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Machine learning models are increasingly used to predict material properties and accelerate atomistic simulations, but the reliability of their predictions depends on the representativeness of the training data. We present a scalable,…

化学物理 · 物理学 2025-10-20 Daniel Willimetz , Lukáš Grajciar

Neural network pruning can be formulated as a combinatorial optimization problem, yet most existing approaches rely on greedy heuristics that ignore complex interactions between filters. Formal optimization methods such as Quadratic…

计算机视觉与模式识别 · 计算机科学 2026-04-08 Osama Orabi , Artur Zagitov , Hadi Salloum , Viktor A. Lobachev , Kasymkhan Khubiev , Yaroslav Kholodov

This paper presents key enhancements to our previous work~\cite{naghmouchi2024mixed} on a hybrid Benders decomposition (HBD) framework for solving mixed integer linear programs (MILPs). In our approach, the master problem is reformulated as…

量子物理 · 物理学 2026-01-23 Anna Joliot , M. Yassine Naghmouchi , Wesley Coelho

In this work, we developed and tested 3 techniques for vector quantization (VQ) based model weight compression. To mitigate codebook collapse and enable end-to-end training, we adopted cosine similarity-based assignment. Building on ideas…

机器学习 · 计算机科学 2026-04-28 Terry Gou , Puneet Gupta

Quantum Annealing (QA) can efficiently solve combinatorial optimization problems whose objective functions are represented by Quadratic Unconstrained Binary Optimization (QUBO) formulations. For broader applicability of QA, quadratization…

量子物理 · 物理学 2025-07-29 Hyakka Nakada , Shu Tanaka

We develop a Vector Quantized Spectral Clustering (VQSC) algorithm that is a combination of Spectral Clustering (SC) and Vector Quantization (VQ) sampling for grouping Soybean genomes. The inspiration here is to use SC for its accuracy and…

定量方法 · 定量生物学 2018-10-02 Aditya A. Shastri , Kapil Ahuja , Milind B. Ratnaparkhe , Aditya Shah , Aishwary Gagrani , Anant Lal

Variational quantum algorithms (VQAs) have the potential of utilizing near-term quantum machines to gain certain computational advantages over classical methods. Nevertheless, modern VQAs suffer from cumbersome computational overhead,…

量子物理 · 物理学 2021-06-25 Yuxuan Du , Yang Qian , Dacheng Tao

Combinatorial optimization problems are typically formulated using Quadratic Unconstrained Binary Optimization (QUBO), where constraints are enforced through penalty terms that introduce auxiliary variables and rapidly increase Hamiltonian…

量子物理 · 物理学 2026-02-10 Shashank Sanjay Bhat , Peiyong Wang , Joseph West , Udaya Parampalli

Embedding probability distributions into reproducing kernel Hilbert spaces (RKHS) has enabled powerful nonparametric methods such as the maximum mean discrepancy (MMD), a statistical distance with strong theoretical and computational…

机器学习 · 统计学 2025-05-28 Masha Naslidnyk , Siu Lun Chau , François-Xavier Briol , Krikamol Muandet

Quadratic Unconstrained Binary Optimization (QUBO) is a broad class of optimization problems with many practical applications. To solve its hard instances in an exact way, known classical algorithms require exponential time and several…

量子物理 · 物理学 2021-01-21 Gian Giacomo Guerreschi

Quantum kernel methods, i.e., kernel methods with quantum kernels, offer distinct advantages as a hybrid quantum-classical approach to quantum machine learning (QML), including applicability to Noisy Intermediate-Scale Quantum (NISQ)…

量子物理 · 物理学 2022-11-29 Daniel T. Chang

Clustering is one of the most fundamental tasks in machine learning, and the k-means clustering algorithm is perhaps one of the most widely used clustering algorithms. However, it suffers from several limitations, such as sensitivity to…

量子物理 · 物理学 2026-04-10 Syed M. Abdullah , Alisha Baba , Muhammad Siddique , Muhammad Faryad

Vector quantization is a fundamental operation for data compression and vector search. To obtain high accuracy, multi-codebook methods represent each vector using codewords across several codebooks. Residual quantization (RQ) is one such…

机器学习 · 计算机科学 2024-05-22 Iris A. M. Huijben , Matthijs Douze , Matthew Muckley , Ruud J. G. van Sloun , Jakob Verbeek

Training Support Vector Machines (SVMs) can be formulated as a QUBO problem, enabling the use of quantum annealing for model optimization. In this work, we study how the number of qubits - linked to the discretization level of dual weights…

机器学习 · 计算机科学 2025-10-31 Sascha Mücke

Quadratic Unconstrained Binary Optimization (QUBO) is a general-purpose modeling framework for combinatorial optimization problems and is a requirement for quantum annealers. This paper utilizes the eigenvalue decomposition of the…

最优化与控制 · 数学 2021-06-22 Amit Verma , Mark Lewis

We introduce kernel-QA, a black-box optimization (BBO) method that constructs surrogate models analytically using low-order polynomial kernels within a quadratic unconstrained binary optimization (QUBO) framework, enabling efficient…

最优化与控制 · 数学 2025-11-07 Yuki Minamoto , Yuya Sakamoto

Kernel mean embedding (KME) is a powerful tool to analyze probability measures for data, where the measures are conventionally embedded into a reproducing kernel Hilbert space (RKHS). In this paper, we generalize KME to that of von…

机器学习 · 统计学 2020-07-30 Yuka Hashimoto , Isao Ishikawa , Masahiro Ikeda , Fuyuta Komura , Yoshinobu Kawahara

Combinatorial optimization problems, integral to various scientific and industrial applications, often vary significantly in their complexity and computational difficulty. Transforming such problems into Quadratic Unconstrained Binary…

量子物理 · 物理学 2024-04-04 Thore Gerlach , Sascha Mücke

Recent work has proposed solving the k-means clustering problem on quantum computers via the Quantum Approximate Optimization Algorithm (QAOA) and coreset techniques. Although the current method demonstrates the possibility of quantum…

量子物理 · 物理学 2024-06-25 Canaan Yung , Muhammad Usman

Several disciplines, like the social sciences, epidemiology, sentiment analysis, or market research, are interested in knowing the distribution of the classes in a population rather than the individual labels of the members thereof.…

机器学习 · 计算机科学 2024-01-04 Alejandro Moreo , Pablo González , Juan José del Coz