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Machine learning has emerged as a powerful tool for predicting molecular properties in chemical reaction networks with reduced computational cost. However, accurately predicting energies of transition state (TS) structures remains a…

Chemical Physics · Physics 2025-04-29 Stefan Gugler , Markus Reiher

The application of transfer learning, leveraging knowledge from source domains to enhance model performance in a target domain, has significantly grown, supporting diverse real-world applications. Its success often relies on shared…

Machine Learning · Computer Science 2024-07-19 Runxue Bao , Yiming Sun , Yuhe Gao , Jindong Wang , Qiang Yang , Zhi-Hong Mao , Ye Ye

Accurate forecasts of photovoltaic power generation (PVPG) are essential to optimize operations between energy supply and demand. Recently, the propagation of sensors and smart meters has produced an enormous volume of data, which supports…

Machine Learning · Computer Science 2022-06-14 Xing Luo , Dongxiao Zhang

Faults in HVAC systems degrade thermal comfort and energy efficiency in buildings and have received significant attention from the research community, with data driven methods gaining in popularity. Yet the lack of labeled data, such as…

Machine Learning · Computer Science 2020-02-05 Chase P. Dowling , Baosen Zhang

The rising demand for electricity and its essential nature in today's world calls for intelligent home energy management (HEM) systems that can reduce energy usage. This involves scheduling of loads from peak hours of the day when energy…

Signal Processing · Electrical Eng. & Systems 2020-12-30 Alwyn Mathew , Abhijit Roy , Jimson Mathew

In the recommendation systems, there are multiple business domains to meet the diverse interests and needs of users, and the click-through rate(CTR) of each domain can be quite different, which leads to the demand for CTR prediction…

Information Retrieval · Computer Science 2023-06-30 Wei Zhang , Pengye Zhang , Bo Zhang , Xingxing Wang , Dong Wang

On edge devices, data scarcity occurs as a common problem where transfer learning serves as a widely-suggested remedy. Nevertheless, transfer learning imposes a heavy computation burden to resource-constrained edge devices. Existing task…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-07-07 Zimu Zheng , Qiong Chen , Chuang Hu , Dan Wang , Fangming Liu

Discrete diffusion models (DMs) have achieved strong performance in language and other discrete domains, offering a compelling alternative to autoregressive modeling. Yet this performance typically depends on large training datasets,…

Machine Learning · Computer Science 2026-04-16 Julian Kleutgens , Claudio Battiloro , Lingkai Kong , Benjamin Grewe , Francesca Dominici , Mauricio Tec

Recent advances in machine learning such as Long Short-Term Memory (LSTM) models and Transformers have been widely adopted in hydrological applications, demonstrating impressive performance amongst deep learning models and outperforming…

Making the control of building heating systems more energy efficient is crucial for reducing global energy consumption and greenhouse gas emissions. Traditional rule-based control methods use a static, outdoor temperature-dependent heating…

Applications · Statistics 2025-10-17 Emma Hannula , Arttu Häkkinen , Antti Solonen , Felipe Uribe , Jana de Wiljes , Lassi Roininen

The thermal conductivity of organic liquids is a vital parameter influencing various industrial and environmental applications, including energy conversion, electronics cooling, and chemical processing. However, atomistic simulation of…

We propose a novel approach to data-driven modeling of a transient production of oil wells. We apply the transformer-based neural networks trained on the multivariate time series composed of various parameters of oil wells measured during…

Machine Learning · Computer Science 2021-10-13 Ildar Abdrakhmanov , Evgenii Kanin , Sergei Boronin , Evgeny Burnaev , Andrei Osiptsov

Residential electric water heaters have significant load shifting capabilities due to their thermal heat capacity and large energy consumption. Model predictive control (MPC) has been shown to be an effective control strategy to enable…

Systems and Control · Electrical Eng. & Systems 2023-12-08 Elizabeth Buechler , Aaron Goldin , Ram Rajagopal

Short Term Load Forecast (STLF) is necessary for effective scheduling, operation optimization trading, and decision-making for electricity consumers. Modern and efficient machine learning methods are recalled nowadays to manage complicated…

Applications · Statistics 2021-10-20 Junjie Hu , Brenda López Cabrera , Awdesch Melzer

This paper considers a demand response agent that must find a near-optimal sequence of decisions based on sparse observations of its environment. Extracting a relevant set of features from these observations is a challenging task and may…

Machine Learning · Computer Science 2020-01-28 Frederik Ruelens , Bert J. Claessens , Peter Vrancx , Fred Spiessens , Geert Deconinck

The predictive accuracy of density functional theory (DFT) for alloy formation enthalpies is often limited by intrinsic energy resolution errors, particularly in ternary phase stability calculations. In this work, we present a machine…

Materials Science · Physics 2025-03-10 Sergei I. Simak , Erna K. Delczeg-Czirjak , Olle Eriksson

Internet of Things (IoT) is an ever-evolving technological paradigm that is reshaping industries and societies globally. Real-time data collection, analysis, and decision-making facilitated by localization solutions form the foundation for…

Signal Processing · Electrical Eng. & Systems 2025-02-11 Abdullahi Isa Ahmed , Yaya Etiabi , Ali Waqar Azim , El Mehdi Amhoud

Data-driven prediction of fluid flow and temperature distribution in marine and aerospace engineering has received extensive research and demonstrated its potential in real-time prediction recently. However, usually large amounts of…

Fluid Dynamics · Physics 2023-08-02 Yanfang Lyu , Xiaoyu Zhao , Zhiqiang Gong , Xiao Kang , Wen Yao

In power grids, short-term load forecasting (STLF) is crucial as it contributes to the optimization of their reliability, emissions, and costs, while it enables the participation of energy companies in the energy market. STLF is a…

Short-term forecasting of residential electricity demand is an important task for utilities. Yet, many small and medium-sized utilities still use simple forecasting approaches such as Synthesized Load Profiles, which treat residential…

Computers and Society · Computer Science 2025-03-10 Daniel R. Bayer , Felix Haag , Marco Pruckner , Konstantin Hopf
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