Xueqi Ma, Yanbei Jiang, Xingjun Ma, James Bailey, Sarah M. Erfani
Aligning large language models (LLMs) with multiple, potentially conflicting human values remains challenging, as existing multi-objective alignment methods often require costly fine-tuning and provide limited insight into the internal mechanisms underlying value-related behaviors. In this work, we investigate multi-value alignment from a mechanistic interpretability perspective by identifying value-sensitive attention heads (value heads) in LLMs. Using a probing-based value localization framework, we discover sparse sets of attention heads associated with diverse dimensions, spanning both human values (e.g., harmlessness, honesty) and stylistic preferences (e.g., coherence, complexity). Analyses across multiple LLM families reveal functional specialization and structured interactions among value heads, including conflicts between certain values. Targeted head ablations further induce substantial, value-specific behavioral changes, providing causal evidence of their functional importance. Building on these findings, we propose an inference-time activation steering strategy that enables controllable alignment with individual values or combinations of values without updating the underlying model parameters, supported by theoretical analysis. Experiments across multiple value alignment benchmarks demonstrate effective single- and multi-value control while largely preserving non-target model performance. Our findings connect mechanistic interpretability with flexible multi-value alignment, offering a foundation for more interpretable and pluralistic LLM behavior. The code is available at https://github.com/sihuo-design/ValueHeads.
Shuo Yang, Caren Han University of Melbourne, University of Western Australia and University of Sydney, Xueqi Ma, Yan Li, Mohammad Reza Ghasemi Madani University of Melbourne, Eduard Hovy
LLM-based agents depend on effective tool-use policies to solve complex tasks, yet optimizing these policies remains challenging dueto delayed supervision and the difficulty ofcredit assignment in long-horizon trajectories.Existing optimization approaches tend to beeither monolithic, which are prone to entangling behaviors, or single-aspect, which ignorecross-module error propagation. To addressthese limitations, we propose EVOTOOL, a self-evolving framework that optimizes a modulartool-use policy via a gradient-free evolutionary paradigm. EVOTOOL decomposes agent’stool-use policy into four modules, includingPlanner, Selector, Caller, and Synthesizer, anditeratively improves them through three mechanisms. Trajectory-Grounded Blame Attribution uses diagnostic traces to localize failuresto a specific module. Feedback-Guided Targeted Mutation then edits only that modulevia natural-language critique. Diversity-AwarePopulation Selection preserves complementarycandidates to ensure solution diversity. Acrossfour diverse benchmarks, EVOTOOL outperforms strong baselines by over 5 points on bothGPT-4.1 and Qwen3-8B, while achieving superior efficiency and transferability.
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cs.CL
Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers) · 2026 · 正式发表