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Machine learning has revolutionized materials property prediction, yet fails catastrophically when extrapolating beyond training distributions-precisely the capability required for discovering unprecedented materials. Graph neural networks…

Materials Science · Physics 2026-02-23 Tasuku Sugiura , Teruyasu Mizoguchi

Progress in the application of machine learning (ML) methods to materials design is hindered by the lack of understanding of the reliability of ML predictions, in particular for the application of ML to small data sets often found in…

Materials Science · Physics 2023-04-06 Evan M. Askanazi , Emanuel A. Lazar , Ilya Grinberg

With the rapid increase in residential heat pump (HP) installations, optimizing hot water production in households is essential, yet it faces major technical and scalability challenges. Adapting production to actual household needs requires…

Machine Learning · Computer Science 2026-02-17 Manal Rahal , Bestoun S. Ahmed , Roger Renström , Robert Stener

Traditional textile factories consume substantial energy, making energy-efficient production optimization crucial for sustainability and cost reduction. Meanwhile, deep neural networks (DNNs), which are effective for factory output…

Signal Processing · Electrical Eng. & Systems 2026-01-21 Yan-Chen Chen , Wei-Yu Chiu , Qun-Yu Wang , Jing-Wei Chen , Hao-Ting Zhao

Machine Learning (ML)-based force fields are attracting ever-increasing interest due to their capacity to span spatiotemporal scales of classical interatomic potentials at quantum-level accuracy. They can be trained based on high-fidelity…

Chemical Physics · Physics 2024-06-03 Sebastien Röcken , Julija Zavadlav

Precision weed management offers a promising solution for sustainable cropping systems through the use of chemical-reduced/non-chemical robotic weeding techniques, which apply suitable control tactics to individual weeds. Therefore,…

Computer Vision and Pattern Recognition · Computer Science 2021-10-12 Dong Chen , Yuzhen Lu , Zhaojiang Li , Sierra Young

Over the last years, machine learning tools have been successfully applied to a wealth of problems in high-energy physics. A typical example is the classification of physics objects. Supervised machine learning methods allow for significant…

Data Analysis, Statistics and Probability · Physics 2017-09-26 Rüdiger Haake

Machine learning (ML) has emerged as a powerful tool for accelerating the computational design and production of materials. In materials science, ML has primarily supported large-scale discovery of novel compounds using first-principles…

Material classification in natural settings is a challenge due to complex interplay of geometry, reflectance properties, and illumination. Previous work on material classification relies strongly on hand-engineered features of visual…

Computer Vision and Pattern Recognition · Computer Science 2016-09-21 Patrick Wieschollek , Hendrik P. A. Lensch

Transfer learning is a popular practice in deep neural networks, but fine-tuning of large number of parameters is a hard task due to the complex wiring of neurons between splitting layers and imbalance distributions of data in pretrained…

Machine Learning · Computer Science 2017-10-23 Arash Shahriari

We propose a machine learning approach to address a key challenge in materials science: predicting how fractures propagate in brittle materials under stress, and how these materials ultimately fail. Our methods use deep learning and train…

Deep transfer learning techniques try to tackle the limitations of deep learning, the dependency on extensive training data and the training costs, by reusing obtained knowledge. However, the current DTL techniques suffer from either…

Machine Learning · Computer Science 2023-05-12 Mohammadreza Iman , John A. Miller , Khaled Rasheed , Robert M. Branch , Hamid R. Arabnia

Transfer Learning enables Convolutional Neural Networks (CNN) to acquire knowledge from a source domain and transfer it to a target domain, where collecting large-scale annotated examples is time-consuming and expensive. Conventionally,…

Computer Vision and Pattern Recognition · Computer Science 2024-01-25 S. H. Shabbeer Basha , Debapriya Tula , Sravan Kumar Vinakota , Shiv Ram Dubey

Federated learning enables many applications benefiting distributed and private datasets of a large number of potential data-holding clients. However, different clients usually have their own particular objectives in terms of the tasks to…

Machine Learning · Computer Science 2022-07-19 Cihat Keçeci , Mohammad Shaqfeh , Hayat Mbayed , Erchin Serpedin

Latent space model plays a crucial role in network analysis, and accurate estimation of latent variables is essential for downstream tasks such as link prediction. However, the large number of parameters to be estimated presents a…

Methodology · Statistics 2025-09-22 Kuangnan Fang , Ruixuan Qin , Xinyan Fan

Deep learning models achieve state-of-the-art performance across domains but face scalability challenges in real-time or resource-constrained scenarios. To address this, we propose Loss Trajectory Correlation (LTC), a novel metric for…

Machine Learning · Computer Science 2025-03-14 Manish Nagaraj , Deepak Ravikumar , Efstathia Soufleri , Kaushik Roy

Thermoelectric materials can achieve direct energy conversion between electricity and heat, thus can be applied to waste heat harvesting and solid-state cooling. The discovery of new thermoelectric materials is mainly based on experiments…

Materials Science · Physics 2024-05-07 Tao Fan , Artem R. Oganov

We develop new algorithms for estimating heterogeneous treatment effects, combining recent developments in transfer learning for neural networks with insights from the causal inference literature. By taking advantage of transfer learning,…

Advancements in sensing and computing technologies, the development of human and computer interaction frameworks, big data storage capabilities, and the emergence of cloud storage and could computing have resulted in an abundance of data in…

Machine Learning · Computer Science 2020-07-07 Ramin Moradi , Katrina M. Groth

Selection of solution concentrations and flow rates for the fabrication of microfibers using a microfluidic device is a largely empirical endeavor of trial-and-error, largely due to the difficulty of modeling such a multiphysics process.…

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