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Reasoning over Boundaries: Enhancing Specification Alignment via Test-time Deliberation
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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
- Align3 raises Qwen3-14B-thinking SAR from 57.32% (vanilla thinking) to 62.92% and Qwen3-14B non-thinking from 51.03% to 62.92%, with about 1,832 average tokens.
- GPT-5-chat achieves the highest SAR of 82.14% among evaluated models, ahead of GPT-4.1 at 69.20%.
- Multi-pass TTD methods such as TPO improve Qwen3-14B SAR to 58.76% but use about 21.6k completion tokens versus 946 for vanilla.
Surprising findings
- Self-Refine sharply degrades Llama-3.1-8B-Instruct SAR (44.54% to 35.16%), attributed to weaker generation quality and no external reward signal.
- Gemini-2.5-pro underperforms Gemini-2.5-flash-thinking, likely due to the constrained reasoning budget.
Limitations
- GPT-5 and OpenAI o-series models could not be evaluated because vendor safety guards blocked many prompts.
- Evaluation relies on LLM evaluators (GPT-4.1), with potential bias acknowledged by the authors.
- Benchmark covers only five scenarios with about 1,500 prompts and 103 specifications.
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
Closest papers by meaning
- RvLLM: LLM Runtime Verification with Domain Knowledge (NeurIPS 2025 · similarity 0.86)
- CoRe: Benchmarking LLMs’ Code Reasoning Capabilities through Static Analysis Tasks (NeurIPS 2025 · similarity 0.86)
- The Hawthorne Effect in Reasoning Models: Evaluating and Steering Test Awareness (NeurIPS 2025 · similarity 0.86)
- Controllable Safety Alignment: Inference-Time Adaptation to Diverse Safety Requirements (ICLR 2025 · similarity 0.85)
- Unveiling the Magic of Code Reasoning through Hypothesis Decomposition and Amendment (ICLR 2025 · similarity 0.85)
- CodeCrash: Exposing LLM Fragility to Misleading Natural Language in Code Reasoning (NeurIPS 2025 · similarity 0.85)
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