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Evaluation metrics in machine learning are often hardly taken as loss functions, as they could be non-differentiable and non-decomposable, e.g., average precision and F1 score. This paper aims to address this problem by revisiting the…

机器学习 · 计算机科学 2022-03-01 Tao Huang , Zekang Li , Hua Lu , Yong Shan , Shusheng Yang , Yang Feng , Fei Wang , Shan You , Chang Xu

Surrogate models - also called emulators - are widely used to facilitate Bayesian inference in settings where computational costs preclude the use of standard posterior inference algorithms. Their deployment is now standard practice across…

统计方法学 · 统计学 2026-03-17 Andrew Gerard Roberts , Michael C. Dietze , Jonathan H. Huggins

High fidelity design evaluation processes such as Computational Fluid Dynamics and Finite Element Analysis are often replaced with data driven surrogates to reduce computational cost in engineering design optimization. However, building…

机器学习 · 计算机科学 2025-12-01 Sarthak Kapoor , Harsh Vardhan , Umesh Timalsina , Sumit Kumar , Peter Volgyesi , Janos Sztipanovits

Neural PDE surrogates are often deployed in data-limited or partially observed regimes where downstream decisions depend on calibrated uncertainty in addition to low prediction error. Existing approaches obtain uncertainty through ensemble…

机器学习 · 计算机科学 2026-02-12 Carlos Stein Brito

This paper presents a novel methodology that uses surrogate models in the form of neural networks to reduce the computation time of simulation-based optimization of a reference trajectory. Simulation-based optimization is necessary when…

最优化与控制 · 数学 2023-03-31 Evelyn Ruff , Rebecca Russell , Matthew Stoeckle , Piero Miotto , Jonathan P. How

This chapter deals with kernel methods as a special class of techniques for surrogate modeling. Kernel methods have proven to be efficient in machine learning, pattern recognition and signal analysis due to their flexibility, excellent…

数值分析 · 数学 2022-10-31 Gabriele Santin , Bernard Haasdonk

Large-scale numerical simulations are used across many scientific disciplines to facilitate experimental development and provide insights into underlying physical processes, but they come with a significant computational cost. Deep neural…

We present a new scientific machine learning method that learns from data a computationally inexpensive surrogate model for predicting the evolution of a system governed by a time-dependent nonlinear partial differential equation (PDE), an…

数值分析 · 数学 2022-02-28 Elizabeth Qian , Ionut-Gabriel Farcas , Karen Willcox

Surrogate model-based optimization has been increasingly used in the field of engineering design. It involves creating a surrogate model with objective functions or constraints based on the data obtained from simulations or real-world…

最优化与控制 · 数学 2023-08-28 Minyoung Jwa , Jihoon Kim , Seungyeon Shin , Ah-hyeon Jin , Dongju Shin , Namwoo Kang

Developing efficient numerical algorithms for the solution of high dimensional random Partial Differential Equations (PDEs) has been a challenging task due to the well-known curse of dimensionality. We present a new solution framework for…

机器学习 · 计算机科学 2019-10-17 Mohammad Amin Nabian , Hadi Meidani

Learning data representations under uncertainty is an important task that emerges in numerous scientific computing and data analysis applications. However, uncertainty quantification techniques are computationally intensive and become…

Numerical approximations of partial differential equations (PDEs) are routinely employed to formulate the solution of physics, engineering, and mathematical problems involving functions of several variables, such as the propagation of heat…

The paper addresses Bayesian inferences in inverse problems with uncertainty quantification involving a computationally expensive forward map associated with solving a partial differential equations. To mitigate the computational cost, the…

统计方法学 · 统计学 2023-12-18 A. Galaviz , J. A. Christen , A. Capella

Meta-materials are an important emerging class of engineered materials in which complex macroscopic behaviour--whether electromagnetic, thermal, or mechanical--arises from modular substructure. Simulation and optimization of these materials…

机器学习 · 计算机科学 2020-05-18 Alex Beatson , Jordan T. Ash , Geoffrey Roeder , Tianju Xue , Ryan P. Adams

Explainable AI is a crucial component for edge services, as it ensures reliable decision making based on complex AI models. Surrogate models are a prominent approach of XAI where human-interpretable models, such as a linear regression…

机器学习 · 计算机科学 2025-03-12 Foivos Charalampakos , Thomas Tsouparopoulos , Iordanis Koutsopoulos

Recent years have witnessed the promise of coupling machine learning methods and physical domain-specific insights for solving scientific problems based on partial differential equations (PDEs). However, being data-intensive, these methods…

机器学习 · 计算机科学 2025-06-03 Wuyang Chen , Jialin Song , Pu Ren , Shashank Subramanian , Dmitriy Morozov , Michael W. Mahoney

Real-world optimisation problems typically have objective functions which cannot be expressed analytically. These optimisation problems are evaluated through expensive physical experiments or simulations. Cheap approximations of the…

神经与进化计算 · 计算机科学 2022-11-01 Mohamed Z. Variawa , Terence L. Van Zyl , Matthew Woolway

As an emerging network model, spiking neural networks (SNNs) have aroused significant research attentions in recent years. However, the energy-efficient binary spikes do not augur well with gradient descent-based training approaches.…

机器学习 · 计算机科学 2023-04-27 Siqi Wang , Tee Hiang Cheng , Meng-Hiot Lim

Recently, researchers have utilized neural networks to accurately solve partial differential equations (PDEs), enabling the mesh-free method for scientific computation. Unfortunately, the network performance drops when encountering a high…

机器学习 · 计算机科学 2021-09-29 Pongpisit Thanasutives , Masayuki Numao , Ken-ichi Fukui

This work focuses on developing methods for approximating the solution operators of a class of parametric partial differential equations via neural operators. Neural operators have several challenges, including the issue of generating…

数值分析 · 数学 2023-11-17 Prashant K. Jha