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Machine learning algorithms frequently require careful tuning of model hyperparameters, regularization terms, and optimization parameters. Unfortunately, this tuning is often a "black art" that requires expert experience, unwritten rules of…

Machine Learning · Statistics 2012-08-30 Jasper Snoek , Hugo Larochelle , Ryan P. Adams

In this paper, we propose PATO-a producibility-aware topology optimization (TO) framework to help efficiently explore the design space of components fabricated using metal additive manufacturing (AM), while ensuring manufacturability with…

Computational Engineering, Finance, and Science · Computer Science 2021-12-10 Naresh S. Iyer , Amir M. Mirzendehdel , Sathyanarayanan Raghavan , Yang Jiao , Erva Ulu , Morad Behandish , Saigopal Nelaturi , Dean M. Robinson

Gel-elastomer composites, comprising an active swellable hydrogel and a passive elastomer, are a compelling class of programmable material systems (PMS) capable of shape morphing under multiphysics actuation. The precise design of the…

Computational Engineering, Finance, and Science · Computer Science 2026-05-20 Aaditya Chandrasekhar , Dex Doksoo Lee , Hyunwoo Kwon , Wei Chen

The generalized Gauss-Newton (GGN) optimization method incorporates curvature estimates into its solution steps, and provides a good approximation to the Newton method for large-scale optimization problems. GGN has been found particularly…

Machine Learning · Computer Science 2024-04-24 Adeyemi D. Adeoye , Philipp Christian Petersen , Alberto Bemporad

Topology optimization (TO) is a method of deriving an optimal design that satisfies a given load and boundary conditions within a design domain. This method enables effective design without initial design, but has been limited in use due to…

Machine Learning · Computer Science 2023-06-06 Seungyeon Shin , Dongju Shin , Namwoo Kang

In modern industrial and logistics environments, the rapid expansion of fast delivery services has heightened the demand for storage systems that combine high efficiency with increased density. Multi-deep autonomous vehicle storage and…

Machine Learning · Computer Science 2025-10-10 Funing Li , Yuan Tian , Ruben Noortwyck , Jifeng Zhou , Liming Kuang , Robert Schulz

Fluid-flow devices with low dissipation, but high contact area, are of importance in many applications. A well-known strategy to design such devices is multi-scale topology optimization (MTO), where optimal microstructures are designed…

Numerical Analysis · Mathematics 2022-09-20 Rahul Kumar Padhy , Aaditya Chandrasekhar , Krishnan Suresh

We design and analyze a new paradigm for building supervised learning networks, driven only by local optimization rules without relying on a global error function. Traditional neural networks with a fixed topology are made up of identical…

Adaptation and Self-Organizing Systems · Physics 2024-10-04 S. Barland , L. Gil

This paper presents an adaptive convolutional neural network (CNN) architecture that can automate diverse topology optimization (TO) problems having different underlying physics. The architecture uses the encoder-decoder networks with dense…

Computational Engineering, Finance, and Science · Computer Science 2025-09-10 Khaish Singh Chadha , Prabhat Kumar

Physics-inspired graph neural networks (PI-GNNs) have been utilized as an efficient unsupervised framework for relaxing combinatorial optimization problems encoded through a specific graph structure and loss, reflecting dependencies between…

Machine Learning · Computer Science 2025-10-24 Martin Krutský , Gustav Šír , Vyacheslav Kungurtsev , Georgios Korpas

Propagating input uncertainty through non-linear Gaussian process (GP) mappings is intractable. This hinders the task of training GPs using uncertain and partially observed inputs. In this paper we refer to this task as "semi-described…

Machine Learning · Statistics 2015-09-04 Andreas Damianou , Neil D. Lawrence

Deformable retinal image registration is notoriously difficult due to large homogeneous regions and sparse but critical vascular features, which cause limited gradient signals in standard learning-based frameworks. In this paper, we…

Computer Vision and Pattern Recognition · Computer Science 2025-08-26 Xin Tian , Jiazheng Wang , Yuxi Zhang , Xiang Chen , Renjiu Hu , Gaolei Li , Min Liu , Hang Zhang

Operator learning offers a powerful paradigm for solving parametric partial differential equations (PDEs), but scaling probabilistic neural operators such as the recently proposed Gaussian Processes Operators (GPOs) to high-dimensional,…

Machine Learning · Statistics 2025-06-23 Sawan Kumar , Tapas Tripura , Rajdip Nayek , Souvik Chakraborty

In this paper, a mechanistic data-driven approach is proposed to accelerate structural topology optimization, employing an in-house developed finite element convolutional neural network (FE-CNN). Our approach can be divided into two stages:…

Machine Learning · Computer Science 2021-06-28 Tianle Yue , Hang Yang , Zongliang Du , Chang Liu , Khalil I. Elkhodary , Shan Tang , Xu Guo

Both experimental and computational methods for the exploration of structure, functionality, and properties of materials often necessitate the search across broad parameter spaces to discover optimal experimental conditions and regions of…

Computational Physics · Physics 2021-08-31 Maxim Ziatdinov , Ayana Ghosh , Sergei V. Kalinin

The problem of embedding a set of objects into a low-dimensional Euclidean space based on a matrix of pairwise dissimilarities is fundamental in data analysis, machine learning, and statistics. However, the assumptions of many standard…

Computational Geometry · Computer Science 2025-08-21 Omid Arhami , Pejman Rohani

For Bayesian optimization (BO) on high-dimensional data with complex structure, neural network-based kernels for Gaussian processes (GPs) have been used to learn flexible surrogate functions by the high representation power of deep…

Machine Learning · Statistics 2021-11-02 Tomoharu Iwata

This paper proposes a new parametric level set method for topology optimization based on Deep Neural Network (DNN). In this method, the fully connected deep neural network is incorporated into the conventional level set methods to construct…

Optimization and Control · Mathematics 2021-01-12 Hao Deng , Albert C. To

Generative models such as denoising diffusion models are quickly advancing their ability to approximate highly complex data distributions. They are also increasingly leveraged in scientific machine learning, where samples from the implied…

Machine Learning · Computer Science 2025-03-14 Jan-Hendrik Bastek , WaiChing Sun , Dennis M. Kochmann

Deep Gaussian Processes (DGP) are hierarchical generalizations of Gaussian Processes (GP) that have proven to work effectively on a multiple supervised regression tasks. They combine the well calibrated uncertainty estimates of GPs with the…

Machine Learning · Statistics 2018-01-10 Marton Havasi , José Miguel Hernández-Lobato , Juan José Murillo-Fuentes
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