particularly, dimensionality reduction techniques have been regularly employed to analyze large volumes of high-dimensional MD data to…

Chemical Physics · Physics 2025-05-23 Patryk Tajs , Mateusz Skarupski , Jakub Rydzewski

Industrial CAD workflows require robust, generalizable 3D geometric representations supporting accuracy and explainability. We introduce Shape, a self-supervised foundation model converting surface meshes into dense per-token embeddings.…

Computer Vision and Pattern Recognition · Computer Science 2026-04-28 Bayangmbe Mounmo , Sam Chien , Mile Mitrovic

Visual data is used in numerous different scientific workflows ranging from remote sensing to ecology. As the amount of observation data increases, the challenge is not just to make accurate predictions but also to understand the underlying…

Computer Vision and Pattern Recognition · Computer Science 2025-02-17 Utkarsh Mall , Cheng Perng Phoo , Mia Chiquier , Bharath Hariharan , Kavita Bala , Carl Vondrick

In this project, we present a deep neural network (DNN)-based biophysics model that uses multi-scale and uniform topological and electrostatic features to predict protein properties, such as Coulomb energies or solvation energies. The…

Machine Learning · Computer Science 2026-03-16 Elyssa Sliheet , Md Abu Talha , Weihua Geng

Extracting robust and general 3D local features is key to downstream tasks such as point cloud registration and reconstruction. Existing learning-based local descriptors are either sensitive to rotation transformations, or rely on classical…

Computer Vision and Pattern Recognition · Computer Science 2021-04-12 Sheng Ao , Qingyong Hu , Bo Yang , Andrew Markham , Yulan Guo

Purpose: Deep Neuroevolution (DNE) holds the promise of providing radiology artificial intelligence (AI) that performs well with small neural networks and small training sets. We seek to realize this potential via a proof-of-principle…

Neural and Evolutionary Computing · Computer Science 2021-12-28 Joseph N Stember , Hrithwik Shalu

In recent years the study of deep learning for solving differential equations has grown substantially. The use of physics-informed neural networks (PINNs) and deep operator networks (DeepONets) have emerged as two of the most useful…

Machine Learning · Computer Science 2025-08-27 Jason Matthews , Alex Bihlo

Background: Digital Image Correlation (DIC) is a widely used full-field measurement technique, but both open-source and commercial packages often have limitations such as operating-system restrictions, lack of support for deployment on…

Image and Video Processing · Electrical Eng. & Systems 2026-02-02 Joel Hirst , Lorna Sibson , Adel Tayeb , Ben Poole , Megan Sampson , Wiera Bielajewa , Michael Atkinson , Alex Marsh , Rory Spencer , Rob Hamill , Cory Hamelin , Allan Harte , Lloyd Fletcher

Directed evolution is a molecular biology technique that is transforming protein engineering by creating proteins with desirable properties and functions. However, it is experimentally impossible to perform the deep mutational scanning of…

Biomolecules · Quantitative Biology 2023-06-09 Yuchi Qiu , Guo-Wei Wei
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