HeadQ: Model-Visible Distortion and Score-Space Correction for KV-Cache Quantization

Large language models cache all previously computed key-value (KV) pairs during generation, and this KV cache grows linearly with sequence length, making it a primary memory bottleneck for serving. Quantizing the KV cache to fewer bits reduces this cost, yet all current quantizers assign the same bit-width to every attention head, ignoring the large variation in head importance. A natural idea is to allocate more bits to important heads and fewer to the rest. We show, however, that such mixed-precision allocation has a hidden pitfall: each quantizer follows a different distortion curve D(b)=alpha*beta^{-b}, and the decay rate beta varies from 3.6 to 5.3 across quantizer designs. Applying one quantizer's distortion model to another inverts the allocation order and makes performance worse than uniform quantization. We call this failure mode distortion model mismatch and propose RateQuant to resolve it. RateQuant fits a per-quantizer distortion model from a small calibration set, then solves the resulting bit-allocation problem in closed form via reverse waterfilling from rate-distortion theory. On Qwen3-8B at 2.5 average bits, calibrated RateQuant reduces KIVI's perplexity from 49.3 to 14.9 (70% reduction) and improves QuaRot by 6.6 PPL. The entire calibration takes 1.6 s on a single GPU and adds zero overhead at inference time.

Existing low-bit KV-cache quantizers often treat each cached key as a flat vector. Under RoPE, however, a key's contribution to a future attention logit decomposes into a position-dependent sum over two-dimensional frequency blocks. This makes key-cache quantization a block-wise bit-allocation problem: high-energy RoPE blocks are more sensitive to quantization error and should receive more bits. We introduce Block-GTQ, a RoPE-aware bit allocator for key-cache quantization built on TurboQuant-MSE(TQ-MSE). For each layer and KV head, Block-GTQ computes a label-free energy score for each RoPE block and greedily allocates integer bit widths by marginal gain. Under matched K/V bit budgets, Block-GTQ better preserves RoPE query-key logits on a ten-model diagnostic panel, cutting per-layer MAE by 32-80% at 2 and 3 b/dim K-only quantization and winning all 367/367 layer comparisons against uniform TQ-MSE. These fidelity gains translate to stronger downstream long-context retrieval, understanding, and reasoning. At K2V2 on Llama-3.1-8B-Instruct, Block-GTQ raises the six-task NIAH average from 70.6 to 97.4, and the LongBench-EN average from 36.87 to 53.31. On AIME 2024/2025 with DeepSeek-R1-Distill-Qwen-7B, without an fp16 recent-key buffer, Block-GTQ at K3V2 scores 51.7/37.5, close to fp16's 54.2/37.9, whereas uniform TQ-MSE collapses to 0.0/0.0. We further implement a packed-cache serving path. On a single H800 GPU with Qwen2.5-3B-Instruct, packed K3V3 achieves 3.24x KV-cache compression with fp16-comparable quality, runs 1.34x faster than fp16 FlashAttention2 at 128K context, reduces peak memory from 56.31 GB to 19.85 GB, and remains feasible at 256K and 512K where fp16 OOMs. Code is available at https://github.com/JIA-Lab-research/blockgtq.

Long-context LLM decoding reads the key-value (KV) cache at every step. Loading it takes longer than computing attention over it, so throughput is bandwidth-bound. Hence, reducing the cache size can raise both decoding speed and serving capacity. The challenge is to reduce cache size while preserving the attention products, keeping reconstruction cheap, and using a fixed per-token bit count. At two bits per element, the most competitive methods rely on orthogonal transforms. However, existing techniques are either data-oblivious or use the query statistics without deriving the transform from a distortion criterion. Moreover, they rely on transforms built on top of random or Hadamard rotations, which equalize variances across entries rather than compacting energy, and fixed-width scalar quantizers, which are suboptimal at low rates. In this paper, we formulate KV cache quantization as a transform coding problem in which distortion is the error in the attention products. We derive closed-form optimal transforms for keys and values from calibration statistics, under a high-resolution model. We show that the optimal key transform is not orthogonal and satisfies a generalized Parseval relation: the attention-aware distortion becomes mean-squared error (MSE) in the transform domain. Thus, we can use MSE-optimal vector quantizers applied directly to the transformed key coefficients. To meet the fixed-width layout requirement, we show that grouping coefficients into equal-volume partitions makes equal-size codebooks attain the variable-rate optimum under the same high-resolution model. At two bits per element, our method, termed NOVA-KV, recovers most of the long-context retrieval accuracy lost by scalar quantization methods at comparable throughput.