arXiv Machine Learning

Curvature-aware Expected Free Energy as an Acquisition Function for Bayesian Optimization

The paper introduces a curvature‑aware Expected Free Energy (EFE) acquisition function for Bayesian optimization, designed to jointly learn and optimize an underlying function. It demonstrates that, under certain assumptions, EFE reduces to familiar criteria such as Upper Confidence Bound, Lower Confidence Bound, and Expected Information Gain, and provides unbiased convergence guarantees for concave functions. Empirical results on a Van der Pol oscillator system identification task and a two‑dimensional oscillatory benchmark show that the adaptive EFE achieves competitive performance in both regret and mean squared error, outperforming typical acquisition functions that excel in only one metric.

arXiv Machine Learning
Jun 2

Local Preferential Bayesian Optimization

arXiv:2606. 02351v1 Announce Type: new Abstract: Bayesian optimization (BO) is a popular and effective approach for tuning expensive, noisy experiments, but requires the formulation of an explicit objective function.

By Johanna Menn, Miriam Kober, Paul Brunzema, David Stenger, Sebastian Trimpe
arXiv Machine Learning
Jun 8

$\alpha$-PFN: Fast Entropy Search via In-Context Learning

arXiv:2606. 07134v1 Announce Type: new Abstract: Information-theoretic acquisition functions such as Entropy Search (ES) offer a principled exploration-exploitation framework for Bayesian optimization (BO).

By Herilalaina Rakotoarison, Steven Adriaensen, Tom Viering, Carl Hvarfner, Samuel M\"uller, Frank Hutter, Eytan Bakshy
arXiv Machine Learning
Sep 15

Bridging Control, Inference, Transport, and Thermodynamics: From Theory to Applications in Learning

The review explores how control theory, optimal transport, probabilistic inference, non‑equilibrium thermodynamics, and machine learning are interconnected through the optimization of free‑energy‑like functionals under dynamical or statistical constraints. It presents a conceptual thread linking these five fields and illustrates the ideas with applications in reinforcement learning, variational inference, and generative modeling. The article is written for readers without prior familiarity, beginning with physics principles.

By Emmy Blumenthal, Nikolas Claussen, Benjamin Eysenbach, Catherine Ji, Gautam Reddy, Colin Scheibner, Benjamin Sorkin
arXiv Machine Learning
Jun 9

Improving Bayesian Optimization via Training-Aware Conditional Diffusion Models

arXiv:2606. 08438v1 Announce Type: cross Abstract: Bayesian optimization (BO) is a widely used approach for black-box optimization that uses a Gaussian process (GP) as a surrogate and guides sequential evaluations via an acquisition function, with the ultimate goal of locating the global optimum $\mathbf{x}^{\star}$.

By Yilin Zheng, Haowei Wang, Szu Hui Ng, Enlu Zhou
arXiv Statistics ML
2d ago

Exact information accounting for SGD methods

arXiv:2610.00446v1 Announce Type: cross Abstract: As an alternative to the standard geometric analyses, we give an exact, information-theoretic analysis of stochastic gradient descent (SGD) and its v...

By Akshay Balsubramani
arXiv AI
Jun 3

Introduction to optimization methods for training SciML models

arXiv:2601. 10222v2 Announce Type: replace-cross Abstract: Optimization is central to both modern machine learning (ML) and scientific machine learning (SciML), yet the structure of the underlying optimization problems differs substantially across these domains.

By Alena Kopani\v{c}\'akov\'a, Elisa Riccietti
arXiv Machine Learning
Aug 3

Frugal Bayesian Optimization: Scalable Surrogates for Data- and Resource-Limited Discovery

arXiv:2607. 29225v1 Announce Type: new Abstract: Bayesian Optimization (BO) is widely adopted for data-efficient optimization in scientific and engineering applications, yet its computational cost is rarely evaluated alongside optimization performance.

By Panagiotis Krokidas, Christoforos Rekatsinas, Vassilis Sioros, Grigorios M. Chatziathanasiou, Efi-Maria Papia, George Giannakopoulos
arXiv AI
Aug 20

Automated Computational Energy Minimization of ML Algorithms using Constrained Bayesian Optimization

The paper presents a method that uses Constrained Bayesian Optimization (CBO) to minimize the energy consumption of machine learning models while ensuring their generalization performance stays above a specified threshold. By treating energy usage as the primary objective and performance as a constraint, the authors demonstrate that CBO can reduce training energy costs on both regression and classification tasks without sacrificing predictive accuracy.

By Pallavi Mitra, Felix Biessmann