Support or Magnitude? Characterizing Neuron Relevance for Instruction Data Selection

Data attribution methods using gradient similarity are widely used to analyze and select training data for large language models, but what gradient similarity actually measures is debated. Some interpret it as identifying task-relevant skills, while other work reports that surface form is the main factor. We resolve this debate for supervised fine-tuning examples by varying task and answer format independently. Specifically, we render benchmarks in different answer formats, such that datasets can share a task without a format or a format without a task. We find that gradient alignment follows the answer format, as benchmark pairs sharing an answer format align strongly (disattenuated cosine near 0.4), while same benchmarks rendered with different answer format classes show no alignment (near 0.0). We demonstrate that this ordering holds from the earliest pretraining checkpoints through post-training, and across model scales and families. We then analyze the released selections of LESS, a gradient-based data selection method for instruction tuning, and find that each target's selections over-represent the target's own answer format. Hence, we demonstrate that gradient-based attribution methods track format similarity more than task semantics, meaning that such methods, as well as the semantic interpretation of the gradient, should be tested on data where answer format and task vary independently for greater robustness and reliability.

Instruction Tuning (IT) has been proven to be an effective approach to unlock the powerful capabilities of large language models (LLMs). Recent studies indicate that excessive IT data can degrade LLMs performance, while carefully selecting a small subset of high-quality IT data can significantly enhance their capabilities. Therefore, identifying the most efficient subset data from the IT dataset to effectively develop either specific or general abilities in LLMs has become a critical challenge. To address this, we propose a novel and efficient framework called NAIT. NAIT evaluates the impact of IT data on LLMs performance by analyzing the similarity of neuron activation patterns between the IT dataset and the target domain capability. Specifically, NAIT captures neuron activation patterns from in-domain datasets of target domain capabilities to construct reusable and transferable neuron activation features. It then evaluates and selects optimal samples based on the similarity between candidate samples and the expected activation features of the target capabilities. Experimental results show that training on the 10% Alpaca-GPT4 IT data subset selected by NAIT consistently outperforms methods that rely on external advanced models or uncertainty-based features across various tasks. Our findings also reveal the transferability of neuron activation features across different capabilities of LLMs. In particular, IT data with more logical reasoning and programmatic features possesses strong general transferability, enabling models to develop stronger capabilities across multiple tasks, while a stable core subset of data is sufficient to consistently activate fundamental model capabilities and universally improve performance across diverse tasks.

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.