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Data-driven, machine learning (ML) models of atomistic interactions are often based on flexible and non-physical functions that can relate nuanced aspects of atomic arrangements into predictions of energies and forces. As a result, these…

Materials Science · Physics 2024-05-15 Bartosz Barzdajn , Christopher P. Race

In this article, we discuss some of the recent developments in applying machine learning (ML) techniques to nonlinear dynamical systems. In particular, we demonstrate how to build a suitable ML framework for addressing two specific…

Adaptation and Self-Organizing Systems · Physics 2020-11-30 Sayan Roy , Debanjan Rana

Shear viscosity, though being a fundamental property of all liquids, is computationally expensive to estimate from equilibrium molecular dynamics simulations. Recently, Machine Learning (ML) methods have been used to augment molecular…

Modern machine learning (ML) systems excel in recognising and classifying images with remarkable accuracy. However, like many computer software systems, they can fail by generating confusing or erroneous outputs or by deferring to human…

Machine Learning · Computer Science 2024-12-12 Milan Maksimovic , Ivan S. Maksymov

This paper explores machine learning (ML) models for classifying lung cancer levels to improve diagnostic accuracy and prognosis. Through parameter tuning and rigorous evaluation, we assess various ML algorithms. Techniques like minimum…

Artificial Intelligence · Computer Science 2024-12-05 Mohsen Asghari Ilani , Saba Moftakhar Tehran , Ashkan Kavei , Hamed Alizadegan

Deep Metric Learning (DML), a widely-used technique, involves learning a distance metric between pairs of samples. DML uses deep neural architectures to learn semantic embeddings of the input, where the distance between similar examples is…

Machine Learning · Computer Science 2021-02-16 Thomas Kobber Panum , Zi Wang , Pengyu Kan , Earlence Fernandes , Somesh Jha

Quantum Machine Learning (QML) offers a new paradigm for addressing complex financial problems intractable for classical methods. This work specifically tackles the challenge of few-shot credit risk assessment, a critical issue in inclusive…

Training of Machine Learning (ML) models in real contexts often deals with big data sets and high-class imbalance samples where the class of interest is unrepresented (minority class). Practical solutions using classical ML models address…

Machine Learning · Computer Science 2022-10-11 Germán E. Melo-Acosta , Freddy Duitama-Muñoz , Julián D. Arias-Londoño

Continual learning (CL) is a major challenge of machine learning (ML) and describes the ability to learn several tasks sequentially without catastrophic forgetting (CF). Recent works indicate that CL is a complex topic, even more so when…

Machine Learning · Computer Science 2022-06-09 Benedikt Bagus , Alexander Gepperth

Student's mental health problems have been explored previously in higher education literature in various contexts including empirical work involving quantitative and qualitative methods. Nevertheless, comparatively few research could be…

Applications · Statistics 2022-03-01 Prathamesh Muzumdar , Ganga Prasad Basyal , Piyush Vyas

Quantum machine learning (QML) shows promise for analyzing quantum data. A notable example is the use of quantum convolutional neural networks (QCNNs), implemented as specific types of quantum circuits, to recognize phases of matter. In…

Quantum Physics · Physics 2025-01-07 Chukwudubem Umeano , Annie E. Paine , Vincent E. Elfving , Oleksandr Kyriienko

We present a scalable machine learning (ML) framework for predicting intensive properties and particularly classifying phases of many-body systems. Scalability and transferability are central to the unprecedented computational efficiency of…

Statistical Mechanics · Physics 2024-06-18 Zhongzheng Tian , Sheng Zhang , Gia-Wei Chern

Machine learning (ML) formalizes the problem of getting computers to learn from experience as optimization of performance according to some metric(s) on a set of data examples. This is in contrast to requiring behaviour specified in advance…

Machine Learning · Computer Science 2022-10-19 Tegan Maharaj

Machine Learning (ML) has widely been used for modeling and predicting physical systems. These techniques offer high expressive power and good generalizability for interpolation within observed data sets. However, the disadvantage of…

Machine Learning · Statistics 2023-03-02 Omid Sedehi , Antonina M. Kosikova , Costas Papadimitriou , Lambros S. Katafygiotis

In this paper, we propose a machine learning (ML) method to learn how to solve a generic constrained continuous optimization problem. To the best of our knowledge, the generic methods that learn to optimize, focus on unconstrained…

Machine Learning · Computer Science 2021-01-05 Seyedrazieh Bayati , Faramarz Jabbarvaziri

Clinical decision support systems require models that are not only highly accurate but also equitable and sensitive to the implications of missed diagnoses. In this study, we introduce a knowledge-guided in-context learning (ICL) framework…

Machine Learning · Computer Science 2025-07-28 Fatemeh Nazary , Yashar Deldjoo , Tommaso Di Noia , Eugenio di Sciascio

Most modern supervised statistical/machine learning (ML) methods are explicitly designed to solve prediction problems very well. Achieving this goal does not imply that these methods automatically deliver good estimators of causal…

Machine learning (ML) can be used to construct surrogate models for the fast prediction of a property of interest. ML can thus be applied to chemical projects, where the usual experimentation or calculation techniques can take hours or days…

The focus of this study is to evaluate the effectiveness of Machine Learning (ML) methods for two-sample testing with right-censored observations. To achieve this, we develop several ML-based methods with varying architectures and implement…

Machine Learning · Computer Science 2024-09-27 Petr Philonenko , Sergey Postovalov

Machine learning (ML) methods such as artificial neural networks are rapidly becoming ubiquitous in modern science, technology and industry. Despite their accuracy and sophistication, neural networks can be easily fooled by carefully…

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