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Stochastic gradient descent (SGD) and its variants have established themselves as the go-to algorithms for large-scale machine learning problems with independent samples due to their generalization performance and intrinsic computational…

Machine Learning · Statistics 2025-08-25 Hao Chen , Lili Zheng , Raed Al Kontar , Garvesh Raskutti

Gaussian Process (GP) regression is a powerful nonparametric Bayesian framework, but its performance depends critically on the choice of covariance kernel. Selecting an appropriate kernel is therefore central to model quality, yet remains…

Machine Learning · Computer Science 2026-01-14 Md Shafiqul Islam , Shakti Prasad Padhy , Douglas Allaire , Raymundo Arróyave

Analyzing electrocardiography (ECG) data is essential for diagnosing and monitoring various heart diseases. The clinical adoption of automated methods requires accurate confidence measurements, which are largely absent from existing…

Several efforts to predict student failure rate (SFR) at school accurately still remains a core problem area faced by many in the educational sector. The procedure for forecasting SFR are rigid and most often times require data scaling or…

Computers and Society · Computer Science 2017-07-06 J. O. Orove , N. E. Osegi , B. O. Eke

The success of the Materials Genome Initiative has led to opportunities for data-driven approaches for materials discovery. The recent development of Polymer Genome (PG), which is a machine learning (ML) based data-driven informatics…

Computational Physics · Physics 2019-08-08 Manav Ramprasad , Chiho Kim

Probability metrics have become an indispensable part of modern statistics and machine learning, and they play a quintessential role in various applications, including statistical hypothesis testing and generative modeling. However, in a…

Machine Learning · Statistics 2020-03-02 Soheil Kolouri , Kimia Nadjahi , Umut Simsekli , Shahin Shahrampour

Gaussian process (GP) regression provides a strategy for accelerating saddle point searches on high-dimensional energy surfaces by reducing the number of times the energy and its derivatives with respect to atomic coordinates need to be…

Chemical Physics · Physics 2025-12-03 Rohit Goswami , Hannes Jónsson

Gaussian processes (GPs) are non-linear probabilistic models popular in many applications. However, na\"ive GP realizations require quadratic memory to store the covariance matrix and cubic computation to perform inference or evaluate the…

Computation · Statistics 2021-05-03 Amanda Muyskens , Benjamin Priest , Imène Goumiri , Michael Schneider

Genome engineering is undergoing unprecedented development and is now becoming widely available. To ensure responsible biotechnology innovation and to reduce misuse of engineered DNA sequences, it is vital to develop tools to identify the…

Machine Learning · Computer Science 2021-11-25 Igor M. Soares , Fernando H. F. Camargo , Adriano Marques , Oliver M. Crook

This paper introduces Multi-population Ensemble Genetic Programming (MEGP), a computational intelligence framework that integrates cooperative coevolution and the multiview learning paradigm to address classification challenges in…

Neural and Evolutionary Computing · Computer Science 2025-09-25 Mohammad Sadegh Khorshidi , Navid Yazdanjue , Hassan Gharoun , Mohammad Reza Nikoo , Fang Chen , Amir H. Gandomi

In construction projects, estimation of the settlement of fine-grained soils is of critical importance, and yet is a challenging task. The coefficient of consolidation for the compression index (Cc) is a key parameter in modeling the…

Graph similarity computation (GSC) is to calculate the similarity between one pair of graphs, which is a fundamental problem with fruitful applications in the graph community. In GSC, graph edit distance (GED) and maximum common subgraph…

Machine Learning · Computer Science 2024-12-16 Haoran Zheng , Jieming Shi , Renchi Yang

Transformer Semantic Genetic Programming (TSGP) is a semantic search approach that uses a pre-trained transformer model as a variation operator to generate offspring programs with high semantic similarity to a given parent. Unlike other…

Machine Learning · Computer Science 2026-05-01 Philipp Anthes , Dominik Sobania , Franz Rothlauf

Determining what to eat to satisfy nutritional requirements is one of the oldest optimization problems in operations research, yet existing formulations have two persistent limitations: continuous variables produce impractical fractional…

Artificial Intelligence · Computer Science 2026-05-15 Francisco Aguilera Moreno

Multigrid methods despite being known to be asymptotically optimal algorithms, depend on the careful selection of their individual components for efficiency. Also, they are mostly restricted to standard cycle types like V-, F-, and…

Computational Engineering, Finance, and Science · Computer Science 2024-12-10 Dinesh Parthasarathy , Wayne Bradford Mitchell , Harald Köstler

Although multigrid is asymptotically optimal for solving many important partial differential equations, its efficiency relies heavily on the careful selection of the individual algorithmic components. In contrast to recent approaches that…

Computational Engineering, Finance, and Science · Computer Science 2026-03-19 Dinesh Parthasarathy , Wayne Mitchell , Arjun Gambhir , Harald Köstler , Ulrich Rüde

Despite the recent growth of theoretical studies and empirical successes of neural networks, gradient backpropagation is still the most widely used algorithm for training such networks. On the one hand, we have deterministic or full…

Machine Learning · Computer Science 2023-10-20 Pascal Junior Tikeng Notsawo

The Uncertain Agile Earth Observation Satellite Scheduling Problem (UAEOSSP) is a novel combinatorial optimization problem and a practical engineering challenge that aligns with the current demands of space technology development. It…

Artificial Intelligence · Computer Science 2026-03-19 Junhua Xue , Yuning Chen , Mingyan Shao , Yangming Zhou , Qinghua Wu , Yingwu Chen

Convolved Gaussian Process (CGP) is able to capture the correlations not only between inputs and outputs but also among the outputs. This allows a superior performance of using CGP than standard Gaussian Process (GP) in the modelling of…

Neural and Evolutionary Computing · Computer Science 2017-09-14 Gang Cao , Edmund M-K Lai , Fakhrul Alam

A bottleneck for multi-timescale dynamics is the computation of the potential energy surface (PES). We explore the use of genetic programming (GP) to symbolically regress a mapping of the saddle-point barriers from only a few calculated…

Materials Science · Physics 2009-11-10 Kumara Sastry , D. D. Johnson , David E. Goldberg , Pascal Bellon