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The computational complexity of calculating phase diagrams for multi-parameter models significantly limits the ability to select parameters that correspond to experimental data. This work presents a machine learning method for solving the…

Computational Physics · Physics 2026-05-01 V. A. Ulitko , D. N. Yasinskaya , S. A. Bezzubin , A. A. Koshelev , Y. D. Panov

Chemical and biomass processing systems release volatile matter compounds into the environment daily. Catalytic reforming can convert these compounds into valuable fuels, but developing stable and efficient catalysts is challenging. Machine…

Accurate and efficient temperature prediction is critical for optimizing the preheating process of PET preforms in industrial microwave systems prior to blow molding. We propose a novel deep learning framework for generalized temperature…

Machine Learning · Computer Science 2025-10-08 Ahmad Alsheikh , Andreas Fischer

Predicting the outcome of a chemical reaction using efficient computational models can be used to develop high-throughput screening techniques. This can significantly reduce the number of experiments needed to be performed in a huge search…

Ambient air pollution poses significant health and environmental challenges. Exposure to high concentrations of PM$_{2.5}$ have been linked to increased respiratory and cardiovascular hospital admissions, more emergency department visits…

Applications · Statistics 2026-02-27 Zeinab Mohamed , Wenlong Gong

Predicting the chemical properties of compounds is crucial in discovering novel materials and drugs with specific desired characteristics. Recent significant advances in machine learning technologies have enabled automatic predictive…

Quantitative Methods · Quantitative Biology 2021-12-10 Yang Liu , Hisashi Kashima

Dynamical weather and climate prediction models underpin many studies of the Earth system and hold the promise of being able to make robust projections of future climate change based on physical laws. However, simulations from these models…

Atmospheric and Oceanic Physics · Physics 2019-09-04 Peter A. G. Watson

Over the past decade, the number of wildfire has increased significantly around the world, especially in the State of California. The high-level concentration of greenhouse gas (GHG) emitted by wildfires aggravates global warming that…

Machine Learning · Computer Science 2021-08-23 Sifat Chowdhury , Kai Zhu , Yu Zhang

Development of robust concrete mixes with a lower environmental impact is challenging due to natural variability in constituent materials and a multitude of possible combinations of mix proportions. Making reliable property predictions with…

Machine Learning · Computer Science 2023-04-25 Jessica C. Forsdyke , Bahdan Zviazhynski , Janet M. Lees , Gareth J. Conduit

Machine Learning is a powerful tool to reveal and exploit correlations in a multi-dimensional parameter space. Making predictions from such correlations is a highly non-trivial task, in particular when the details of the underlying dynamics…

High Energy Physics - Phenomenology · Physics 2019-01-30 Christoph Englert , Peter Galler , Philip Harris , Michael Spannowsky

Recent progress in machine learning has sparked increased interest in utilizing this technology to predict the outcomes of chemical reactions. The ultimate aim of such endeavors is to develop a universal model that can predict products for…

Chemical Physics · Physics 2025-07-03 Daniel Julian , Jesús Pérez-Ríos

Emissions of nitric oxide and nitrogen dioxide, which are named as NOx, are a major environmental and health concern.To react to the climate crisis, the South Korean government has strengthened NOx emission regulations. An accurate NOx…

Applications · Statistics 2023-11-28 Sangdeok Lee , MinChung Kim

In this era of exoplanet characterisation with JWST, the need for a fast implementation of classical forward models to understand the chemical and physical processes in exoplanet atmospheres is more important than ever. Notably, the…

Earth and Planetary Astrophysics · Physics 2023-06-28 Julius L. A. M. Hendrix , Amy J. Louca , Yamila Miguel

Tabular datasets are ubiquitous in data science applications. Given their importance, it seems natural to apply state-of-the-art deep learning algorithms in order to fully unlock their potential. Here we propose neural network models that…

Machine Learning · Computer Science 2021-02-15 Inkit Padhi , Yair Schiff , Igor Melnyk , Mattia Rigotti , Youssef Mroueh , Pierre Dognin , Jerret Ross , Ravi Nair , Erik Altman

Measuring the performance of solar energy and heat transfer systems requires a lot of time, economic cost and manpower. Meanwhile, directly predicting their performance is challenging due to the complicated internal structures. Fortunately,…

Artificial Intelligence · Computer Science 2017-10-09 Hao Li , Zhijian Liu

Renewable and sustainable energy is one of the most important challenges currently facing mankind. Wind has made an increasing contribution to the world's energy supply mix, but still remains a long way from reaching its full potential. In…

Neural and Evolutionary Computing · Computer Science 2022-12-05 Richard J. Preen , Larry Bull

State-of-the-art space science missions increasingly rely on automation due to spacecraft complexity and the costs of human oversight. The high volume of data, including scientific and telemetry data, makes manual inspection challenging.…

Machine Learning · Computer Science 2024-11-11 Pablo Gómez , Roland D. Vavrek , Guillermo Buenadicha , John Hoar , Sandor Kruk , Jan Reerink

This paper presents a data-driven approach to mitigate the effects of air pollution from industrial plants on nearby cities by linking operational decisions with weather conditions. Our method combines predictive and prescriptive machine…

Machine Learning · Computer Science 2023-03-23 Dimitris Bertsimas , Leonard Boussioux , Cynthia Zeng

This study explores the effectiveness of predictive maintenance models and the optimization of intelligent Operation and Maintenance (O&M) systems in improving wind power generation efficiency. Through qualitative research, structured…

Systems and Control · Electrical Eng. & Systems 2025-08-21 Xun Liu , Xiaobin Wu , Jiaqi He , Rajan Das Gupta

Due to the extensive availability of operation data, data-driven methods show strong capabilities in predicting building energy loads. Buildings with similar features often share energy patterns, reflected by spatial dependencies in their…

Machine Learning · Computer Science 2025-07-29 Yongzheng Liu , Yiming Wang , Po Xu , Yingjie Xu , Yuntian Chen , Dongxiao Zhang