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The decline of the number of newly discovered mineral deposits and increase in demand for different minerals in recent years has led exploration geologists to look for more efficient and innovative methods for processing different data…

Machine Learning · Computer Science 2021-12-07 Hojat Shirmard , Ehsan Farahbakhsh , R. Dietmar Muller , Rohitash Chandra

Deep learning (DL) is gaining popularity as a parameter estimation method for quantitative MRI. A range of competing implementations have been proposed, relying on either supervised or self-supervised learning. Self-supervised approaches,…

Medical Physics · Physics 2024-01-24 Sean C. Epstein , Timothy J. P. Bray , Margaret Hall-Craggs , Hui Zhang

Reliable molecular property prediction is essential for various scientific endeavors and industrial applications, such as drug discovery. However, the data scarcity, combined with the highly non-linear causal relationships between…

Machine Learning · Computer Science 2025-01-14 Yue Wan , Jialu Wu , Tingjun Hou , Chang-Yu Hsieh , Xiaowei Jia

Probabilistic graphical models (PGMs) are widely used to discover latent structure in data, but their success hinges on selecting an appropriate model design. In practice, model specification is difficult and often requires iterative…

Machine Learning · Computer Science 2026-04-08 Kevin Zhang , Yixin Wang

Predicting molecular properties with data-driven methods has drawn much attention in recent years. Particularly, Graph Neural Networks (GNNs) have demonstrated remarkable success in various molecular generation and prediction tasks. In…

Quantitative Methods · Quantitative Biology 2021-10-19 Zaixi Zhang , Qi Liu , Hao Wang , Chengqiang Lu , Chee-Kong Lee

Partial Multi-label Learning (PML) is a type of weakly supervised learning where each training instance corresponds to a set of candidate labels, among which only some are true. In this paper, we introduce \our{}, a novel probabilistic…

Machine Learning · Computer Science 2024-03-13 Łukasz Struski , Adam Pardyl , Jacek Tabor , Bartosz Zieliński

Machine learning approaches have become popular for molecular modeling tasks, including molecular force fields and properties prediction. Traditional supervised learning methods suffer from scarcity of labeled data for particular tasks,…

Chemical Physics · Physics 2022-11-29 Xiang Gao , Weihao Gao , Wenzhi Xiao , Zhirui Wang , Chong Wang , Liang Xiang

Geoenergy projects (CO2 storage, geothermal, subsurface H2 generation/storage, critical minerals from subsurface fluids, or nuclear waste disposal) increasingly follow a petroleum-style funnel from screening and appraisal to operations,…

Disordered Systems and Neural Networks · Physics 2026-03-17 Hannah P. Menke , Ahmed H. Elsheikh , Lingli Wei , Nanzhe Wang , Andreas Busch

Parameter prediction is essential for many applications, facilitating insightful interpretation and decision-making. However, in many real life domains, such as power systems, medicine, and engineering, it can be very expensive to acquire…

Machine Learning · Computer Science 2024-02-16 Zimeng Lyu , Alexander Ororbia , Rui Li , Travis Desell

Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's…

Computational Physics · Physics 2019-03-12 Bhavya Kailkhura , Brian Gallagher , Sookyung Kim , Anna Hiszpanski , T. Yong-Jin Han

The recent emergence of deep learning has led to a great deal of work on designing supervised deep semantic segmentation algorithms. As in many tasks sufficient pixel-level labels are very difficult to obtain, we propose a method which…

Computer Vision and Pattern Recognition · Computer Science 2024-04-19 Matthias Schwab , Agnes Mayr , Markus Haltmeier

Multilevel models (MLMs) are a central building block of the Bayesian workflow. They enable joint, interpretable modeling of data across hierarchical levels and provide a fully probabilistic quantification of uncertainty. Despite their…

Pretrained language models (PLMs) often fail to fairly represent target users from certain world regions because of the under-representation of those regions in training datasets. With recent PLMs trained on enormous data sources,…

Computation and Language · Computer Science 2022-12-21 Fahim Faisal , Antonios Anastasopoulos

Like masked language modeling (MLM) in natural language processing, masked image modeling (MIM) aims to extract valuable insights from image patches to enhance the feature extraction capabilities of the underlying deep neural network (DNN).…

Computer Vision and Pattern Recognition · Computer Science 2023-11-30 Yixuan Luo , Mengye Ren , Sai Qian Zhang

Deep learning methodologies have been employed in several different fields, with an outstanding success in image recognition applications, such as material quality control, medical imaging, autonomous driving, etc. Deep learning models rely…

Computer Vision and Pattern Recognition · Computer Science 2022-03-11 Saul Calderon-Ramirez , Shengxiang Yang , David Elizondo

Masked Image Modeling (MIM) has emerged as a promising method for deriving visual representations from unlabeled image data by predicting missing pixels from masked portions of images. It excels in region-aware learning and provides strong…

Computer Vision and Pattern Recognition · Computer Science 2024-07-23 Yibing Wei , Abhinav Gupta , Pedro Morgado

MatSSL is a streamlined self-supervised learning (SSL) architecture that employs Gated Feature Fusion at each stage of the backbone to integrate multi-level representations effectively. Current micrograph analysis of metallic materials…

Computer Vision and Pattern Recognition · Computer Science 2025-07-29 Hoang Hai Nam Nguyen , Phan Nguyen Duc Hieu , Ho Won Lee

Process-Based Modeling (PBM) and Machine Learning (ML) are often perceived as distinct paradigms in the geosciences. Here we present differentiable geoscientific modeling as a powerful pathway toward dissolving the perceived barrier between…

Manifold learning (ML) aims to seek low-dimensional embedding from high-dimensional data. The problem is challenging on real-world datasets, especially with under-sampling data, and we find that previous methods perform poorly in this case.…

Machine Learning · Computer Science 2022-07-27 Zelin Zang , Siyuan Li , Di Wu , Ge Wang , Lei Shang , Baigui Sun , Hao Li , Stan Z. Li

Masked image modeling (MIM) has attracted much research attention due to its promising potential for learning scalable visual representations. In typical approaches, models usually focus on predicting specific contents of masked patches,…

Computer Vision and Pattern Recognition · Computer Science 2023-04-13 Haochen Wang , Kaiyou Song , Junsong Fan , Yuxi Wang , Jin Xie , Zhaoxiang Zhang