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Primal-Dual Interior-Point methods are capable of solving constrained convex optimization problems to tight tolerances in a fast and robust manner. The derivatives of the primal-dual solution with respect to the problem matrices can be…

Optimization and Control · Mathematics 2024-06-21 Kevin Tracy , Zachary Manchester

We introduce Atomistic learned potentials in JAX (apax), a flexible and efficient open source software package for training and inference of machine-learned interatomic potentials. Built on the JAX framework, apax supports GPU acceleration…

Chemical Physics · Physics 2025-11-19 Moritz René Schäfer , Nico Segreto , Fabian Zills , Christian Holm , Johannes Kästner

An increasingly common viewpoint is that protein dynamics data sets reside in a non-linear subspace of low conformational energy. Ideal data analysis tools for such data sets should therefore account for such non-linear geometry. The…

Biomolecules · Quantitative Biology 2023-10-27 Willem Diepeveen , Carlos Esteve-Yagüe , Jan Lellmann , Ozan Öktem , Carola-Bibiane Schönlieb

We consider a class of nonsmooth optimization problems over the Stiefel manifold, in which the objective function is weakly convex in the ambient Euclidean space. Such problems are ubiquitous in engineering applications but still largely…

Optimization and Control · Mathematics 2021-03-26 Xiao Li , Shixiang Chen , Zengde Deng , Qing Qu , Zhihui Zhu , Anthony Man Cho So

In recent years, manifold learning has become increasingly popular as a tool for performing non-linear dimensionality reduction. This has led to the development of numerous algorithms of varying degrees of complexity that aim to recover man…

Machine Learning · Statistics 2013-06-03 Dominique Perraul-Joncas , Marina Meila

Dueling optimization considers optimizing an objective with access to only a comparison oracle of the objective function. It finds important applications in emerging fields such as recommendation systems and robotics. Existing works on…

Optimization and Control · Mathematics 2026-03-03 Yuxuan Ren , Abhishek Roy , Shiqian Ma

Riemannian accelerated gradient methods have been well studied for smooth optimization, typically treating geodesically convex and geodesically strongly convex cases separately. However, their extension to nonsmooth problems on manifolds…

Optimization and Control · Mathematics 2025-09-29 Shuailing Feng , Yuhang Jiang , Wen Huang , Shihui Ying

Linear operators and optimisation are at the core of many algorithms used in signal and image processing, remote sensing, and inverse problems. For small to medium-scale problems, existing software packages (e.g., MATLAB, Python numpy and…

Mathematical Software · Computer Science 2019-07-30 Matteo Ravasi , Ivan Vasconcelos

Linear discriminant analysis (LDA) is a widely used algorithm in machine learning to extract a low-dimensional representation of high-dimensional data, it features to find the orthogonal discriminant projection subspace by using the Fisher…

Machine Learning · Computer Science 2021-07-21 Wanguang Yin , Zhengming Ma , Quanying Liu

We introduce in this paper a manifold optimization framework that utilizes semi-Riemannian structures on the underlying smooth manifolds. Unlike in Riemannian geometry, where each tangent space is equipped with a positive definite inner…

Optimization and Control · Mathematics 2018-12-20 Tingran Gao , Lek-Heng Lim , Ke Ye

Stochastic minimax optimization on Riemannian manifolds has recently attracted significant attention due to its broad range of applications, such as robust training of neural networks and robust maximum likelihood estimation. Existing…

Optimization and Control · Mathematics 2026-02-11 Hongye Wang , Chang He , Bo Jiang

Motivated by the growing demand for low-precision arithmetic in computational science, we exploit lower-precision emulation in Python -- widely regarded as the dominant programming language for numerical analysis and machine learning.…

Machine Learning · Computer Science 2026-02-26 Erin Carson , Xinye Chen

Mirror Descent (MD) is a scalable first-order method widely used in large-scale optimization, with applications in image processing, policy optimization, and neural network training. This paper generalizes MD to optimization on Riemannian…

Machine Learning · Statistics 2026-03-19 Jiaxin Jiang , Lei Shi , Jiyuan Tan

To exploit both memory locality and the full performance potential of highly tuned kernels, dense linear algebra libraries such as LAPACK commonly implement operations as blocked algorithms. However, to achieve next-to-optimal performance…

Mathematical Software · Computer Science 2022-04-08 Elmar Peise , Paolo Bientinesi

This paper introduces the generalized quaternionic Stiefel manifold and studies its geometry for Riemannian optimization. We clarify its relationships with existing manifolds, especially the real generalized Stiefel manifold and the…

Optimization and Control · Mathematics 2026-03-17 Hiroyuki Sato

Bayesian parameter inference for complex stochastic simulators is challenging due to intractable likelihood functions. Existing simulation-based inference methods often require large number of simulations and become costly to use in…

Machine Learning · Computer Science 2026-04-06 Vasilis Gkolemis , Christos Diou , Michael U. Gutmann

In this paper we present BilevelJuMP, a new Julia package to support bilevel optimization within the JuMP framework. The package is a Julia library that enables the user to describe both upper and lower-level optimization problems using the…

Optimization and Control · Mathematics 2022-12-21 Joaquim Dias Garcia , Guilherme Bodin , Alexandre Street

We present QuantumToolbox$.$jl, an open-source Julia package for simulating open quantum systems. Designed with a syntax familiar to users of QuTiP (Quantum Toolbox in Python), it harnesses Julia's high-performance ecosystem to deliver fast…

Quantum Physics · Physics 2025-10-06 Alberto Mercurio , Yi-Te Huang , Li-Xun Cai , Yueh-Nan Chen , Vincenzo Savona , Franco Nori

This paper introduces JaxPruner, an open-source JAX-based pruning and sparse training library for machine learning research. JaxPruner aims to accelerate research on sparse neural networks by providing concise implementations of popular…

In this paper, we propose a simple acceleration scheme for Riemannian gradient methods by extrapolating iterates on manifolds. We show when the iterates are generated from Riemannian gradient descent method, the accelerated scheme achieves…

Optimization and Control · Mathematics 2022-08-16 Andi Han , Bamdev Mishra , Pratik Jawanpuria , Junbin Gao