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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 (GP) have become popular machine-learning methods for kernel-based learning on datasets with complicated covariance structures. In this paper, we present a novel extension to the GP framework using a contaminated normal…

Machine Learning · Computer Science 2024-07-03 Daniel Iong , Matthew McAnear , Yuezhou Qu , Shasha Zou , Gabor Toth , Yang Chen

Neural Processes (NPs) are a rapidly evolving class of models designed to directly model the posterior predictive distribution of stochastic processes. Originally developed as a scalable alternative to Gaussian Processes (GPs), which are…

Machine Learning · Computer Science 2026-04-20 Daniel Jenson , Jhonathan Navott , Mengyan Zhang , Makkunda Sharma , Elizaveta Semenova , Seth Flaxman

Compressed Stochastic Gradient Descent (SGD) algorithms have been recently proposed to address the communication bottleneck in distributed and decentralized optimization problems, such as those that arise in federated machine learning.…

Machine Learning · Statistics 2022-07-21 Adarsh M. Subramaniam , Akshayaa Magesh , Venugopal V. Veeravalli

Stochastic dual dynamic programming (SDDP) is a state-of-the-art method for solving multi-stage stochastic optimization, widely used for modeling real-world process optimization tasks. Unfortunately, SDDP has a worst-case complexity that…

Machine Learning · Computer Science 2021-12-03 Hanjun Dai , Yuan Xue , Zia Syed , Dale Schuurmans , Bo Dai

Generative adversarial network (GAN) has been shown to be useful in various applications, such as image recognition, text processing and scientific computing, due its strong ability to learn complex data distributions. In this study, a…

Geophysics · Physics 2021-09-14 Tianhao He , Dongxiao Zhang

State-of-the-art training algorithms for deep learning models are based on stochastic gradient descent (SGD). Recently, many variations have been explored: perturbing parameters for better accuracy (such as in Extragradient), limiting SGD…

Machine Learning · Computer Science 2022-03-23 Amirkeivan Mohtashami , Martin Jaggi , Sebastian U. Stich

Synthetic Time Series Generation (TSG) is crucial in a range of applications, including data augmentation, anomaly detection, and privacy preservation. Although significant strides have been made in this field, existing methods exhibit…

Machine Learning · Computer Science 2023-12-08 Yihao Ang , Qiang Huang , Yifan Bao , Anthony K. H. Tung , Zhiyong Huang

As one of the fundamental tasks in computer vision, semantic segmentation plays an important role in real world applications. Although numerous deep learning models have made notable progress on several mainstream datasets with the rapid…

Computer Vision and Pattern Recognition · Computer Science 2020-10-06 Bin Zhang , Shengjie Zhao , Rongqing Zhang

Symbolic equations are at the core of scientific discovery. The task of discovering the underlying equation from a set of input-output pairs is called symbolic regression. Traditionally, symbolic regression methods use hand-designed…

Machine Learning · Computer Science 2021-06-14 Luca Biggio , Tommaso Bendinelli , Alexander Neitz , Aurelien Lucchi , Giambattista Parascandolo

Symbolic regression is an important but challenging research topic in data mining. It can detect the underlying mathematical models. Genetic programming (GP) is one of the most popular methods for symbolic regression. However, its…

Data Structures and Algorithms · Computer Science 2017-05-16 Chen Chen , Changtong Luo , Zonglin Jiang

Mathematical expressions play a central role in scientific discovery. Symbolic regression aims to automatically discover such expressions from given numerical data. Recently, Neural symbolic regression (NSR) methods that involve…

Machine Learning · Computer Science 2026-02-03 Shun Sato , Issei Sato

Automatic programming, the task of generating computer programs compliant with a specification without a human developer, is usually tackled either via genetic programming methods based on mutation and recombination of programs, or via…

Artificial Intelligence · Computer Science 2021-02-09 Vadim Liventsev , Aki Härmä , Milan Petković

We introduce a new scalable approximation for Gaussian processes with provable guarantees which hold simultaneously over its entire parameter space. Our approximation is obtained from an improved sample complexity analysis for sparse…

Machine Learning · Computer Science 2020-11-18 Quang Minh Hoang , Trong Nghia Hoang , Hai Pham , David P. Woodruff

Semantic segmentation, like other fields of computer vision, has seen a remarkable performance advance by the use of deep convolution neural networks. However, considering that neighboring pixels are heavily dependent on each other, both…

Computer Vision and Pattern Recognition · Computer Science 2017-08-08 Hyojin Park , Jisoo Jeong , Youngjoon Yoo , Nojun Kwak

Genetic Programming (GP) has found various applications. Understanding this type of algorithm from a theoretical point of view is a challenging task. The first results on the computational complexity of GP have been obtained for problems…

Neural and Evolutionary Computing · Computer Science 2011-05-09 Markus Wagner , Frank Neumann

Stochastic gradient descent (SGD) is a widely adopted iterative method for optimizing differentiable objective functions. In this paper, we propose and discuss a novel approach to scale up SGD in applications involving non-convex functions…

Machine Learning · Statistics 2022-10-07 Saad Mohamad , Hamad Alamri , Abdelhamid Bouchachia

Interpretable regression models are important for many application domains, as they allow experts to understand relations between variables from sparse data. Symbolic regression addresses this issue by searching the space of all possible…

Artificial Intelligence · Computer Science 2022-06-14 Marcus Märtens , Dario Izzo

The objective of this work is to explore how to effectively and efficiently adapt pre-trained visual foundation models to various downstream tasks of semantic segmentation. Previous methods usually fine-tuned the entire networks for each…

Computer Vision and Pattern Recognition · Computer Science 2022-11-22 Lingbo Liu , Jianlong Chang , Bruce X. B. Yu , Liang Lin , Qi Tian , Chang-Wen Chen

Gene expression data sets are used to classify and predict patient diagnostic categories. As we know, it is extremely difficult and expensive to obtain gene expression labelled examples. Moreover, conventional supervised approaches cannot…

Machine Learning · Computer Science 2013-07-05 Hala Helmi , Jon M. Garibaldi , Uwe Aickelin
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