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Molecular conformation generation (MCG) is a fundamental and important problem in drug discovery. Many traditional methods have been developed to solve the MCG problem, such as systematic searching, model-building, random searching,…

Computational Engineering, Finance, and Science · Computer Science 2023-03-28 Gengmo Zhou , Zhifeng Gao , Zhewei Wei , Hang Zheng , Guolin Ke

Colorectal cancer remains a major global health concern, with early detection being pivotal for improving patient outcomes. In this study, we leveraged high throughput methylation profiling of cellfree DNA to identify and validate…

Genomics · Quantitative Biology 2025-05-19 Kartavya Mathur , Shipra Jain , Nisha Bajiya , Nishant Kumar , Gajendra P. S. Raghava

Embedding invisible hyperlinks or hidden codes in images to replace QR codes has become a hot topic recently. This technology requires first localizing the embedded region in the captured photos before decoding. Existing methods that train…

Computer Vision and Pattern Recognition · Computer Science 2024-05-07 Chengxin Zhao , Hefei Ling , Sijing Xie , Nan Sun , Zongyi Li , Yuxuan Shi , Jiazhong Chen

Anomalous crack region detection is a typical binary semantic segmentation task, which aims to detect pixels representing cracks on pavement surface images automatically by algorithms. Although existing deep learning-based methods have…

Computer Vision and Pattern Recognition · Computer Science 2024-03-11 Lei Xu , Moncef Gabbouj

We derive a new margin-based regularization formulation, termed multi-margin regularization (MMR), for deep neural networks (DNNs). The MMR is inspired by principles that were applied in margin analysis of shallow linear classifiers, e.g.,…

Machine Learning · Computer Science 2020-09-15 Berry Weinstein , Shai Fine , Yacov Hel-Or

Automated noninvasive cardiac diagnosis plays a critical role in the early detection of cardiac disorders and cost-effective clinical management. Automated diagnosis involves the automated segmentation and analysis of cardiac images.…

Image and Video Processing · Electrical Eng. & Systems 2025-04-21 Racheal Mukisa , Arvind K. Bansal

We present an efficient stochastic algorithm for the recently introduced perturbative density matrix renormalization group (p-DMRG) method for large active spaces. The stochastic implementation bypasses the computational bottleneck involved…

Chemical Physics · Physics 2018-08-01 Sheng Guo , Zhendong Li , Garnet Kin-Lic Chan

With recent technological advances, process logs, which were traditionally deterministic in nature, are being captured from non-deterministic sources, such as uncertain sensors or machine learning models (that predict activities using…

Machine Learning · Computer Science 2025-10-28 Maximilian Matyash , Avigdor Gal , Arik Senderovich

The rapid accumulation of Electronic Health Records (EHRs) has transformed healthcare by providing valuable data that enhance clinical predictions and diagnoses. While conventional machine learning models have proven effective, they often…

In this survey paper, we systematically summarize existing literature on bearing fault diagnostics with machine learning (ML) and data mining techniques. While conventional ML methods, including artificial neural network (ANN), principal…

Machine Learning · Computer Science 2020-02-20 Shen Zhang , Shibo Zhang , Bingnan Wang , Thomas G. Habetler

Smoking in public has been proven to be more harmful to nonsmokers, making it a huge public health concern with urgent need for proactive measures and attention by authorities. With the world moving towards the 4th Industrial Revolution,…

Computer Vision and Pattern Recognition · Computer Science 2021-12-16 Nakayiza Hellen , Ggaliwango Marvin

Recently, a number of competitive methods have tackled unsupervised representation learning by maximising the mutual information between the representations produced from augmentations. The resulting representations are then invariant to…

Computer Vision and Pattern Recognition · Computer Science 2020-03-20 Luke Nicholas Darlow , Amos Storkey

Modes and ridges of the probability density function behind observed data are useful geometric features. Mode-seeking clustering assigns cluster labels by associating data samples with the nearest modes, and estimation of density ridges…

Machine Learning · Statistics 2018-04-03 Hiroaki Sasaki , Takafumi Kanamori , Aapo Hyvärinen , Gang Niu , Masashi Sugiyama

Solving partial differential equations (PDEs) on complex domains can present significant computational challenges. The Diffuse Domain Method (DDM) is an alternative that reformulates the partial differential equations on a larger, simpler…

Numerical Analysis · Mathematics 2025-07-24 Luke Benfield , Andreas Dedner

Purpose: We aimed to develop deep machine learning (DL) models to improve the detection and segmentation of intraprostatic lesions (IL) on bp-MRI by using whole amount prostatectomy specimen-based delineations. We also aimed to investigate…

Image and Video Processing · Electrical Eng. & Systems 2020-10-30 Zhenzhen Dai , Ivan Jambor , Pekka Taimen , Milan Pantelic , Mohamed Elshaikh , Craig Rogers , Otto Ettala , Peter Boström , Hannu Aronen , Harri Merisaari , Ning Wen

Multivariable Mendelian randomization (MVMR) uses genetic variants as instrumental variables to infer the direct effects of multiple exposures on an outcome. However, unlike univariable Mendelian randomization, MVMR often faces greater…

Methodology · Statistics 2025-08-19 Yinxiang Wu , Hyunseung Kang , Ting Ye

The Dirichlet Process Mixture Model (DPMM) is a Bayesian non-parametric approach widely used for density estimation and clustering. In this manuscript, we study the choice of prior for the variance or precision matrix when Gaussian kernels…

Methodology · Statistics 2022-02-09 Wei Jing , Michail Papathomas , Silvia Liverani

We describe a low cost alternative to the standard variational DMRG (density matrix renormalization group) algorithm that is analogous to the combination of selected configuration interaction plus perturbation theory (SCI+PT). We denote the…

Chemical Physics · Physics 2018-03-28 Sheng Guo , Zhendong Li , Garnet Kin-Lic Chan

Motivation: Detecting local correlations in expression between neighbor genes along the genome has proved to be an effective strategy to identify possible causes of transcriptional deregulation in cancer. It has been successfully used to…

Deep distance metric learning (DDML), which is proposed to learn image similarity metrics in an end-to-end manner based on the convolution neural network, has achieved encouraging results in many computer vision tasks.$L2$-normalization in…

Computer Vision and Pattern Recognition · Computer Science 2018-03-29 Xuefei Zhe , Shifeng Chen , Hong Yan