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Graph-structured data appears frequently in domains including chemistry, natural language semantics, social networks, and knowledge bases. In this work, we study feature learning techniques for graph-structured inputs. Our starting point is…

Machine Learning · Computer Science 2017-09-26 Yujia Li , Daniel Tarlow , Marc Brockschmidt , Richard Zemel

Network structure optimization is a fundamental task in complex network analysis. However, almost all the research on Bayesian optimization is aimed at optimizing the objective functions with vectorial inputs. In this work, we first present…

Machine Learning · Statistics 2018-11-07 Jiaxu Cui , Bo Yang

This paper proposes a numerical method using neural networks to solve the path integral problem in quantum mechanics for arbitrary potentials. The method is based on a radial basis function expansion of the interaction term that appears in…

High Energy Physics - Phenomenology · Physics 2026-03-20 Gabor Balassa

Real-world optimization problems are generally not just black-box problems, but also involve mixed types of inputs in which discrete and continuous variables coexist. Such mixed-space optimization possesses the primary challenge of modeling…

Machine Learning · Computer Science 2022-02-09 Jaeyeon Ahn , Taehyeon Kim , Seyoung Yun

The gauge function, closely related to the atomic norm, measures the complexity of a statistical model, and has found broad applications in machine learning and statistical signal processing. In a high-dimensional learning problem, the…

Optimization and Control · Mathematics 2022-03-11 Armin Eftekhari , Peyman Mohajerin Esfahani

Path integral contour deformations have been shown to mitigate sign and signal-to-noise problems associated with phase fluctuations in lattice field theories. We define a family of contour deformations applicable to $SU(N)$ lattice gauge…

High Energy Physics - Lattice · Physics 2021-06-02 William Detmold , Gurtej Kanwar , Henry Lamm , Michael L. Wagman , Neill C. Warrington

Combinatorial optimization problems near algorithmic phase transitions represent a fundamental challenge for both classical algorithms and machine learning approaches. Among them, graph coloring stands as a prototypical constraint…

Optimizing embedded systems, where the optimization of one depends on the state of another, is a formidable computational and algorithmic challenge, that is ubiquitous in real world systems. We study flow networks, where bilevel…

Optimization and Control · Mathematics 2022-11-09 Bo Li , David Saad , Chi Ho Yeung

We consider a graphical model where a multivariate normal vector is associated with each node of the underlying graph and estimate the graphical structure. We minimize a loss function obtained by regressing the vector at each node on those…

Machine Learning · Statistics 2017-09-19 Xingqi Du , Subhashis Ghosal

We develop sampling methods, which consist of Gaussian invariant versions of random walk Metropolis (RWM), Metropolis adjusted Langevin algorithm (MALA) and second order Hessian or Manifold MALA. Unlike standard RWM and MALA we show that…

Machine Learning · Statistics 2025-06-27 Michalis K. Titsias , Angelos Alexopoulos , Siran Liu , Petros Dellaportas

We propose a globally convergent Gauss-Newton algorithm for finding a local optimal solution of a non-convex and possibly non-smooth optimization problem. The algorithm that we present is based on a Gauss-Newton-type iteration for the…

Optimization and Control · Mathematics 2020-12-08 Ilyes Mezghani , Quoc Tran-Dinh , Ion Necoara , Anthony Papavasiliou

Graph neural networks (GNN) have achieved state-of-the-art performance on various industrial tasks. However, the poor efficiency of GNN inference and frequent Out-Of-Memory (OOM) problem limit the successful application of GNN on edge…

Machine Learning · Computer Science 2021-04-13 Ao Zhou , Jianlei Yang , Yeqi Gao , Tong Qiao , Yingjie Qi , Xiaoyi Wang , Yunli Chen , Pengcheng Dai , Weisheng Zhao , Chunming Hu

This paper introduces a framework to capture previously intractable optimization constraints and transform them to a mixed-integer linear program, through the use of neural networks. We encode the feasible space of optimization problems…

Systems and Control · Electrical Eng. & Systems 2022-07-15 Ilgiz Murzakhanov , Andreas Venzke , George S. Misyris , Spyros Chatzivasileiadis

The Bayesian inversion method demonstrates significant potential for solving inverse problems, enabling both point estimation and uncertainty quantification (UQ). However, Bayesian maximum a posteriori (MAP) estimation may become unstable…

Numerical Analysis · Mathematics 2025-06-04 Ruibiao Song , Liying Zhang

We consider the energy minimization problem for undirected graphical models, also known as MAP-inference problem for Markov random fields which is NP-hard in general. We propose a novel polynomial time algorithm to obtain a part of its…

Artificial Intelligence · Computer Science 2015-08-19 Paul Swoboda , Alexander Shekhovtsov , Jörg Hendrik Kappes , Christoph Schnörr , Bogdan Savchynskyy

Optimal transportation provides a means of lifting distances between points on a geometric domain to distances between signals over the domain, expressed as probability distributions. On a graph, transportation problems can be used to…

Optimization and Control · Mathematics 2018-03-26 Montacer Essid , Justin Solomon

Gating mechanisms have emerged as an effective strategy integrated into model designs beyond recurrent neural networks for addressing long-range dependency problems. In a broad understanding, it provides adaptive control over the…

Computer Vision and Pattern Recognition · Computer Science 2026-02-27 Yifan Wang , Xu Ma , Yitian Zhang , Zhongruo Wang , Sung-Cheol Kim , Vahid Mirjalili , Vidya Renganathan , Yun Fu

In this paper, we propose a novel approach that enhances recurrent neural networks (RNNs) by incorporating path signatures into their gating mechanisms. Our method modifies both Long Short-Term Memory (LSTM) and Gated Recurrent Unit (GRU)…

Machine Learning · Computer Science 2025-02-14 Rémi Genet , Hugo Inzirillo

Deep neural networks constructed from linear maps and positively homogeneous nonlinearities (e.g., ReLU) possess a fundamental gauge symmetry: the network function is invariant to node-wise diagonal rescalings. However, standard gradient…

Machine Learning · Computer Science 2026-01-19 Jeffrey Uhlmann

Effective intra-node GPU communication is essential for optimizing performance in MPI-based HPC applications, especially when leveraging multiple communication paths. In this study, we propose a novel approach that integrates CUDA Graphs…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-28 Amirhossein Sojoodi , Yiltan Hassan Temucin , Amirreza Baratisedeh , Hamed Sharifian , Ahmad Afsahi
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