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In this paper, we use support vector machines (SVM) to develop a machine learning framework to discover phase space structures that distinguish between distinct reaction pathways. The SVM model is trained using data from trajectories of…

Chemical Physics · Physics 2022-01-06 Vladimír Krajňák , Shibabrat Naik , Stephen Wiggins

Machine learning is capable of discriminating phases of matter, and finding associated phase transitions, directly from large data sets of raw state configurations. In the context of condensed matter physics, most progress in the field of…

Statistical Mechanics · Physics 2017-12-06 Pedro Ponte , Roger G. Melko

Support vector machines (SVMs) appeared in the early nineties as optimal margin classifiers in the context of Vapnik's statistical learning theory. Since then SVMs have been successfully applied to real-world data analysis problems, often…

Statistics Theory · Mathematics 2016-08-16 Javier M. Moguerza , Alberto Muñoz

Machine learning techniques applied to chemical reactions has a long history. The present contribution discusses applications ranging from small molecule reaction dynamics to platforms for reaction planning. ML-based techniques can be of…

Chemical Physics · Physics 2021-01-12 M. Meuwly

Support vector machine (SVM), is a popular kernel method for data classification that demonstrated its efficiency for a large range of practical applications. The method suffers, however, from some weaknesses including; time processing,…

Machine Learning · Computer Science 2023-08-23 Lakhdar Remaki

We have made initial studies of the potential of support vector machines (SVM) for providing statistical models of nuclear systematics with demonstrable predictive power. Using SVM regression and classification procedures, we have created…

Nuclear Theory · Physics 2007-05-23 Haochen Li , J. W. Clark , E. Mavrommatis , S. Athanassopoulos , K. A. Gernoth

Support Vector Machines (SVMs) are among the most popular classification techniques adopted in security applications like malware detection, intrusion detection, and spam filtering. However, if SVMs are to be incorporated in real-world…

In this paper we promote the use of Support Vector Machines (SVM) as a machine learning tool for searches in high-energy physics. As an example for a new- physics search we discuss the popular case of Supersymmetry at the Large Hadron…

High Energy Physics - Experiment · Physics 2022-11-16 Mehmet Özgür Sahin , Dirk Krücker , Isabell-Alissandra Melzer-Pellmann

The purpose of this report is in examining the generalization performance of Support Vector Machines (SVM) as a tool for pattern recognition and object classification. The work is motivated by the growing popularity of the method that is…

Machine Learning · Computer Science 2014-12-16 Eugene Borovikov

The Support Vector Machine (SVM) of Vapnik (1998) has become widely established as one of the leading approaches to pattern recognition and machine learning. It expresses predictions in terms of a linear combination of kernel functions…

Machine Learning · Computer Science 2013-01-18 Christopher M. Bishop , Michael Tipping

The support vector machines (SVM) algorithm is a popular classification technique in data mining and machine learning. In this paper, we propose a distributed SVM algorithm and demonstrate its use in a number of applications. The algorithm…

Machine Learning · Computer Science 2019-05-02 Taiping He , Tao Wang , Ralph Abbey , Joshua Griffin

Multivariate data analysis techniques have the potential to improve physics analyses in many ways. The common classification problem of signal/background discrimination is one example. The Support Vector Machine learning algorithm is a…

High Energy Physics - Experiment · Physics 2009-11-07 A. Vaiciulis

Support vector machine (SVM) is a particularly powerful and flexible supervised learning model that analyzes data for both classification and regression, whose usual algorithm complexity scales polynomially with the dimension of data space…

Machine Learning · Computer Science 2023-03-08 Chen Ding , Tian-Yi Bao , He-Liang Huang

Advances in statistical learning theory present the opportunity to develop statistical models of quantum many-body systems exhibiting remarkable predictive power. The potential of such ``theory-thin'' approaches is illustrated with the…

Nuclear Theory · Physics 2008-11-26 John W. Clark , Haochen Li

The training of Support Vector Machines may be a very difficult task when dealing with very large datasets. The memory requirement and the time consumption of the SVMs algorithms grow rapidly with the increase of the data. To overcome these…

Optimization and Control · Mathematics 2015-11-04 Andrea Manno , Laura Palagi , Simone Sagratella

Support Vector Machines (SVM), a popular machine learning technique, has been applied to a wide range of domains such as science, finance, and social networks for supervised learning. Whether it is identifying high-risk patients by…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-06-20 Jeyanthi Narasimhan , Abhinav Vishnu , Lawrence Holder , Adolfy Hoisie

Machine learning methods have had spectacular success on numerous problems. Here we show that a prominent class of learning algorithms - including Support Vector Machines (SVMs) -- have a natural interpretation in terms of ecological…

Machine Learning · Computer Science 2020-08-26 Owen Howell , Cui Wenping , Robert Marsland , Pankaj Mehta

Due to the intrinsic complexity and nonlinearity of chemical reactions, direct applications of traditional machine learning algorithms may face with many difficulties. In this study, through two concrete examples with biological background,…

Molecular Networks · Quantitative Biology 2020-06-02 Wuyue Yang , Liangrong Peng , Yi Zhu , Liu Hong

Support Vector Machines (SVMs) with various kernels have played dominant role in machine learning for many years, finding numerous applications. Although they have many attractive features interpretation of their solutions is quite…

Machine Learning · Computer Science 2019-01-29 Tomasz Maszczyk , Włodzisław Duch

Support vector machine (SVM) is one of the most studied paradigms in the realm of machine learning for classification and regression problems. It relies on vectorized input data. However, a significant portion of the real-world data exists…

Machine Learning · Computer Science 2023-10-31 Anuradha Kumari , Mushir Akhtar , Rupal Shah , M. Tanveer
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