GIST: Targeted Data Selection for Instruction Tuning via Coupled Optimization Geometry

Parameter-Efficient Fine-Tuning (PEFT) has become a key strategy for adapting large language models, with recent advances in sparse tuning reducing overhead by selectively updating key parameters or subsets of data. Existing approaches generally focus on two distinct paradigms: layer-selective methods aiming to fine-tune critical layers to minimize computational load, and data-selective methods aiming to select effective training subsets to boost training. However, current methods typically overlook the fact that different data points contribute varying degrees to distinct model layers, and they often discard potentially valuable information from data perceived as of low quality. To address these limitations, we propose Gradient-aligned Sparse Tuning (GAST), an innovative method that simultaneously performs selective fine-tuning at both data and layer dimensions as integral components of a unified optimization strategy. GAST specifically targets redundancy in information by employing a layer-sparse strategy that adaptively selects the most impactful data points for each layer, providing a more comprehensive and sophisticated solution than approaches restricted to a single dimension. Experiments demonstrate that GAST consistently outperforms baseline methods, establishing a promising direction for future research in PEFT strategies.

Instruction fine-tuning of large language models (LLMs) often involves selecting a subset of instruction training data from a large candidate pool, using a small query set from the target task. Despite growing interest, the literature on targeted instruction selection remains fragmented and opaque: methods vary widely in selection budgets, often omit zero-shot baselines, and frequently entangle the contributions of key components. As a result, practitioners lack actionable guidance on selecting instructions for their target tasks. In this work, we aim to bring clarity to this landscape by disentangling and systematically analyzing the two core ingredients: data representation and selection algorithms. Our framework enables controlled comparisons across models, tasks, and budgets. We find that only gradient-based data representations choose subsets whose similarity to the query consistently predicts performance across datasets, models, and candidate pools. While no single method dominates, gradient-based representations paired with greedy round-robin selection often perform best on average at low budgets, but these gains diminish at larger budgets. Finally, we unify several existing selection algorithms as forms of approximate distance minimization between the selected subset and the query set, and support this view with new generalization bounds. More broadly, our findings provide critical insights and a foundation for more principled data selection in LLM fine-tuning. The code is available at https://github.com/dcml-lab/targeted-instruction-selection.

Targeted data selection seeks training examples from a candidate pool that improve downstream task performance. While trajectory-based selectors effectively guide this process, existing approaches typically construct reference states by warming up on the candidate pool itself, thereby inheriting pool-dependent distributional biases. To address this coupling, we introduce Target-Aligned Candidate Selection (TACS), which constructs a short, capacity-constrained reference path using a compact target-validation proxy. Candidates are ranked by their normalized loss reduction along this trajectory, requiring only forward passes and allowing the path to be reused across distinct pools for a fixed model-target pair. Empirically, TACS achieves competitive downstream performance across controlled logistic, vision, and NLP benchmarks, while slashing selection compute by up to 69% and candidate storage to less than 10 MB in large-scale instruction tuning.