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Aligning electron density maps from Cryogenic electron microscopy (cryo-EM) is a first key step for studying multiple conformations of a biomolecule. As this step remains costly and challenging, with standard alignment tools being…

Biomolecules · Quantitative Biology 2022-10-19 A. Tajmir Riahi , G. Woollard , F. Poitevin , A. Condon , K. Dao Duc

This paper presents a novel, mathematically rigorous framework for autoencoder-type deep neural networks that combines optimal control theory and low-rank tensor methods to yield memory-efficient training and automated architecture…

Optimization and Control · Mathematics 2025-09-11 Ratna Khatri , Anthony Kolshorn , Colin Olson , Harbir Antil

In this work we present an adaptive Newton-type method to solve nonlinear constrained optimization problems in which the constraint is a system of partial differential equations discretized by the finite element method. The adaptive…

Optimization and Control · Mathematics 2017-06-05 Thomas Carraro , Simon Dörsam , Stefan Frei , Daniel Schwarz

We propose Alternating Phase-Field Fourier Neural Networks (APF-FNNs) as a unified and physics-based framework for topology optimization. The approach decouples the design problem by representing the state, adjoint, and topology fields with…

Optimization and Control · Mathematics 2026-01-27 Jing Li , Xindi Hu , Helin Gong , Wei Gong , Shengfeng Zhu

We propose integrating optimal transport (OT) into operator learning for partial differential equations (PDEs) on complex geometries. Classical geometric learning methods typically represent domains as meshes, graphs, or point clouds. Our…

Machine Learning · Computer Science 2025-07-29 Xinyi Li , Zongyi Li , Nikola Kovachki , Anima Anandkumar

Due to the curse of dimensionality, solving high dimensional parabolic partial differential equations (PDEs) has been a challenging problem for decades. Recently, a weak adversarial network (WAN) proposed in (Y.Zang et al., 2020) offered a…

Numerical Analysis · Mathematics 2022-05-18 Paul Valsecchi Oliva , Yue Wu , Cuiyu He , Hao Ni

This paper presents a deep learning-based de-homogenization method for structural compliance minimization. By using a convolutional neural network to parameterize the mapping from a set of lamination parameters on a coarse mesh to a…

Machine Learning · Computer Science 2021-11-03 Martin O. Elingaard , Niels Aage , J. Andreas Bærentzen , Ole Sigmund

We consider the problem of minimizing a non-convex function over a smooth manifold $\mathcal{M}$. We propose a novel algorithm, the Orthogonal Directions Constrained Gradient Method (ODCGM) which only requires computing a projection onto a…

Optimization and Control · Mathematics 2023-03-17 Sholom Schechtman , Daniil Tiapkin , Michael Muehlebach , Eric Moulines

Differential equations (DE) constrained optimization plays a critical role in numerous scientific and engineering fields, including energy systems, aerospace engineering, ecology, and finance, where optimal configurations or control…

Machine Learning · Computer Science 2024-10-03 Vincenzo Di Vito , Mostafa Mohammadian , Kyri Baker , Ferdinando Fioretto

Modern digital engineering design process commonly involves expensive repeated simulations on varying three-dimensional (3D) geometries. The efficient prediction capability of neural networks (NNs) makes them a suitable surrogate to provide…

Computational Engineering, Finance, and Science · Computer Science 2024-06-17 Junyan He , Seid Koric , Diab Abueidda , Ali Najafi , Iwona Jasiuk

In this article we propose a scalable shape optimization algorithm which is tailored for large scale problems and geometries represented by hierarchically refined meshes. Weak scalability and grid independent convergence is achieved via a…

Optimization and Control · Mathematics 2022-05-09 Jose Pinzon , Martin Siebenborn

In this work, we propose a disentangled latent optimization-based method for parameterizing grouped deforming 3D objects into shape and deformation factors in an unsupervised manner. Our approach involves the joint optimization of a…

Computer Vision and Pattern Recognition · Computer Science 2025-11-11 Mostofa Rafid Uddin , Jana Armouti , Umong Sain , Md Asib Rahman , Xingjian Li , Min Xu

Benson's outer approximation algorithm and its variants are the most frequently used methods for solving linear multiobjective optimization problems. These algorithms have two intertwined components: one-dimensional linear optimization one…

Optimization and Control · Mathematics 2019-03-21 Laszlo Csirmaz

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

Industrial design evaluation often relies on high-fidelity simulations of governing partial differential equations (PDEs). While accurate, these simulations are computationally expensive, making dense exploration of design spaces…

Machine Learning · Computer Science 2025-10-01 Zhizhou Zhang , Youjia Wu , Kaixuan Zhang , Yanjia Wang

This paper addresses a class of (non-)convex optimization problems subject to general convex constraints, which pose significant challenges for traditional methods due to their inherent non-convexity and diversity. Conventional convex…

Systems and Control · Electrical Eng. & Systems 2025-02-04 Xiucheng Wang , Xuan Zhao , Nan Cheng

Deep Operator Networks (DeepOnets) have revolutionized the domain of scientific machine learning for the solution of the inverse problem for dynamical systems. However, their implementation necessitates optimizing a high-dimensional space…

Machine Learning · Computer Science 2024-11-05 Gianluca Fabiani , Ioannis G. Kevrekidis , Constantinos Siettos , Athanasios N. Yannacopoulos

In this paper, we propose an accelerated quasi-Newton proximal extragradient (A-QPNE) method for solving unconstrained smooth convex optimization problems. With access only to the gradients of the objective, we prove that our method can…

Optimization and Control · Mathematics 2023-06-06 Ruichen Jiang , Aryan Mokhtari

Optimal control problems with nonsmooth objectives and nonlinear partial differential equation (PDE) constraints are challenging, mainly because of the underlying nonsmooth and nonconvex structures and the demanding computational cost for…

Optimization and Control · Mathematics 2025-04-25 Yongcun Song , Xiaoming Yuan , Hangrui Yue , Tianyou Zeng

High dimensional and/or nonconvex optimization remains a challenging and important problem across a wide range of fields, such as machine learning, data assimilation, and partial differential equation (PDE) constrained optimization. Here we…

Optimization and Control · Mathematics 2025-08-29 Brian K. Tran , Ben S. Southworth , David B. Cavender , Sam Olivier , Syed A. Shah , Tommaso Buvoli