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Scientific research's mandate is to comprehend and explore the world, as well as to improve it based on experience and knowledge. Knowledge embedding and knowledge discovery are two significant methods of integrating knowledge and data.…

Artificial Intelligence · Computer Science 2022-04-12 Yuntian Chen , Dongxiao Zhang

In recent years, the use of Machine Learning (ML) in computational chemistry has enabled numerous advances previously out of reach due to the computational complexity of traditional electronic-structure methods. One of the most promising…

Machine Learning (ML) techniques are encountered nowadays across disciplines, from social sciences, through natural sciences to engineering. The broad application of ML and the accelerated pace of its evolution lead to an increasing need…

Given inputs of diverse soil characteristics and climate data gathered from various regions, we aimed to build a model to predict accurate land emissions. The problem is important since accurate quantification of the carbon cycle in…

Machine Learning · Computer Science 2025-04-24 Arun Sharma , Majid Farhadloo , Mingzhou Yang , Ruolei Zeng , Subhankar Ghosh , Shashi Shekhar

Continual learning in computer vision faces the critical challenge of catastrophic forgetting, where models struggle to retain prior knowledge while adapting to new tasks. Although recent studies have attempted to leverage the…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Xusheng Cao , Haori Lu , Linlan Huang , Fei Yang , Xialei Liu , Ming-Ming Cheng

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

Machine Learning (ML) models are trained using historical data to classify new, unseen data. However, traditional computing resources often struggle to handle the immense amount of data, commonly known as Big Data, within a reasonable time…

Quantum Physics · Physics 2024-11-01 Minati Rath , Hema Date

This chapter is a preprint from our book by , focusing on leveraging machine learning (ML) in chemical and polyolefin manufacturing optimization. It's crafted for both novices and seasoned professionals keen on the latest ML applications in…

Machine Learning · Computer Science 2024-01-23 Niket Sharma , Y. A. Liu

Accurate and cost-effective quantification of the agroecosystem carbon cycle at decision-relevant scales is essential for climate mitigation and sustainable agriculture. However, both transfer learning and the exploitation of spatial…

Machine Learning · Computer Science 2025-12-19 Ruolei Zeng , Arun Sharma , Shuai An , Mingzhou Yang , Shengya Zhang , Licheng Liu , David Mulla , Shashi Shekhar

In recent years, the potential applications of Large Multimodal Models (LMMs) in fields such as healthcare, social psychology, and industrial design have attracted wide research attention, providing new directions for human factors…

Human-Computer Interaction · Computer Science 2024-05-24 Li Fan , Lee Ching-Hung , Han Su , Feng Shanshan , Jiang Zhuoxuan , Sun Zhu

Recent advancements in visiolinguistic (VL) learning have allowed the development of multiple models and techniques that offer several impressive implementations, able to currently resolve a variety of tasks that require the collaboration…

Computation and Language · Computer Science 2024-05-06 Maria Lymperaiou , Giorgos Stamou

Machine learning (ML) has transformed numerous fields, but understanding its foundational research is crucial for its continued progress. This paper presents an overview of the significant classical ML algorithms and examines the…

The convergence of statistical learning and molecular physics is transforming our approach to modeling biomolecular systems. Physics-informed machine learning (PIML) offers a systematic framework that integrates data-driven inference with…

Biomolecules · Quantitative Biology 2025-11-11 Aaryesh Deshpande

Machine learning (ML) is increasingly adopted in scientific research, yet the quality and reliability of results often depend on how experiments are designed and documented. Poor baselines, inconsistent preprocessing, or insufficient…

Machine Learning · Computer Science 2025-12-01 Umberto Michelucci , Francesca Venturini

The optimal design of compounds through manipulating properties at the molecular level is often the key to considerable scientific advances and improved process systems performance. This paper highlights key trends, challenges, and…

Biomolecules · Quantitative Biology 2020-07-13 Abdulelah S. Alshehri , Rafiqul Gani , Fengqi You

Machine learning methods have been remarkably successful for a wide range of application areas in the extraction of essential information from data. An exciting and relatively recent development is the uptake of machine learning in the…

Machine Learning · Computer Science 2020-03-13 Ribana Roscher , Bastian Bohn , Marco F. Duarte , Jochen Garcke

Open-world machine learning is an emerging technique in artificial intelligence, where conventional machine learning models often follow closed-world assumptions, which can hinder their ability to retain previously learned knowledge for…

Machine Learning · Computer Science 2025-11-26 Jitendra Parmar , Praveen Singh Thakur

In this paper, we introduce a novel framework for combining scientific knowledge within physics-based models and recurrent neural networks to advance scientific discovery in many dynamical systems. We will first describe the use of outputs…

Machine Learning · Computer Science 2018-10-09 Xiaowei Jia , Anuj Karpatne , Jared Willard , Michael Steinbach , Jordan Read , Paul C Hanson , Hilary A Dugan , Vipin Kumar

In recent years, conventional chemistry techniques have faced significant challenges due to their inherent limitations, struggling to cope with the increasing complexity and volume of data generated in contemporary research endeavors.…

Machine learning (ML) is increasingly being adopted in a wide variety of application domains. Usually, a well-performing ML model relies on a large volume of training data and high-powered computational resources. Such a need for and the…

Machine Learning · Computer Science 2021-09-23 Runhua Xu , Nathalie Baracaldo , James Joshi