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Numerical simulations in climate, chemistry, or astrophysics are computationally too expensive for uncertainty quantification or parameter-exploration at high-resolution. Reduced-order or surrogate models are multiple orders of magnitude…

Machine Learning · Computer Science 2022-07-26 Björn Lütjens , Catherine H. Crawford , Campbell D Watson , Christopher Hill , Dava Newman

High-fidelity numerical simulations of chaotic, high dimensional nonlinear dynamical systems are computationally expensive, necessitating the development of efficient surrogate models. Most surrogate models for such systems are…

Machine Learning · Computer Science 2026-03-16 Dibyajyoti Chakraborty , Hojin Kim , Romit Maulik

Mission planning for a fleet of cooperative autonomous drones in applications that involve serving distributed target points, such as disaster response, environmental monitoring, and surveillance, is challenging, especially under partial…

Multiagent Systems · Computer Science 2025-04-14 Michael Elrod , Niloufar Mehrabi , Rahul Amin , Manveen Kaur , Long Cheng , Jim Martin , Abolfazl Razi

The interpretability of machine learning, particularly for deep neural networks, is crucial for decision making in real-world applications. One approach is replacing the un-interpretable machine learning model with a surrogate model, which…

Machine Learning · Statistics 2020-07-22 Keiichi Kisamori , Keisuke Yamazaki , Yuto Komori , Hiroshi Tokieda

Evolutionary algorithms provide gradient-free optimisation which is beneficial for models that have difficulty in obtaining gradients; for instance, geoscientific landscape evolution models. However, such models are at times computationally…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-06-28 Rohitash Chandra , Yash Vardhan Sharma

Numerical simulations on fluid dynamics problems primarily rely on spatially or/and temporally discretization of the governing equation into the finite-dimensional algebraic system solved by computers. Due to complicated nature of the…

Computational Physics · Physics 2021-07-23 Luning Sun , Han Gao , Shaowu Pan , Jian-Xun Wang

High-fidelity numerical simulation of subsurface flow is computationally intensive, especially for many-query tasks such as uncertainty quantification and data assimilation. Deep learning (DL) surrogates can significantly accelerate forward…

Machine Learning · Computer Science 2026-04-15 Jiale Liu , Nanzhe Wang

Driven by increased complexity of dynamical systems, the solution of system of differential equations through numerical simulation in optimization problems has become computationally expensive. This paper provides a smart data driven…

Optimization and Control · Mathematics 2021-08-25 Kainat Khowaja , Mykhaylo Shcherbatyy , Wolfgang Karl Härdle

Accurate simulation of granular flow dynamics is crucial for assessing various geotechnical risks, including landslides and debris flows. Granular flows involve a dynamic rearrangement of particles exhibiting complex transitions from…

Geophysics · Physics 2023-12-13 Yongjin Choi , Krishna Kumar

This technical report describes GrADyS-SIM, a framework for simulating cooperating swarms of UAVs in joint mission in hypothetical landscape and communicating through RF radios. The framework was created to aid and verify the communication,…

Networking and Internet Architecture · Computer Science 2022-02-17 Thiago Lamenza , Marcelo Paulon , Breno Perricone , Bruno Olivieri , Markus Endler

Surrogate models are widely used to approximate complex systems across science and engineering to reduce computational costs. Despite their widespread adoption, the field lacks standardisation across key stages of the modelling pipeline,…

Deep neural networks (DNNs) form the cornerstone of modern AI services, supporting a wide range of applications, including autonomous driving, chatbots, and recommendation systems. As models increase in size and complexity, DNN workloads…

Machine Learning · Computer Science 2025-11-14 Xiaokai Wang , Shaoyuan Huang , Yuting Li , Xiaofei Wang

Graph neural networks (GNNs) are one of the rapidly growing fields within deep learning. While many distributed GNN training frameworks have been proposed to increase the training throughput, they face three limitations when applied to…

Machine Learning · Computer Science 2024-08-14 Jaeyong Song , Hongsun Jang , Jaewon Jung , Youngsok Kim , Jinho Lee

We introduce CODES, a benchmark for comprehensive evaluation of surrogate architectures for coupled ODE systems. Besides standard metrics like mean squared error (MSE) and inference time, CODES provides insights into surrogate behaviour…

Machine Learning · Computer Science 2024-11-21 Robin Janssen , Immanuel Sulzer , Tobias Buck

Neural surrogate models are powerful and efficient tools in data mining. Meanwhile, large language models (LLMs) have demonstrated remarkable capabilities in code-related tasks, such as generation and understanding. However, an equally…

Machine Learning · Computer Science 2026-05-26 Bohan Lyu , Siqiao Huang , Zichen Liang

Generalized planning using deep reinforcement learning (RL) combined with graph neural networks (GNNs) has shown promising results in various symbolic planning domains described by PDDL. However, existing approaches typically represent…

Artificial Intelligence · Computer Science 2025-11-11 Sangwoo Jeon , Juchul Shin , Gyeong-Tae Kim , YeonJe Cho , Seongwoo Kim

Over the past decade, scientific machine learning has transformed the development of mathematical and computational frameworks for analyzing, modeling, and predicting complex systems. From inverse problems to numerical PDEs, dynamical…

Machine Learning · Computer Science 2025-09-26 Matthias Chung , Deepanshu Verma , Max Collins , Amit N. Subrahmanya , Varuni Katti Sastry , Vishwas Rao

Limiting the injection rate to restrict the pressure below a threshold at a critical location can be an important goal of simulations that model the subsurface pressure between injection and extraction wells. The pressure is approximated by…

In Bayesian inverse problems, surrogate models are often constructed to speed up the computational procedure, as the parameter-to-data map can be very expensive to evaluate. However, due to the curse of dimensionality and the nonlinear…

Numerical Analysis · Mathematics 2020-03-03 Liang Yan , Tao Zhou

Designing an inexpensive approximate surrogate model that captures the salient features of an expensive high-fidelity behavior is a prevalent approach in design optimization. In recent times, Deep Learning (DL) models are being used as a…

Machine Learning · Computer Science 2022-07-12 Harsh Vardhan , Janos Sztipanovits