KerZOO: Kernel Function Informed Zeroth-Order Optimization for Accurate and Accelerated LLM Fine-Tuning

Large language models (LLMs) have demonstrated impressive capabilities across numerous NLP tasks. Nevertheless, conventional first-order fine-tuning techniques impose heavy memory demands, creating practical obstacles to real-world applications. Zeroth-order (ZO) optimization has recently emerged as a promising memory-efficient alternative, as it circumvents the need for backpropagation by estimating gradients solely through forward passes--making it particularly suitable for resource-limited environments. Despite its efficiency, ZO optimization suffers from gradient estimation bias, which significantly hinders convergence speed. To address this, we analytically identify and characterize the lower-order bias introduced during ZO-based gradient estimation in LLM fine-tuning. Motivated by tools in mathematical physics, we introduce a kernel-function-based ZO framework aimed at mitigating this bias and improving optimization stability. KerZOO achieves comparable or superior performance to existing ZO baselines in both full-parameter and parameter-efficient fine-tuning settings of LLMs, while significantly reducing the number of iterations required to reach convergence. For example, KerZOO reduces total GPU training hours by as much as 74% and 44% on WSC and MultiRC datasets in fine-tuning OPT-2.7B model and can exceed the MeZO baseline by 2.9% and 2.6% in accuracy. We show that the kernel function is an effective avenue for reducing estimation bias in ZO methods.