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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…

机器学习 · 计算机科学 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,…

医学物理 · 物理学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

定量方法 · 定量生物学 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…

机器学习 · 计算机科学 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,…

化学物理 · 物理学 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,…

无序系统与神经网络 · 物理学 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…

机器学习 · 计算机科学 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…

计算物理 · 物理学 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…

计算机视觉与模式识别 · 计算机科学 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,…

计算与语言 · 计算机科学 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).…

计算机视觉与模式识别 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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.…

机器学习 · 计算机科学 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,…

计算机视觉与模式识别 · 计算机科学 2023-04-13 Haochen Wang , Kaiyou Song , Junsong Fan , Yuxi Wang , Jin Xie , Zhaoxiang Zhang