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The paper proposes and investigates an approach for surrogate-assisted performance prediction of data-driven knowledge discovery algorithms. The approach is based on the identification of surrogate models for prediction of the target…

Machine Learning · Computer Science 2022-01-25 Anastasia A. Funkner , Aleksey N. Yakovlev , Sergey V. Kovalchuk

Large Neighborhood Search (LNS) is a common heuristic in combinatorial optimization that iteratively searches over a large neighborhood of the current solution for a better one. Recently, neural network-based LNS solvers have achieved great…

Machine Learning · Computer Science 2025-08-25 Shengyu Feng , Zhiqing Sun , Yiming Yang

Incorporating Renewable Energy Sources (RES) incurs a high level of uncertainties to electric power systems. This level of uncertainties makes the conventional energy management methods inefficient and jeopardizes the security of…

Optimization and Control · Mathematics 2019-10-17 Mohammad Rasoul Narimani , Ali Azizivahed , Ehsan Naderi

The surrogate-based analysis and optimization of thermal damage in living biological tissue by laser irradiation are discussed in this paper. Latin Hypercube Sampling (LHS) and Response Surface Model (RSM) are applied to study…

Medical Physics · Physics 2019-06-25 Nazia Afrin , Yuwen Zhang

The exploration of molecular systems' potential energy surface is important for comprehending their complex behaviors, particularly through identifying various metastable states. However, the transition between these states is often…

Chemical Physics · Physics 2024-04-05 Janghoon Ock , Parisa Mollaei , Amir Barati Farimani

Differentiable simulation is a promising toolkit for fast gradient-based policy optimization and system identification. However, existing approaches to differentiable simulation have largely tackled scenarios where obtaining smooth…

Machine Learning · Statistics 2022-07-04 Rika Antonova , Jingyun Yang , Krishna Murthy Jatavallabhula , Jeannette Bohg

Recent advances in Neural Architecture Search (NAS) such as one-shot NAS offer the ability to extract specialized hardware-aware sub-network configurations from a task-specific super-network. While considerable effort has been employed…

Machine Learning · Computer Science 2022-05-24 Daniel Cummings , Anthony Sarah , Sharath Nittur Sridhar , Maciej Szankin , Juan Pablo Munoz , Sairam Sundaresan

Repeated Sampling (RS) is a simple inference-time algorithm that has been shown to improve model performance on complex tasks. Although it is an effective way of scaling inference time, it often struggles to generate diverse solution…

Artificial Intelligence · Computer Science 2026-02-17 Divij Handa , Mihir Parmar , Aswin RRV , Md Nayem Uddin , Hamid Palangi , Chitta Baral

Machine learning surrogate emulators are needed in engineering design and optimization tasks to rapidly emulate computationally expensive physics-based models. In micromechanics problems the local full-field response variables are desired…

Computational Engineering, Finance, and Science · Computer Science 2024-05-17 Patxi Fernandez-Zelaia , Jason Mayeur , Jiahao Cheng , Yousub Lee , Kevin Knipe , Kai Kadau

Training large language models (LLMs) increasingly relies on geographically distributed accelerators, causing prohibitive communication costs across regions and uneven utilization of heterogeneous hardware. We propose HALoS, a hierarchical…

Machine Learning · Computer Science 2025-06-06 Geon-Woo Kim , Junbo Li , Shashidhar Gandham , Omar Baldonado , Adithya Gangidi , Pavan Balaji , Zhangyang Wang , Aditya Akella

We introduce a novel approach for end-to-end black-box optimization of high energy physics (HEP) detectors using local deep learning (DL) surrogates. These surrogates approximate a scalar objective function that encapsulates the complex…

Machine Learning · Computer Science 2025-03-19 Kinga Anna Wozniak , Stephen Mulligan , Jan Kieseler , Markus Klute , Francois Fleuret , Tobias Golling

The architectural advancements in deep neural networks have led to remarkable leap-forwards across a broad array of computer vision tasks. Instead of relying on human expertise, neural architecture search (NAS) has emerged as a promising…

Computer Vision and Pattern Recognition · Computer Science 2022-08-16 Zhichao Lu , Ran Cheng , Shihua Huang , Haoming Zhang , Changxiao Qiu , Fan Yang

Evolution strategies (ES) are a family of black-box optimization algorithms able to train deep neural networks roughly as well as Q-learning and policy gradient methods on challenging deep reinforcement learning (RL) problems, but are much…

Artificial Intelligence · Computer Science 2018-10-31 Edoardo Conti , Vashisht Madhavan , Felipe Petroski Such , Joel Lehman , Kenneth O. Stanley , Jeff Clune

Lazy search algorithms can efficiently solve problems where edge evaluation is the bottleneck in computation, as is the case for robotic motion planning. The optimal algorithm in this class, LazySP, lazily restricts edge evaluation to only…

Robotics · Computer Science 2019-07-24 Aditya Mandalika , Sanjiban Choudhury , Oren Salzman , Siddhartha Srinivasa

Smart farming systems encounter significant challenges, including limited resources, the need for data privacy, and poor connectivity in rural areas. To address these issues, we present eEnergy-Split, an energy-efficient framework that…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-03 Keiwan Soltani , Vishesh Kumar Tanwar , Ashish Gupta , Sajal K. Das

Supervised Machine Learning (SML) algorithms, such as Gradient Boosting, Random Forest, and Neural Networks, have become popular in recent years due to their superior predictive performance over traditional statistical methods. However,…

Machine Learning · Statistics 2020-07-30 Linwei Hu , Jie Chen , Vijayan N. Nair , Agus Sudjianto

Many recently proposed methods for Neural Architecture Search (NAS) can be formulated as bilevel optimization. For efficient implementation, its solution requires approximations of second-order methods. In this paper, we demonstrate that…

Machine Learning · Computer Science 2020-03-30 Chaoyang He , Haishan Ye , Li Shen , Tong Zhang

Water distribution systems (WDSs) are an important part of critical infrastructure becoming increasingly significant in the face of climate change and urban population growth. We propose a robust and scalable surrogate deep learning (DL)…

Neural and Evolutionary Computing · Computer Science 2025-02-19 Inaam Ashraf , André Artelt , Barbara Hammer

Thermal energy storage (TES) systems coupled with heat pumps offer significant potential for improving building energy efficiency by shifting electricity demand to off-peak hours. However, conventional operating strategies maintain…

Systems and Control · Electrical Eng. & Systems 2026-01-19 Ju-Hong Oh , Seon-In Kim , Eui-Jong Kim

Deep reinforcement learning has achieved impressive success in control tasks. However, its policies, represented as opaque neural networks, are often difficult for humans to understand, verify, and debug, which undermines trust and hinders…

Machine Learning · Computer Science 2026-03-11 Qinglong Hu , Xialiang Tong , Mingxuan Yuan , Fei Liu , Zhichao Lu , Qingfu Zhang