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Black box optimization (BBO) focuses on optimizing unknown functions in high-dimensional spaces. In many applications, sampling the unknown function is expensive, imposing a tight sample budget. Ongoing work is making progress on reducing…

机器学习 · 计算机科学 2025-07-29 Rajalaxmi Rajagopalan , Yu-Lin Wei , Romit Roy Choudhury

Sufficient supervised information is crucial for any machine learning models to boost performance. However, labeling data is expensive and sometimes difficult to obtain. Active learning is an approach to acquire annotations for data from a…

机器学习 · 计算机科学 2019-06-18 Quan Kong , Bin Tong , Martin Klinkigt , Yuki Watanabe , Naoto Akira , Tomokazu Murakami

By contrasting the performance of two quantum annealers operating at different temperatures, we address recent questions related to the role of temperature in these devices and their function as `Boltzmann samplers'. Using a method to…

量子物理 · 物理学 2018-01-03 Jeffrey Marshall , Eleanor G. Rieffel , Itay Hen

As one of the most robust global optimization methods, simulated annealing has received considerable attention, with many variations that attempt to improve the cooling schedule. This paper introduces a variant of simulated annealing that…

化学物理 · 物理学 2020-02-17 Mariia Karabin , Steven J. Stuart

We present an end-to-end framework for generating solutions to combinatorial optimization problems with unknown components using transformer-based sequence-to-sequence neural networks. Our framework learns directly from past solutions and…

最优化与控制 · 数学 2026-02-06 Macarena Navarro , Willem-Jan van Hoeve , Karan Singh

The paper focuses on the a posteriori tuning of a generative model in order to favor the generation of good instances in the sense of some external differentiable criterion. The proposed approach, called Boltzmann Tuning of Generative…

人工智能 · 计算机科学 2021-04-13 Victor Berger , Michele Sebag

One of the main challenges in distributed learning arises from the difficulty of handling heterogeneous local models and data. In light of the recent success of generative models, we propose to meet this challenge by building on the idea of…

机器学习 · 计算机科学 2025-11-04 Dmitrij Schlesinger , Boris Flach

Ensemble weather predictions require statistical post-processing of systematic errors to obtain reliable and accurate probabilistic forecasts. Traditionally, this is accomplished with distributional regression models in which the parameters…

机器学习 · 统计学 2019-04-01 Stephan Rasp , Sebastian Lerch

AI-driven design problems, such as DNA/protein sequence design, are commonly tackled from two angles: generative modeling, which efficiently captures the feasible design space (e.g., natural images or biological sequences), and model-based…

The Boltzmann machine is one of the various applications using quantum annealer. We propose an application of the Boltzmann machine to the kernel matrix used in various machine-learning techniques. We focus on the fact that shift-invariant…

量子物理 · 物理学 2023-04-21 Yasushi Hasegawa , Hiroki Oshiyama , Masayuki Ohzeki

The efficiency of top-K item recommendation based on implicit feedback are vital to recommender systems in real world, but it is very challenging due to the lack of negative samples and the large number of candidate items. To address the…

信息检索 · 计算机科学 2019-06-06 Haoyu Wang , Defu Lian , Yong Ge

We propose a new approach to train the Generative Adversarial Nets (GANs) with a mixture of generators to overcome the mode collapsing problem. The main intuition is to employ multiple generators, instead of using a single one as in the…

机器学习 · 计算机科学 2017-10-31 Quan Hoang , Tu Dinh Nguyen , Trung Le , Dinh Phung

In materials science, the challenge of rapid prototyping materials with desired properties often involves extensive experimentation to find suitable microstructures. Additionally, finding microstructures for given properties is typically an…

机器学习 · 计算机科学 2024-05-22 Sébastien Bompas , Stefan Sandfeld

We develop VSD, a method for conditioning a generative model of discrete, combinatorial designs on a rare desired class by efficiently evaluating a black-box (e.g. experiment, simulation) in a batch sequential manner. We call this task…

机器学习 · 统计学 2025-11-24 Daniel M. Steinberg , Rafael Oliveira , Cheng Soon Ong , Edwin V. Bonilla

Black-box optimization minimizes an objective function without derivatives or explicit forms. Such an optimization method with continuous variables has been successful in the fields of machine learning and material science. For discrete…

Recent advancement in generative models have demonstrated remarkable performance across various data modalities. Beyond their typical use in data synthesis, these models play a crucial role in distribution matching tasks such as latent…

机器学习 · 计算机科学 2025-08-19 Sagar Shrestha , Rajesh Shrestha , Tri Nguyen , Subash Timilsina

Simulated annealing is an effective and general means of optimization. It is in fact inspired by metallurgy, where the temperature of a material determines its behavior in thermodynamics. Likewise, in simulated annealing, the actions that…

机器学习 · 计算机科学 2020-07-01 Avrim Blum , Chen Dan , Saeed Seddighin

We propose in this paper a novel approach to tackle the problem of mode collapse encountered in generative adversarial network (GAN). Our idea is intuitive but proven to be very effective, especially in addressing some key limitations of…

机器学习 · 计算机科学 2017-09-13 Tu Dinh Nguyen , Trung Le , Hung Vu , Dinh Phung

Generative modeling is an unsupervised machine learning framework, that exhibits strong performance in various machine learning tasks. Recently we find several quantum version of generative model, some of which are even proven to have…

量子物理 · 物理学 2024-02-06 Hiroyuki Tezuka , Shumpei Uno , Naoki Yamamoto

Computing equilibrium states in condensed-matter many-body systems, such as solvated proteins, is a long-standing challenge. Lacking methods for generating statistically independent equilibrium samples in "one shot", vast computational…

机器学习 · 统计学 2019-07-15 Frank Noé , Simon Olsson , Jonas Köhler , Hao Wu