Frank Hutter

Fabio Ferreira, Lucca Wobbe, Arjun Krishnakumar et al.

The autoresearch repository enables an LLM agent to search for optimal hyperparameter configurations on an unconstrained search space by editing the training code directly. Given a fixed compute budget and constraints, we use \emph{autoresearch} as a testbed to compare classical hyperparameter optimization (HPO) algorithms against LLM-based methods on tuning the hyperparameters of a small language model. Within a fixed hyperparameter search space, classical HPO methods such as CMA-ES and TPE consistently outperform LLM-based agents. However, an LLM agent that directly edits training source code in an unconstrained search space narrows the gap to classical methods substantially despite using only a self-hosted open-weight 27B model. Methods that avoid out-of-memory failures outperform those with higher search diversity, suggesting that reliability matters more than exploration breadth. While small and mid-sized LLMs struggle to track optimization state across trials, classical methods lack domain knowledge. To bridge this gap, we introduce Centaur, a hybrid that shares CMA-ES's internal state, including mean vector, step-size, and covariance matrix, with an LLM. Centaur achieves the best result in our experiments, with its 0.8B variant outperforming the 27B variant, suggesting that a cheap LLM suffices when paired with a strong classical optimizer. The 0.8B model is insufficient for unconstrained code editing but sufficient for hybrid optimization, while scaling to 27B provides no advantage for fixed search space methods with the open-weight models tested. Code is available at https://github.com/ferreirafabio/autoresearch-automl.

Andrej Schwanke, Lyubomir Ivanov, David Salinas et al.

Despite their widespread adoption in various domains, especially due to their powerful reasoning capabilities, Large Language Models (LLMs) are not the off-the-shelf choice to drive multi-objective optimization yet. Conventional strategies rank high in benchmarks due to their intrinsic capabilities to handle numerical inputs and careful modelling choices that balance exploration and Pareto-front exploitation, as well as handle multiple (conflicting) objectives. In this paper, we close this gap by leveraging LLMs as surrogate models and candidate samplers inside a structured hierarchical search strategy. By adaptively partitioning the input space into disjoint hyperrectangular regions and ranking them with a composite score function, we restrict the generative process of the LLM to specific, high-potential sub-spaces, hence making the problem easier to solve as the LLM doesn't have to reason about the global structure of the problem, but only locally instead. We show that under standard regularity assumptions, our algorithm generates candidate solutions that converge to the true Pareto set in Hausdorff distance. Empirically, it consistently outperforms the global LLM-based multi-objective optimizer and is on par with standard evolutionary and Bayesian optimization algorithm on synthetic and real-world benchmarks.

Magnus Bühler, Lennart Purucker, Frank Hutter

Fine-tuning tabular foundation models (TFMs) under data scarcity is challenging, as early stopping on even scarcer validation data often fails to capture true generalization performance. We propose CausalMixFT, a method that enhances fine-tuning robustness and downstream performance by generating structurally consistent synthetic samples using Structural Causal Models (SCMs) fitted on the target dataset. This approach augments limited real data with causally informed synthetic examples, preserving feature dependencies while expanding training diversity. Evaluated across 33 classification datasets from TabArena and over 2300 fine-tuning runs, our CausalMixFT method consistently improves median normalized ROC-AUC from 0.10 (standard fine-tuning) to 0.12, outperforming purely statistical generators such as CTGAN (-0.01), TabEBM (-0.04), and TableAugment (-0.09). Moreover, it narrows the median validation-test performance correlation gap from 0.67 to 0.30, enabling more reliable validation-based early stopping, a key step toward improving fine-tuning stability under data scarcity. These results demonstrate that incorporating causal structure into data augmentation provides an effective and principled route to fine-tuning tabular foundation models in low-data regimes.