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In the present work, a generative deep learning framework combining a Co-optimized Variational Autoencoder (Co-VAE) architecture with quantitative structure-property relationship (QSPR) techniques is developed to enable accelerated inverse…

Machine Learning · Computer Science 2025-10-15 Kiran K. Yalamanchi , Pinaki Pal , Balaji Mohan , Abdullah S. AlRamadan , Jihad A. Badra , Yuanjiang Pei

In this study, we focus on learning Hamiltonian systems, which involves predicting the coordinate (q) and momentum (p) variables generated by a symplectic mapping. Based on Chen & Tao (2021), the symplectic mapping is represented by a…

Earth and Planetary Astrophysics · Physics 2023-07-05 Xin Li , Jian Li , Zhihong Jeff Xia , Nikolaos Georgakarakos

Among various region embedding methods, graph-based region relation learning models stand out, owing to their strong structure representation ability for encoding spatial correlations with graph neural networks. Despite their effectiveness,…

Machine Learning · Computer Science 2023-05-09 Qianru Zhang , Chao Huang , Lianghao Xia , Zheng Wang , Zhonghang Li , Siuming Yiu

Training a neural network (NN) typically relies on some type of curve-following method, such as gradient descent (GD) (and stochastic gradient descent (SGD)), ADADELTA, ADAM or limited memory algorithms. Convergence for these algorithms…

Machine Learning · Computer Science 2023-05-08 Michael A Kouritzin , Stephen Styles , Beatrice-Helen Vritsiou

This paper provides an in-depth empirical analysis of several evolutionary algorithms on the one-dimensional spin glass model with power-law interactions. The considered spin glass model provides a mechanism for tuning the effective range…

Disordered Systems and Neural Networks · Physics 2009-07-29 Martin Pelikan , Helmut G. Katzgraber

Time series prediction with deep learning methods, especially long short-term memory neural networks (LSTMs), have scored significant achievements in recent years. Despite the fact that the LSTMs can help to capture long-term dependencies,…

Machine Learning · Computer Science 2018-11-12 Youru Li , Zhenfeng Zhu , Deqiang Kong , Hua Han , Yao Zhao

The widely-adopted practice is to train deep learning models with specialized hardware accelerators, e.g., GPUs or TPUs, due to their superior performance on linear algebra operations. However, this strategy does not employ effectively the…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-04-21 Yujing Ma , Florin Rusu

An evolutionary algorithm (EA) is developed as an alternative to the EM algorithm for parameter estimation in model-based clustering. This EA facilitates a different search of the fitness landscape, i.e., the likelihood surface, utilizing…

Computation · Statistics 2020-06-09 Sharon M. McNicholas , Paul D. McNicholas , Daniel A. Ashlock

The main problems in modeling interacting galaxies are the extended parameter space and the fairly high CPU costs of self-consistent N-body simulations. Therefore, traditional modeling techniques suffer from either extreme CPU demands or…

Astrophysics · Physics 2007-05-23 Ch. Theis , Ch. Gerds , Ch. Spinneker

Evolving one-dimensional cellular automata (CAs) with genetic algorithms has provided insight into how improved performance on a task requiring global coordination emerges when only local interactions are possible. Two approaches that can…

adap-org · Physics 2007-05-23 Justin Werfel , Melanie Mitchell , James P. Crutchfield

Self-supervised learning (SSL) as an effective paradigm of representation learning has achieved tremendous success on various curated datasets in diverse scenarios. Nevertheless, when facing the long-tailed distribution in real-world…

Machine Learning · Computer Science 2023-10-27 Zhihan Zhou , Jiangchao Yao , Feng Hong , Ya Zhang , Bo Han , Yanfeng Wang

This paper presents a novel holistic deep learning framework that simultaneously addresses the challenges of vulnerability to input perturbations, overparametrization, and performance instability from different train-validation splits. The…

We explore generalizations of some integrated learning and optimization frameworks for data-driven contextual stochastic optimization that can adapt to heteroscedasticity. We identify conditions on the stochastic program, data generation…

Optimization and Control · Mathematics 2021-01-11 Rohit Kannan , Güzin Bayraksan , James Luedtke

Flight diversions are rare but high-impact events in aviation, making their reliable prediction vital for both safety and operational efficiency. However, their scarcity in historical records impedes the training of machine learning models…

Machine Learning · Computer Science 2026-04-23 Karim Aly , Alexei Sharpanskykh , Jacco Hoekstra

Adaptable models could greatly benefit robotic agents operating in the real world, allowing them to deal with novel and varying conditions. While approaches such as Bayesian inference are well-studied frameworks for adapting models to…

Machine Learning · Computer Science 2023-10-20 Orr Krupnik , Elisei Shafer , Tom Jurgenson , Aviv Tamar

We present a novel attribute learning framework named Hypergraph-based Attribute Predictor (HAP). In HAP, a hypergraph is leveraged to depict the attribute relations in the data. Then the attribute prediction problem is casted as a…

Computer Vision and Pattern Recognition · Computer Science 2015-03-20 Sheng Huang , Mohamed Elhoseiny , Ahmed Elgammal , Dan Yang

Predicting and comparing algorithm performance on graph instances is challenging for multiple reasons. First, there is usually no standard set of instances to benchmark performance. Second, using existing graph generators results in a…

Artificial Intelligence · Computer Science 2022-11-22 Thibault Lechien , Jorik Jooken , Patrick De Causmaecker

Combinatorial optimization problems are traditionally tackled with handcrafted heuristic algorithms, which demand extensive domain expertise and significant implementation effort. Recent progress has highlighted the potential of automatic…

Artificial Intelligence · Computer Science 2025-10-01 Yihong Liu , Junyi Li , Wayne Xin Zhao , Hongyu Lu , Ji-Rong Wen

Gallstone disease is a complex, multifactorial condition with significant global health burdens. Identifying underlying risk factors and their interactions is crucial for early diagnosis, targeted prevention, and effective clinical…

Applications · Statistics 2025-06-18 Chitradipa Chakraborty , Nayana Mukherjee

Deep learning is a powerful tool whose applications in quantitative finance are growing every day. Yet, artificial neural networks behave as black boxes and this hinders validation and accountability processes. Being able to interpret the…

Pricing of Securities · Quantitative Finance 2021-04-20 Damiano Brigo , Xiaoshan Huang , Andrea Pallavicini , Haitz Saez de Ocariz Borde