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Synthesis of advanced inorganic materials with minimum number of trials is of paramount importance towards the acceleration of inorganic materials development. The enormous complexity involved in existing multi-variable synthesis methods…

Materials Science · Physics 2020-11-02 Bijun Tang , Yuhao Lu , Jiadong Zhou , Han Wang , Prafful Golani , Manzhang Xu , Quan Xu , Cuntai Guan , Zheng Liu

Machine learning encompasses a broad range of algorithms and modeling tools used for a vast array of data processing tasks, which has entered most scientific disciplines in recent years. We review in a selective way the recent research on…

With the rise of electronic data, particularly Earth observation data, data-based geospatial modelling using machine learning (ML) has gained popularity in environmental research. Accurate geospatial predictions are vital for domain…

Machine Learning · Computer Science 2023-11-21 Diana Koldasbayeva , Polina Tregubova , Mikhail Gasanov , Alexey Zaytsev , Anna Petrovskaia , Evgeny Burnaev

High-throughput data generation methods and machine learning (ML) algorithms have given rise to a new era of computational materials science by learning relationships among composition, structure, and properties and by exploiting such…

Machine learning (ML) has emerged as a powerful tool for tackling complex regression and classification tasks, yet its success often hinges on the quality of training data. This study introduces an ML paradigm inspired by domain knowledge…

Machine Learning · Computer Science 2025-01-10 Mohsen Rashki

This study presents a broad perspective of hybrid process modeling and optimization combining the scientific knowledge and data analytics in bioprocessing and chemical engineering with a science-guided machine learning (SGML) approach. We…

Machine Learning · Computer Science 2022-01-26 Niket Sharma , Y. A. Liu

Machine learning (ML) provides powerful tools for predictive modeling. ML's popularity stems from the promise of sample-level prediction with applications across a variety of fields from physics and marketing to healthcare. However, if not…

Machine learning (ML) is a revolutionary technology with demonstrable applications across multiple disciplines. Within the Earth science community, ML has been most visible for weather forecasting, producing forecasts that rival modern…

The use of machine learning (ML) methods for development of robust and flexible visual inspection system has shown promising. However their performance is highly dependent on the amount and diversity of training data. This is often…

Computer Vision and Pattern Recognition · Computer Science 2024-10-22 Juraj Fulir , Natascha Jeziorski , Lovro Bosnar , Hans Hagen , Claudia Redenbach , Petra Gospodnetić , Tobias Herrfurth , Marcus Trost , Thomas Gischkat

Recently, Machine Learning (ML) methods are built-in as an important component in many smart agriculture platforms. In this paper, we explore the new combination of advanced ML methods for creating a smart agriculture platform where farmers…

Computer Vision and Pattern Recognition · Computer Science 2024-09-10 Aswath Muthuselvam , S. Sowdeshwar , M. Saravanan , Satheesh K. Perepu

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi

Machine learning (ML) is a promising approach for performing challenging quantum-information tasks such as device characterization, calibration and control. ML models can train directly on the data produced by a quantum device while…

Using machine learning (ML), high performance computing, and a large body of geospatial information, we develop surrogate models to predict soil liquefaction across regional scales. Two sets of models - one global and one specific to New…

Computational Engineering, Finance, and Science · Computer Science 2025-09-16 Morgan D. Sanger , Mertcan Geyin , Brett W. Maurer

Combining satellite imagery with machine learning (SIML) has the potential to address global challenges by remotely estimating socioeconomic and environmental conditions in data-poor regions, yet the resource requirements of SIML limit its…

Soil quality (SQ) plays a crucial role in sustainable agriculture, environmental conservation, and land-use planning. Traditional SQ assessment techniques rely on costly, labor-intensive sampling and laboratory analysis, limiting their…

Computational Engineering, Finance, and Science · Computer Science 2025-12-17 Habiba Ben Abderrahmane , Slimane Oulad-Naoui , Benameur Ziani

Machine learning (ML) is a rapidly evolving technology with expanding applications across various fields. This paper presents a comprehensive survey of recent ML applications in agriculture for sustainability and efficiency. Existing…

Machine Learning · Computer Science 2025-03-19 Aashu Katharria , Kanchan Rajwar , Millie Pant , Juan D. Velásquez , Václav Snášel , Kusum Deep

Idealized first-principles models of chemical plants can be inaccurate. An alternative is to fit a Machine Learning (ML) model directly to plant sensor data. We use a structured approach: Each unit within the plant gets represented by one…

Machine Learning · Computer Science 2024-01-12 Malte Esders , Gimmy Alex Fernandez Ramirez , Michael Gastegger , Satya Swarup Samal

In agricultural management, precise Ground Truth (GT) data is crucial for accurate Machine Learning (ML) based crop classification. Yet, issues like crop mislabeling and incorrect land identification are common. We propose a multi-level GT…

Computer Vision and Pattern Recognition · Computer Science 2025-03-18 Sanayya A , Amoolya Shetty , Abhijeet Sharma , Venkatesh Ravichandran , Masthan Wali Gosuvarapalli , Sarthak Jain , Priyamvada Nanjundiah , Ujjal Kr Dutta , Divya Sharma

There has been considerable growth and interest in industrial applications of machine learning (ML) in recent years. ML engineers, as a consequence, are in high demand across the industry, yet improving the efficiency of ML engineers…

Machine Learning · Computer Science 2020-05-05 Anh Truong , Austin Walters , Jeremy Goodsitt , Keegan Hines , C. Bayan Bruss , Reza Farivar

The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel, and predictive structure-property…