arXiv Machine Learning

NeuroPareto: Calibrated Acquisition for Costly Many-Goal Search in Vast Parameter Spaces

arXiv:2602. 03901v5 Announce Type: replace Abstract: The pursuit of optimal trade-offs in high-dimensional search spaces under stringent computational constraints poses a fundamental challenge for contemporary multi-objective optimization.

arXiv AI
Sep 4

NeuroWeaver: An Autonomous Evolutionary Agent for Exploring the Programmatic Space of EEG Analysis Pipelines

NeuroWeaver is an autonomous evolutionary agent that designs EEG analysis pipelines by framing pipeline engineering as a discrete constrained optimization problem solved with large language model–driven code generation. It uses a Domain‑Informed Subspace Initialization to keep the search within neuroscientifically plausible solutions and a Multi‑Objective Evolutionary Optimization to balance performance, novelty, and efficiency. On five diverse benchmarks, NeuroWeaver produces lightweight pipelines that outperform state‑of‑the‑art task‑specific methods and match or exceed large foundation models while using far fewer parameters.

By Guoan Wang, Shihao Yang, Feng Liu
arXiv Machine Learning
Aug 27

Gradient-based Sample Selection for Faster Bayesian Optimization

The paper introduces Gradient-based Sample Selection Bayesian Optimization (GSSBO), a method that builds the Gaussian process surrogate on a strategically chosen subset of samples rather than the full dataset. By using gradient information to eliminate redundant points while keeping diversity and representativeness, GSSBO achieves sublinear regret bounds and reduces the cubic computational cost of standard BO. Experiments on synthetic and real-world tasks show that this approach maintains comparable optimization performance while significantly cutting GP fitting time and resource usage.

By Qiyu Wei, Haowei Wang, Zirui Cao, Songhao Wang, Richard Allmendinger, Mauricio A \'Alvarez
arXiv Machine Learning
Sep 18

Expected Hypervolume Maximization for Multiobjective Optimization under Uncertainties

The paper proposes a Bayesian decision framework for multiobjective optimization under uncertainty, focusing on maximizing the expected hypervolume over a finite set of input points. It demonstrates that gradient‑based stochastic optimization can be applied, especially when dominated points are handled carefully, and suggests using Gaussian Processes as differentiable surrogate models when direct gradients are unavailable. Additionally, the authors introduce active learning strategies via acquisition functions to build surrogate models tailored to the multiobjective problem and evaluate these strategies on simple analytical benchmarks.

By Victor Trappler (Mines Saint-\'Etienne MSE, LIMOS, FAYOL-ENSMSE, FAYOL-ENSMSE)
arXiv AI
Aug 26

Enhancing Bayesian Optimization and Active Learning Through Kernel Diversity

The paper introduces KENDO, a unified framework that combines Ensemble Gaussian Processes with disagreement‑aware acquisition strategies to address hyperparameter selection in Bayesian optimization and active learning. By replacing costly hyperparameter sampling with a kernel ensemble and adaptive Bayesian weighting, KENDO‑BO and KENDO‑AL provide self‑correcting mechanisms tailored to their respective tasks. Experiments on synthetic and real‑world benchmarks show that KENDO‑BO matches or outperforms state‑of‑the‑art methods while cutting computational cost up to fivefold, and KENDO‑AL delivers better predictive calibration with up to 27‑times speedup compared to MCMC‑based baselines.

By Heng Zhang, Haotian Xiang, Qin Lu, Konstantinos D. Polyzos, Tara Javidi
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 Machine Learning
Sep 3

HyperMC: Multi-Fidelity Hyperparameter Tuning for Stochastic Gradient MCMC

HyperMC is a multi‑fidelity hyperparameter tuning framework for stochastic gradient Markov chain Monte Carlo (SGMCMC) that combines Hyperband-style resource allocation with kernel Stein discrepancy (KSD) evaluation. It uses successive‑halving brackets to explore a continuous hyperparameter space while progressively refining promising configurations within a fixed computational budget. Robust HyperMC further introduces global grid initialization and elite‑guided local refinement to reduce sensitivity to random candidate generation and noisy evaluations, and theoretical analysis shows that the successive‑halving component selects a near‑optimal configuration with high probability under suitable conditions.

By Ming Tan, Xiyun Jiao