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Proton exchange membrane (PEM) electrolyzers are pivotal for sustainable hydrogen production, yet their long-term performance is hindered by membrane degradation, which poses reliability and safety challenges. Therefore, accurate modeling…

Computational Engineering, Finance, and Science · Computer Science 2025-07-08 Alejandro Polo-Molina , Jose Portela , Luis Alberto Herrero Rozas , Román Cicero González

Green hydrogen plays an essential role in decarbonization, with capacity projected to scale to 560 GW by 2030 (vs. 1.39 GW in 2023) in net-zero settings. Proton exchange membrane (PEM) electrolysis is one of the most promising technology…

Machine Learning · Computer Science 2026-05-20 Bingqing Chen , Ivan Batalov , Qiu Chen , Weiqi Ji , Lei Cheng

Simulating ecohydrological processes is essential for understanding complex environmental systems and guiding sustainable management amid accelerating climate change and human pressures. Process-based models provide physical realism but can…

Machine Learning · Computer Science 2025-09-03 Long Jiang , Yang Yang , Ting Fong May Chui , Morgan Thornwell , Hoshin Vijai Gupta

Widespread adoption of high-temperature polymer electrolyte membrane fuel cells (HT-PEMFCs) and HT-PEM electrochemical hydrogen pumps (HT-PEM ECHPs) requires models and computational tools that provide accurate scale-up and optimization.…

Machine Learning · Computer Science 2022-03-01 Luis A. Briceno-Mena , Christopher G. Arges , Jose A. Romagnoli

There is a growing consensus that solutions to complex science and engineering problems require novel methodologies that are able to integrate traditional physics-based modeling approaches with state-of-the-art machine learning (ML)…

Computational Physics · Physics 2022-03-15 Jared Willard , Xiaowei Jia , Shaoming Xu , Michael Steinbach , Vipin Kumar

Hydrogen is vital for sectors like chemicals and others, driven by the need to reduce carbon emissions. Proton Electrolyte Membrane Water Electrolysis (PEMWE) is a key technology for the production of green hydrogen under fluctuating…

Numerical Analysis · Mathematics 2024-10-10 Dayron Chang Dominguez , An Phuc Dam , Thomas Richter , Kai Sundmacher , Shaun M. Alia

Process optimization in chemical engineering may be hindered by the limited availability of reliable thermodynamic data for fluid mixtures. Remarkable progress is being made in predicting thermodynamic mixture properties by machine learning…

Computational Engineering, Finance, and Science · Computer Science 2025-10-14 Martin Bubel , Tobias Seidel , Michael Bortz

Imposing physical constraints on neural networks as a method of knowledge embedding has achieved great progress in solving physical problems described by governing equations. However, for many engineering problems, governing equations often…

Machine Learning · Computer Science 2022-05-12 Mengge Du , Yuntian Chen , Dongxiao Zhang

The demand for a huge amount of data for machine learning (ML) applications is currently a bottleneck in an empirically dominated field. We propose a method to combine prior knowledge with data-driven methods to significantly reduce their…

Machine Learning · Computer Science 2023-03-06 Xia Chen , Manav Mahan Singh , Philipp Geyer

Heterogeneous information networks(HINs) become popular in recent years for its strong capability of modelling objects with abundant information using explicit network structure. Network embedding has been proved as an effective method to…

Machine Learning · Computer Science 2021-04-12 Xinyi Zhang , Lihui Chen

Machine Learning (ML) based prognostics and health monitoring (PHM) tools provide new opportunities for manufacturers to operate and maintain their equipment in a risk-optimized manner and utilize it more sustainably along its lifecycle.…

Machine Learning · Computer Science 2024-05-15 Christoph Netsch , Till Schöpe , Benedikt Schindele , Joyam Jayakumar

To further develop accurate and large-scale simulations of electrochemical interfaces, we propose a unified explicit electric potential framework to simultaneously predict atomic forces and electron density distributions. The framework…

Chemical Physics · Physics 2026-04-14 Jingwen Zhou , Yawen Yu , Xuwei Liu , Chungen Liu

Many machine learning algorithms have been developed in recent years to enhance the performance of a model in different aspects of artificial intelligence. But the problem persists due to inadequate data and resources. Integrating knowledge…

Machine Learning · Computer Science 2022-12-13 Himel Das Gupta , Victor S. Sheng

This article firstly attempts to explore parallel algorithms of learning distributed representations for both entities and relations in large-scale knowledge repositories with {\it MapReduce} programming model on a multi-core processor. We…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-09-04 Miao Fan , Qiang Zhou , Thomas Fang Zheng , Ralph Grishman

Large Multimodal Models (LMMs) store vast amounts of pretrained knowledge but struggle to remain aligned with real-world updates, making it difficult to avoid capability degradation when acquiring evolving knowledge. Furthermore, most…

Computation and Language · Computer Science 2026-02-27 Kailin Jiang , Yuntao Du , Yukai Ding , Yuchen Ren , Ning Jiang , Zhi Gao , Zilong Zheng , Lei Liu , Bin Li , Qing Li

Representation learning is a fundamental building block for analyzing entities in a database. While the existing embedding learning methods are effective in various data mining problems, their applicability is often limited because these…

Machine Learning · Computer Science 2020-09-24 Chin-Chia Michael Yeh , Dhruv Gelda , Zhongfang Zhuang , Yan Zheng , Liang Gou , Wei Zhang

Although large language models (LLMs) excel in knowledge recall and reasoning, their static nature leads to outdated information as the real world evolves or when adapting to domain-specific knowledge, highlighting the need for effective…

Computation and Language · Computer Science 2025-04-02 Ruoxi Xu , Yunjie Ji , Boxi Cao , Yaojie Lu , Hongyu Lin , Xianpei Han , Ben He , Yingfei Sun , Xiangang Li , Le Sun

Embeddings are a powerful way to enrich data-driven machine learning models with the world knowledge of large language models (LLMs). Yet, there is limited evidence on how to design effective LLM-based embedding pipelines for tabular…

Machine Learning · Computer Science 2026-03-19 Oksana Kolomenko , Ricardo Knauer , Erik Rodner

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

Deep learning methods usually require a large amount of training data and lack interpretability. In this paper, we propose a novel knowledge distillation and model interpretation framework for medical image classification that jointly…

Computer Vision and Pattern Recognition · Computer Science 2022-01-13 Thanh Nguyen-Duc , He Zhao , Jianfei Cai , Dinh Phung
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