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Finding the optimal solution is often the primary goal in combinatorial optimization (CO). However, real-world applications frequently require diverse solutions rather than a single optimum, particularly in two key scenarios. The first…

Machine Learning · Statistics 2025-08-15 Yuma Ichikawa , Hiroaki Iwashita

Many Machine Learning algorithms are formulated as regularized optimization problems, but their performance hinges on a regularization parameter that needs to be calibrated to each application at hand. In this paper, we propose a general…

Machine Learning · Statistics 2021-03-31 Mike Laszkiewicz , Asja Fischer , Johannes Lederer

Quantum annealing is a heuristic algorithm for solving combinatorial optimization problems, and D-Wave Systems Inc. has developed hardware for implementing this algorithm. The current version of the D-Wave quantum annealer can solve…

Quantum Physics · Physics 2022-11-09 Shuntaro Okada , Masayuki Ohzeki , Shinichiro Taguchi

Although quantum computing hardware has evolved significantly in recent years, spurred by increasing industrial and government interest, the size limitation of current generation quantum computers remains an obstacle when applying these…

Quantum Physics · Physics 2020-01-20 Gideon Bass , Max Henderson , Joshua Heath , Joseph Dulny

We consider the problem of predicting a response variable from a set of covariates on a data set that differs in distribution from the training data. Causal parameters are optimal in terms of predictive accuracy if in the new distribution…

Methodology · Statistics 2020-05-12 Dominik Rothenhäusler , Nicolai Meinshausen , Peter Bühlmann , Jonas Peters

One fundamental problem when solving inverse problems is how to find regularization parameters. This article considers solving this problem using data-driven bilevel optimization, i.e. we consider the adaptive learning of the regularization…

Statistics Theory · Mathematics 2021-01-08 Neil K. Chada , Claudia Schillings , Xin T. Tong , Simon Weissmann

Categorical regressor variables are usually handled by introducing a set of indicator variables, and imposing a linear constraint to ensure identifiability in the presence of an intercept, or equivalently, using one of various coding…

Computation · Statistics 2018-05-21 Felicitas J. Detmer , Martin Slawski

We propose an ML-based model that automates and expedites the solution of MIPs by predicting the values of variables. Our approach is motivated by the observation that many problem instances share salient features and solution structures…

Optimization and Control · Mathematics 2023-02-24 Konstantinos Benidis , Ugo Rosolia , Syama Rangapuram , George Iosifidis , Georgios Paschos

We consider the problem of active learning on graphs, which has crucial applications in many real-world networks where labeling node responses is expensive. In this paper, we propose an offline active learning method that selects nodes to…

Machine Learning · Statistics 2024-11-08 Yuanchen Wu , Yubai Yuan

The omnipresence of deep learning architectures such as deep convolutional neural networks (CNN)s is fueled by the synergistic combination of ever-increasing labeled datasets and specialized hardware. Despite the indisputable success, the…

Machine Learning · Statistics 2016-11-29 Meshia Cédric Oveneke , Mitchel Aliosha-Perez , Yong Zhao , Dongmei Jiang , Hichem Sahli

Unsupervised learning (UL)-based solvers for combinatorial optimization (CO) train a neural network that generates a soft solution by directly optimizing the CO objective using a continuous relaxation strategy. These solvers offer several…

Machine Learning · Statistics 2024-11-01 Yuma Ichikawa

Many tasks in graph machine learning, such as link prediction and node classification, are typically solved by using representation learning, in which each node or edge in the network is encoded via an embedding. Though there exists a lot…

Autoregressive visual generation models typically rely on tokenizers to compress images into tokens that can be predicted sequentially. A fundamental dilemma exists in token representation: discrete tokens enable straightforward modeling…

Computer Vision and Pattern Recognition · Computer Science 2025-09-01 Yuqing Wang , Zhijie Lin , Yao Teng , Yuanzhi Zhu , Shuhuai Ren , Jiashi Feng , Xihui Liu

Transformers are designed for discrete tokens, yet many real-world signals are continuous processes observed through noisy sampling. Discrete tokenizations (raw values, patches, finite differences) can be brittle in low signal-to-noise…

Machine Learning · Computer Science 2026-01-21 Griffin Kearney

Autoregressive models enable tractable sampling from learned probability distributions, but their performance critically depends on the variable ordering used in the factorization via complexities of the resulting conditional distributions.…

Machine Learning · Statistics 2026-03-04 Shiba Biswal , Marc Vuffray , Andrey Y. Lokhov

We propose methods to strengthen the invariance properties of representations obtained by contrastive learning. While existing approaches implicitly induce a degree of invariance as representations are learned, we look to more directly…

Machine Learning · Computer Science 2021-03-23 Adam Foster , Rattana Pukdee , Tom Rainforth

Recent works on machine learning for combinatorial optimization have shown that learning based approaches can outperform heuristic methods in terms of speed and performance. In this paper, we consider the problem of finding an optimal…

Quantum annealers have been designed to propose near-optimal solutions to NP-hard optimization problems. However, the accuracy of current annealers such as the ones of D-Wave Systems, Inc., is limited by environmental noise and hardware…

Quantum Physics · Physics 2022-10-27 Aaron Barbosa , Elijah Pelofske , Georg Hahn , Hristo N. Djidjev

Bayesian optimization (BO) is a popular technique for sequential black-box function optimization, with applications including parameter tuning, robotics, environmental monitoring, and more. One of the most important challenges in BO is the…

Machine Learning · Computer Science 2018-03-29 Paul Rolland , Jonathan Scarlett , Ilija Bogunovic , Volkan Cevher

The development of enhanced sampling methods has greatly extended the scope of atomistic simulations, allowing long-time phenomena to be studied with accessible computational resources. Many such methods rely on the identification of an…

Computational Physics · Physics 2022-06-08 Luigi Bonati , GiovanniMaria Piccini , Michele Parrinello