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Balancing competing objectives is omnipresent across disciplines, from drug design to autonomous systems. Multi-objective Bayesian optimization is a promising solution for such expensive, black-box problems: it fits probabilistic surrogates…

Machine Learning · Computer Science 2026-05-13 Xinyu Zhang , Conor Hassan , Julien Martinelli , Daolang Huang , Samuel Kaski

Single-objective black box optimization (also known as zeroth-order optimization) is the process of minimizing a scalar objective $f(x)$, given evaluations at adaptively chosen inputs $x$. In this paper, we consider multi-objective…

Machine Learning · Computer Science 2020-06-11 Daniel Golovin , Qiuyi Zhang

Low-Rank Adaptation (LoRA) enables parameter-efficient fine-tuning of large models by decomposing weight updates into low-rank matrices, significantly reducing storage and computational overhead. While effective, standard LoRA lacks…

Machine Learning · Computer Science 2026-05-11 Viktar Dubovik , Patryk Marszałek , Jacek Tabor , Tomasz Kuśmierczyk

Choosing the number of topics $T$ in Latent Dirichlet Allocation (LDA) is a key design decision that strongly affects both the statistical fit and interpretability of topic models. In this work, we formulate the selection of $T$ as a…

Machine Learning · Computer Science 2025-12-19 Roman Akramov , Artem Khamatullin , Svetlana Glazyrina , Maksim Kryzhanovskiy , Roman Ischenko

Sequential computation via autoregressive generation can make difficult tasks learnable, but the generation order of intermediate states strongly affects whether training succeeds. We address the problem of discovering a learning-friendly…

Machine Learning · Computer Science 2026-05-11 Yuta Sato , Kazuhiko Kawamoto , Hiroshi Kera

An important area of combinatorial optimization is the study of packing and covering problems, such as Bin Packing, Multiple Knapsack, and Bin Covering. Those problems have been studied extensively from the viewpoint of approximation…

Data Structures and Algorithms · Computer Science 2020-07-07 Max Bannach , Sebastian Berndt , Marten Maack , Matthias Mnich , Alexandra Lassota , Malin Rau , Malte Skambath

We consider the problem of multi-objective optimization (MOO) of expensive black-box functions with the goal of discovering high-quality and diverse Pareto fronts where we are allowed to evaluate a batch of inputs. This problem arises in…

Machine Learning · Computer Science 2024-06-14 Alaleh Ahmadianshalchi , Syrine Belakaria , Janardhan Rao Doppa

Molecular property optimization (MPO) problems are inherently challenging since they are formulated over discrete, unstructured spaces and the labeling process involves expensive simulations or experiments, which fundamentally limits the…

Biomolecules · Quantitative Biology 2024-01-04 Farshud Sorourifar , Thomas Banker , Joel A. Paulson

Neural Combinatorial Optimization (NCO) has emerged as a promising approach for NP-hard problems. However, prevailing RL-based methods suffer from low sample efficiency due to sparse rewards and underused solutions. We propose Best-anchored…

Machine Learning · Computer Science 2025-06-03 Zijun Liao , Jinbiao Chen , Debing Wang , Zizhen Zhang , Jiahai Wang

Some real problems require the evaluation of expensive and noisy objective functions. Moreover, the analytical expression of these objective functions may be unknown. These functions are known as black-boxes, for example, estimating the…

Machine Learning · Statistics 2021-07-12 Lucia Asencio Martín , Eduardo C. Garrido-Merchán

We introduce SONO, a novel method leveraging Second-Order Neural Ordinary Differential Equations (Second-Order NODEs) to enhance cross-modal few-shot learning. By employing a simple yet effective architecture consisting of a Second-Order…

Computer Vision and Pattern Recognition · Computer Science 2024-12-23 Yi Zhang , Chun-Wun Cheng , Junyi He , Zhihai He , Carola-Bibiane Schönlieb , Yuyan Chen , Angelica I Aviles-Rivero

In this work, we introduce BBoE, a bidirectional, kinodynamic, sampling-based motion planner that consistently and quickly finds low-cost solutions in environments with varying obstacle clutter. The algorithm combines exploration and…

Robotics · Computer Science 2025-09-25 Srikrishna Bangalore Raghu , Alessandro Roncone

Bayesian Optimization (BO) has shown great promise for the global optimization of functions that are expensive to evaluate, but despite many successes, standard approaches can struggle in high dimensions. To improve the performance of BO,…

Machine Learning · Computer Science 2022-06-17 Sebastian Ament , Carla Gomes

High dimensional parameter space optimization is crucial in many applications. The parameters affecting this performance can be both numerical and categorical in their type. The existing techniques of black-box optimization and visual…

Human-Computer Interaction · Computer Science 2022-05-02 Anjul Tyagi

Code runtime optimization-the task of rewriting a given code to a faster one-remains challenging, as it requires reasoning about performance trade-offs involving algorithmic and structural choices. Recent approaches employ code-LLMs with…

Programming Languages · Computer Science 2025-10-14 Su-Hyeon Kim , Joonghyuk Hahn , Sooyoung Cha , Yo-Sub Han

Many control problems require repeated tuning and adaptation of controllers across distinct closed-loop tasks, where data efficiency and adaptability are critical. We propose a hierarchical Bayesian optimization (BO) framework that is…

Systems and Control · Electrical Eng. & Systems 2026-03-27 Sebastian Hirt , Lukas Theiner , Maik Pfefferkorn , Rolf Findeisen

Many important collective decision-making problems can be seen as multi-agent versions of discrete optimisation problems. Participatory budgeting, for instance, is the collective version of the knapsack problem; other examples include…

Artificial Intelligence · Computer Science 2021-12-02 Linus Boes , Rachael Colley , Umberto Grandi , Jerome Lang , Arianna Novaro

Neural combinatorial optimization (NCO) is a promising learning-based approach for solving challenging combinatorial optimization problems without specialized algorithm design by experts. However, most constructive NCO methods cannot solve…

Machine Learning · Computer Science 2024-01-17 Fu Luo , Xi Lin , Fei Liu , Qingfu Zhang , Zhenkun Wang

Variational Autoencoders (VAEs) are a powerful framework for learning latent representations of reduced dimensionality, while Neural ODEs excel in learning transient system dynamics. This work combines the strengths of both to generate fast…

Machine Learning · Computer Science 2025-02-27 Julius Aka , Johannes Brunnemann , Jörg Eiden , Arne Speerforck , Lars Mikelsons

Finding tight bounds on the optimal solution is a critical element of practical solution methods for discrete optimization problems. In the last decade, decision diagrams (DDs) have brought a new perspective on obtaining upper and lower…

Artificial Intelligence · Computer Science 2019-02-28 Quentin Cappart , Emmanuel Goutierre , David Bergman , Louis-Martin Rousseau