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Faced with problems of increasing complexity, recent research in Bayesian Optimisation (BO) has focused on adapting deep probabilistic models as flexible alternatives to Gaussian Processes (GPs). In a similar vein, this paper investigates…

Machine Learning · Computer Science 2022-05-31 Alexandre Maraval , Matthieu Zimmer , Antoine Grosnit , Rasul Tutunov , Jun Wang , Haitham Bou Ammar

We introduce marginalization models (MAMs), a new family of generative models for high-dimensional discrete data. They offer scalable and flexible generative modeling by explicitly modeling all induced marginal distributions.…

Machine Learning · Computer Science 2024-10-08 Sulin Liu , Peter J. Ramadge , Ryan P. Adams

Generative molecular optimization aims to design molecules with properties surpassing those of existing compounds. However, such candidates are rare and expensive to evaluate, yielding sample efficiency essential. Additionally, surrogate…

Expensive multi-objective optimization problems can be found in many real-world applications, where their objective function evaluations involve expensive computations or physical experiments. It is desirable to obtain an approximate Pareto…

Neural and Evolutionary Computing · Computer Science 2022-10-18 Xi Lin , Zhiyuan Yang , Xiaoyuan Zhang , Qingfu Zhang

This work develops algorithms for non-parametric confidence regions for samples from a univariate distribution whose support is a discrete mesh bounded on the left. We generalize the theory of Learned-Miller to preorders over the sample…

Computation · Statistics 2026-02-11 George Bissias

\textit{Mallows model} is a widely-used probabilistic framework for learning from ranking data, with applications ranging from recommendation systems and voting to aligning language models with human preferences~\cite{chen2024mallows,…

Machine Learning · Statistics 2025-07-14 Yeganeh Alimohammadi , Kiana Asgari

Combinatorial optimization problems are notoriously challenging for neural networks, especially in the absence of labeled instances. This work proposes an unsupervised learning framework for CO problems on graphs that can provide integral…

Machine Learning · Computer Science 2021-03-09 Nikolaos Karalias , Andreas Loukas

A body of work has been done to automate machine learning algorithm to highlight the importance of model choice. Automating the process of choosing the best forecasting model and its corresponding parameters can result to improve a wide…

Machine Learning · Computer Science 2021-09-02 Nadhir Hassen , Irina Rish

Models often need to be constrained to a certain size for them to be considered interpretable. For example, a decision tree of depth 5 is much easier to understand than one of depth 50. Limiting model size, however, often reduces accuracy.…

Machine Learning · Computer Science 2020-07-02 Abhishek Ghose , Balaraman Ravindran

Bayesian optimization (BO) is well known to be sample-efficient for solving black-box problems. However, the BO algorithms can sometimes get stuck in suboptimal solutions even with plenty of samples. Intrinsically, such suboptimal problem…

Machine Learning · Computer Science 2025-01-24 Zhendong Guo , Yew-Soon Ong , Tiantian He , Haitao Liu

The performance of deep (reinforcement) learning systems crucially depends on the choice of hyperparameters. Their tuning is notoriously expensive, typically requiring an iterative training process to run for numerous steps to convergence.…

Machine Learning · Computer Science 2021-01-19 Vu Nguyen , Sebastian Schulze , Michael A Osborne

Reinforcement learning algorithms are typically designed for discrete-time dynamics, even though the underlying real-world control systems are often continuous in time. In this paper, we study the problem of continuous-time reinforcement…

Machine Learning · Computer Science 2026-03-03 Klemens Iten , Lenart Treven , Bhavya Sukhija , Florian Dörfler , Andreas Krause

A central goal of machine learning is to learn robust representations that capture the causal relationship between inputs features and output labels. However, minimizing empirical risk over finite or biased datasets often results in models…

Machine Learning · Computer Science 2021-06-15 Chunting Zhou , Xuezhe Ma , Paul Michel , Graham Neubig

Learning-to-optimize leverages machine learning to accelerate optimization algorithms. While empirical results show tremendous improvements compared to classical optimization algorithms, theoretical guarantees are mostly lacking, such that…

Machine Learning · Computer Science 2025-06-02 Michael Sucker , Peter Ochs

Group distributionally robust optimization (GDRO) aims to develop models that perform well across $m$ distributions simultaneously. Existing GDRO algorithms can only process a fixed number of samples per iteration, either 1 or $m$, and…

Machine Learning · Computer Science 2025-05-22 Haomin Bai , Dingzhi Yu , Shuai Li , Haipeng Luo , Lijun Zhang

Heralded by the initial success in speech recognition and image classification, learning-based approaches with neural networks, commonly referred to as deep learning, have spread across various fields. A primitive form of a neural network…

Robotics · Computer Science 2024-09-02 Takuma Yoneda

Current approaches to model-based offline reinforcement learning often incorporate uncertainty-based reward penalization to address the distributional shift problem. These approaches, commonly known as pessimistic value iteration, use Monte…

Machine Learning · Computer Science 2025-01-17 Abdullah Akgül , Manuel Haußmann , Melih Kandemir

This paper concerns the central issues of model robustness and sample efficiency in offline reinforcement learning (RL), which aims to learn to perform decision making from history data without active exploration. Due to uncertainties and…

Machine Learning · Computer Science 2024-01-01 Laixi Shi , Yuejie Chi

We consider the problem of learning an $\varepsilon$-optimal policy in a general class of continuous-space Markov decision processes (MDPs) having smooth Bellman operators. Given access to a generative model, we achieve rate-optimal sample…

Machine Learning · Computer Science 2024-05-13 Davide Maran , Alberto Maria Metelli , Matteo Papini , Marcello Restelli

When some parameters of a constrained optimization problem (COP) are uncertain, this gives rise to a predict-then-optimize (PtO) problem, comprising two stages: the prediction of the unknown parameters from contextual information and the…

Machine Learning · Computer Science 2025-10-28 Jayanta Mandi , Marianne Defresne , Senne Berden , Tias Guns