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Reasoning over Boundaries: Enhancing Specification Alignment via Test-time Deliberation

ICML 2026 · Large language models › Reasoning and chain of thought · approach: Routing, pruning and distillation for reasoning · 0 citations (OpenAlex)

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Introduces SpecBench, a 1,500-prompt benchmark of scenario-specific safety and behavioral specifications, and Align3, a lightweight test-time deliberation method with hierarchical reflection that improves specification alignment (SAR) with minimal token overhead.

Problem

LLMs must follow dynamic, scenario-specific behavioral and safety specifications, but there is no unified benchmark measuring this jointly, and training-based alignment is costly to adapt as specifications evolve.

Approach

Formalizes specification alignment as a constrained objective (maximize behavioral compliance subject to safety budget), defines the SAR metric that zeroes unsafe responses and scores safe ones by behavioral compliance, and proposes Align3, a three-stage single-pass thinking intervention (behavior optimization, safety-guided refinement at end-of-thinking, holistic audit).

Key results

Surprising findings

Limitations

Experimental setup

Datasets: WMDP WildJailbreak BioprotocolBench ChildSafe DPO Code Vulnerability Mitre Attack Arena Hard BigCodeBench Fitness QA Medical Dialogue Traveler Trip

Benchmarks: SpecBench

Metrics: Specification Alignment Rate (SAR) safety score behavioral score

Baselines: Best-of-N Self-Refine TPO ZeroThink MoreThink RealSafe-R1-8B STAIR-Llama-3.1-8B-DPO-3 GPT-4.1 GPT-5-chat

Builds on: Best-of-N Self-Refine TPO MoreThink ZeroThink deliberative alignment

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