arXiv subjects

Timo Heiß

Publications and source records attributed to Timo Heiß.

5 recordsLinked to original sources

arXiv2026

SAILS: Surrogate-based Analysis of Interactions via Local Effect Smooths

Feature interactions drive much of the predictive power of machine learning models, yet existing explanation methods only detect and quantify interactions without revealing their functional form, or visualize only restricted interaction types. We propose Surrogate-based Analysis of Interactions via Local effect Smooths (SAILS), a model-agnostic framework that analyzes pairwise interactions through interpretable generalized additive model (GAM) surrogates fitted to the local effects of a black-box model. For each interval of a feature of interest, the surrogate smooth terms isolate the interaction components on derivative level, enabling (i) interaction detection through a heuristic derived from significance tests on smooth terms, (ii) interaction form categorization into linear, product-separable, and non-product-separable types, and (iii) tailored, interpretable visualizations for each interaction type. We empirically validate the framework through controlled simulations and a real-world task, demonstrating its effectiveness for pairwise interactions, with limitations under strong feature correlations and higher-order interactions. SAILS fills a notable gap in the XAI toolbox, going beyond detection of interactions alone to characterizing their functional form.

stat.ML↗

arXiv2026

MO-CAPO: Multi-Objective Cost-Aware Prompt Optimization

Large language models (LLMs) achieve strong performance across a wide range of tasks but are highly sensitive to prompt design, motivating the need for automatic prompt optimization. Existing methods predominantly focus on performance alone, ignoring competing objectives such as inference cost or latency. At the same time, existing work on multi-objective prompt optimization relies on off-the-shelf NSGA-II, ignoring optimization efficiency. As a remedy, we introduce MO-CAPO, a novel multi-objective prompt optimization algorithm that jointly optimizes performance and inference cost while leveraging budget allocation for cost-efficient optimization. We further propose a deployment-oriented cost objective that captures the full computational profile of LLM inference. We evaluate our approach across four tasks and three LLMs and compare it to an NSGA-II-based multi-objective method and state-of-the-art single-objective prompt optimizers. Results show that MO-CAPO consistently identifies strong, robust, and diverse Pareto front approximations while maintaining cost-efficiency. It outperforms the NSGA-II baseline on 8 out of 12 cases in terms of the noisy R2 metric and achieves competitive performances often already at a considerably lower budget. The discovered solution sets span diverse performance-cost trade-offs that are omitted by single-objective optimizers, yet the top-performance candidates remain competitive with single-objective solutions. Additionally, we conduct the first evaluation of multi-objective machine learning experiments that considers generalization and robustness through noisy R2 and approximation gap, enabling a more realistic assessment of solution quality. MO-CAPO enables practitioners to select from an efficiently discovered set of multiple prompts offering different trade-offs between performance and cost.

cs.LG↗

arXiv2026

Analyzing Error Sources in Global Feature Effect Estimation

Global feature effects such as partial dependence (PD) and accumulated local effects (ALE) plots are widely used to interpret black-box models. However, they are only estimates of true underlying effects, and their reliability depends on multiple sources of error. Despite the popularity of global feature effects, these error sources are largely unexplored. In particular, the practically relevant question of whether to use training or holdout data to estimate feature effects remains unanswered. We address this gap by providing a systematic, estimator-level analysis that disentangles sources of bias and variance for PD and ALE. To this end, we derive a mean-squared-error decomposition that separates model bias, estimation bias, model variance, and estimation variance, and analyze their dependence on model characteristics, data selection, and sample size. We validate our theoretical findings through an extensive simulation study across multiple data-generating processes, learners, estimation strategies (training data, validation data, and cross-validation), and sample sizes. Our results reveal that, while using holdout data is theoretically the cleanest, potential biases arising from the training data are empirically negligible and dominated by the impact of the usually higher sample size. The estimation variance depends on both the presence of interactions and the sample size, with ALE being particularly sensitive to the latter. Cross-validation-based estimation is a promising approach that reduces the model variance component, particularly for overfitting models. Our analysis provides a principled explanation of the sources of error in feature effect estimates and offers concrete guidance on choosing estimation strategies when interpreting machine learning models.

stat.ML↗

arXiv2025

promptolution: A Unified, Modular Framework for Prompt Optimization

Prompt optimization has become crucial for enhancing the performance of large language models (LLMs) across a broad range of tasks. Although many research papers demonstrate its effectiveness, practical adoption is hindered because existing implementations are often tied to unmaintained, isolated research codebases or require invasive integration into application frameworks. To address this, we introduce promptolution, a unified, modular open-source framework that provides all components required for prompt optimization within a single extensible system for both practitioners and researchers. It integrates multiple contemporary discrete prompt optimizers, supports systematic and reproducible benchmarking, and returns framework-agnostic prompt strings, enabling seamless integration into existing LLM pipelines while remaining agnostic to the underlying model implementation.

cs.CL↗

arXiv2025

CAPO: Cost-Aware Prompt Optimization

Large language models (LLMs) have revolutionized natural language processing by solving a wide range of tasks simply guided by a prompt. Yet their performance is highly sensitive to prompt formulation. While automatic prompt optimization addresses this challenge by finding optimal prompts, current methods require a substantial number of LLM calls and input tokens, making prompt optimization expensive. We introduce CAPO (Cost-Aware Prompt Optimization), an algorithm that enhances prompt optimization efficiency by integrating AutoML techniques. CAPO is an evolutionary approach with LLMs as operators, incorporating racing to save evaluations and multi-objective optimization to balance performance with prompt length. It jointly optimizes instructions and few-shot examples while leveraging task descriptions for improved robustness. Our extensive experiments across diverse datasets and LLMs demonstrate that CAPO outperforms state-of-the-art discrete prompt optimization methods in 11/15 cases with improvements up to 21%p in accuracy. Our algorithm achieves better performances already with smaller budgets, saves evaluations through racing, and decreases average prompt length via a length penalty, making it both cost-efficient and cost-aware. Even without few-shot examples, CAPO outperforms its competitors and generally remains robust to initial prompts. CAPO represents an important step toward making prompt optimization more powerful and accessible by improving cost-efficiency.

cs.CL↗