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LLM Safety Alignment is Divergence Estimation in Disguise

NeurIPS 2025 · Large language models › Alignment and preferences · approach: Steering and correcting LLM behavior · 0 citations (OpenAlex)

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Shows that popular alignment losses (KTO, BCO, DPO) act as divergence estimators between aligned and unaligned distributions, proposes KLDO and a general f-divergence optimizer family, and links resulting latent safety separation (Bhattacharyya distance) to robustness.

Problem

Why do safe and harmful prompts become separated in the hidden representation space after LLM safety alignment, and is this separation a fundamental consequence of alignment methods?

Approach

Frames alignment losses (RLHF/DPO, KTO, BCO) as variational divergence estimators between aligned and unaligned response distributions, derives alignment-consistent optimal policies, and proposes KLDO (KL-based DV objective) and FDO (general f-divergence family); compliance-refusal data is argued to yield stronger separation than preference data.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use KLDO instead of the strongest listed baseline for prompt safety separationLlama3.2-1B · Safety prompt separationBhattacharyya Distance (D_B): 6.50 vs 5.75Mixed
Use KLDO instead of BCOLlama2-7B · Overall safety robustnessOverall Robust Score: 80.54 -> 90.44Helped
Use KLDO instead of BCOGemma2-2B · Safety prompt separationBhattacharyya Distance (D_B): 2.91 -> 10.13Helped
Use KLDO instead of BCOMistral-7B-v0.1 · Overall safety robustnessOverall Robust Score: 96.29 -> 87.87*Hurt
Use KLDO instead of BCOQwen2.5-1.5B · Overall safety robustnessOverall Robust Score: 76.01 -> 92.04Helped
Use compliance–refusal data rather than preference dataLlama3.2-1B aligned model · Safe versus harmful prompt separation and AdvBenchBhattacharyya Distance (D_B)Helped
Increase prompt representation separationAligned models across methods · AdvBench CleanPearson correlation with D_B: -0.50 (0.024)Helped
Increase prompt representation separationAligned models across methods · AdvBench GCGPearson correlation with D_B: -0.50 (0.023)Helped
Increase prompt representation separationAligned models across methods · SALADPearson correlation with D_B: -0.82 (<0.001)Helped
Increase prompt representation separationAligned models across methods · ToxiGenPearson correlation with D_B: 0.66 (0.0014)Helped
Increase prompt representation separationAligned models across methods · Overall robustnessPearson correlation with D_B: 0.70 (0.0006)Helped

Surprising findings

Limitations

Experimental setup

Datasets: SafeAligner Alpaca-GPT4-Data AdvBench SALAD ToxiGen AlpacaEval MMLU GSM8K

Benchmarks: AdvBench SALAD ToxiGen AlpacaEval MMLU GSM8K

Metrics: Bhattacharyya distance attack success rate ToxiGen accuracy win rate exact match Pearson correlation

Baselines: DPO KTO BCO

Builds on: DPO KTO BCO MINE Donsker-Varadhan representation

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