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Optimization over trained machine learning models has applications including: verification, minimizing neural acquisition functions, and integrating a trained surrogate into a larger decision-making problem. This paper formulates and solves…

Optimization and Control · Mathematics 2023-10-13 Shiqiang Zhang , Juan S. Campos , Christian Feldmann , David Walz , Frederik Sandfort , Miriam Mathea , Calvin Tsay , Ruth Misener

Graph-structured data is central to many scientific and industrial domains, where the goal is often to optimize objectives defined over graph structures. Given the combinatorial complexity of graph spaces, such optimization problems are…

Optimization and Control · Mathematics 2025-09-25 Shiqiang Zhang , Ruth Misener

This paper investigates how the compositional structure of neural networks shapes their optimization landscape and training dynamics. We analyze the gradient flow associated with overparameterized optimization problems, which can be…

Machine Learning · Computer Science 2025-11-14 Arthur Castello Branco de Oliveira , Dhruv Jatkar , Eduardo Sontag

Supervised machine learning pipelines trained on features derived from persistent homology have been experimentally observed to ignore much of the information contained in a persistence diagram. Computing persistence diagrams is often the…

Machine Learning · Statistics 2025-07-11 Nicole Abreu , Parker B. Edwards , Francis Motta

We explore the role of torsion in hybrid deep learning models that incorporate topological data analysis, focusing on autoencoders. While most TDA tools use field coefficients, this conceals torsional features present in integer homology.…

Algebraic Topology · Mathematics 2025-09-22 Maria Walch

Higher-order numerical methods are used to find accurate numerical solutions to hyperbolic partial differential equations and equations of transport type. Limiting is required to either converge to the correct type of solution or to adhere…

Numerical Analysis · Mathematics 2024-07-10 James Woodfield

Many learning problems involve symmetries, and while invariance can be built into neural architectures, it can also emerge implicitly when training on group-structured data. We study this phenomenon in classical Hopfield networks and show…

Machine Learning · Computer Science 2026-01-21 Michael Murray , Tenzin Chan , Kedar Karhadker , Christopher J. Hillar

Normalizing Flows explicitly maximize a full-dimensional likelihood on the training data. However, real data is typically only supported on a lower-dimensional manifold leading the model to expend significant compute on modeling noise.…

Machine Learning · Computer Science 2024-06-28 Peter Sorrenson , Felix Draxler , Armand Rousselot , Sander Hummerich , Lea Zimmermann , Ullrich Köthe

In this work, we solve the problem of finding non-intersecting paths between points on a plane with a new approach by borrowing ideas from geometric topology, in particular, from the study of polygonal schema in mathematics. We use a…

Discrete Mathematics · Computer Science 2021-05-10 Rak-Kyeong Seong , Chanho Min , Sang-Hoon Han , Jaeho Yang , Seungwoo Nam , Kyusam Oh

In this paper we introduce and study a new concept of parametrised topological complexity, a topological invariant motivated by the motion planning problem of robotics. In the parametrised setting, a motion planning algorithm has high…

Algebraic Topology · Mathematics 2021-09-10 Daniel C. Cohen , Michael Farber , Shmuel Weinberger

The problem of optimizing over random structures emerges in many areas of science and engineering, ranging from statistical physics to machine learning and artificial intelligence. For many such structures finding optimal solutions by means…

Computational Complexity · Computer Science 2022-10-12 David Gamarnik

We present a novel set of rigorous and computationally efficient topology-based complexity notions that exhibit a strong correlation with the generalization gap in modern deep neural networks (DNNs). DNNs show remarkable generalization…

Machine Learning · Computer Science 2024-12-17 Rayna Andreeva , Benjamin Dupuis , Rik Sarkar , Tolga Birdal , Umut Şimşekli

Topological data analysis (TDA) is a rising branch in modern applied mathematics. It extracts topological structures as features of a given space and uses these features to analyze digital data. Persistent homology, one of the central tools…

Algebraic Topology · Mathematics 2025-05-26 Chuan-Shen Hu

A density-based topology optimization framework is developed to manipulate characteristic modes of conducting surfaces. The adjoint sensitivity analysis provides an efficient computation of the material gradient utilized by the local…

Optimization and Control · Mathematics 2025-02-07 Jonas Tucek , Miloslav Capek , Lukas Jelinek

This paper considers the design of structures made of engineered materials, accounting for uncertainty in material properties. We present a topology optimization approach that optimizes the structural shape and topology at the macroscale…

Optimization and Control · Mathematics 2021-10-27 Subhayan De , Kurt Maute , Alireza Doostan

Trained ML models are commonly embedded in optimization problems. In many cases, this leads to large-scale NLPs that are difficult to solve to global optimality. While ML models frequently lead to large problems, they also exhibit…

Optimization and Control · Mathematics 2024-01-17 Artur M. Schweidtmann , Dominik Bongartz , Alexander Mitsos

Ensuring a smooth rate of efflux of particles from an outlet without unpredictable clogging events is crucial in processing powders and grains. We show by experiments and simulations that an obstacle placed near the outlet can greatly…

Soft Condensed Matter · Physics 2024-11-19 Abhijit Sinha , Jackson Diodati , Narayanan Menon , Shubha Tewari , Shankar Ghosh

Tensor networks represent the state-of-the-art in computational methods across many disciplines, including the classical simulation of quantum many-body systems and quantum circuits. Several applications of current interest give rise to…

Quantum Physics · Physics 2021-03-17 Johnnie Gray , Stefanos Kourtis

Normalizing flows are a powerful technique for obtaining reparameterizable samples from complex multimodal distributions. Unfortunately current approaches fall short when the underlying space has a non trivial topology, and are only…

Machine Learning · Statistics 2020-06-12 Luca Falorsi , Patrick Forré

Street intersection counts and densities are ubiquitous measures in transport geography and planning. However, typical street network data and typical street network analysis tools can substantially overcount them. This article explains the…

Physics and Society · Physics 2025-05-01 Geoff Boeing
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