LLM-Driven Performance-Space Augmentation for Meta-Learning-Based Algorithm Selection
Authors: Darren Zhu, Daren Ler
Organizations: Department of Statistics and Data Science National University of Singapore · Department of Computer Science National University of Singapore
Meta-learning for algorithm selection relies on a meta-dataset in which each row corresponds to a supervised learning dataset described by meta-features and labelled with a target value that is associated with algorithm choice (typically, some function of algorithm performance). A persistent limitation is that the number of curated real-world datasets is small, resulting in sparse meta-datasets that constrain meta-learner generalisation. In this paper, we address this problem by augmenting the meta-dataset with synthetic regression datasets produced via a large language model (LLM), with generation steered toward target regions of a low-dimensionality performance space. In our experiments, we adopt a two-dimensional geometric setting defined by the cross-validated R2 scores of two anchor algorithms, known as landmarkers. We compare two augmentation strategies: (1) uniform sampling, which distributes synthetic datasets across the performance space; and (2) margin-based sampling, which concentrates them near the decision boundary where landmarker preference is most ambiguous. Across 42 real-world UCI regression datasets and 730 synthetic datasets, both strategies substantially improve meta-learner performance over the unaugmented baseline under regression and multi-label evaluation formulations. However, uniform augmentation consistently outperforms margin-based augmentation, achieving a 17.47% relative reduction in Hamming loss, a 100.41% relative improvement in subset accuracy, and a +6.09% relative gain in pooled out-of-fold R2. These results lead us to postulate a central thesis: the performance of algorithms resides on a low-dimensional performance manifold, whose reconstruction bias may be minimised by user-guided LLMs that seek to maximise uniform ε-cover, and consequently, lead to improved meta-learning for algorithm selection.
Large Language Models can generate synthetic survey responses at low cost, but their accuracy varies unpredictably across questions. We study the design problem of allocating a fixed budget of human respondents across estimation tasks when cheap LLM predictions are available for every task. Our framework combines three components. First, building on Prediction-Powered Inference, we characterize a question-specific rectification difficulty that governs how quickly the estimator's variance decreases with human sample size. Second, we derive a closed-form optimal allocation rule that directs more human labels to tasks where the LLM is least reliable. Third, since rectification difficulty depends on unobserved human responses for new surveys, we propose a meta-learning approach, trained on historical data, that predicts it for entirely new tasks without pilot data. The framework extends to general M-estimation, covering regression coefficients and multinomial logit partworths for conjoint analysis. We validate the framework on two datasets spanning different domains, question types, and LLMs, showing that our approach captures 61-79% of the theoretically attainable efficiency gains, achieving 11.4% and 10.5% MSE reductions without requiring any pilot human data for the target survey.
Efficient benchmarking techniques aim to lower the computational cost of evaluating LLMs by predicting full benchmark scores using only a subset of a benchmark's questions. By reframing this problem as an instance of multiple regression with feature selection, we find that existing efficient benchmarking methods can be greatly improved by simply using kernel ridge regression at the prediction stage. Additionally, using an information-theoretic feature-selection algorithm called minimum redundancy maximum relevance (mRMR), we can further improve upon these methods by selecting question subsets that will be maximally useful for prediction. Except in very data-poor settings, these approaches consistently achieve smaller prediction errors (in both MAE and RMSE), and greater ranking correlation between predicted and true scores (in both Spearman ρ and Kendall τ) across a range of benchmarks using both binary and continuous metrics. Furthermore, mRMR subsampling is much faster than competitor methods (which often involve fitting probabilistic models or running clustering algorithms), and is more likely to select the same questions under different random seeds or training data splits. Tutorial code can be found at https://github.com/sambowyer/mrmr_eval .
Improving LLM performance on downstream tasks sometimes requires leveraging auxiliary datasets during post-training. In practice, however, developers face constraints on compute, labeling, and licensing costs that preclude using all available data, necessitating principled dataset-level selection. These constraints are increasingly shaped by dataset marketplaces, where data acquisition is governed by budgets and negotiation. We study dataset valuation as a subset selection problem during LLM post-training. Our goal is to identify and weight auxiliary datasets so as to maximize target task performance given constrained budgets. We first show that commonly used gradient alignment scores provide a reasonable yet incomplete valuation signal, as they ignore redundancy among datasets. To address this, we propose a scalable convex dataset-level valuation method based on kernel mean matching (KMM) in gradient space, which jointly accounts for alignment with the target task and redundancy across auxiliary datasets. Through extensive experiments across diverse post-training settings and tasks, we show that our approach consistently outperforms existing valuation baselines, achieving stronger performance with low computational overhead. Our results position dataset valuation as a practical decision tool for post-training data selection in market-constrained large language model settings. The code is available at https://github.com/uiuctml/convex_data_valuation.