Muhan Zhang
Publications
MISA: Mixture of Indexer Sparse Attention for Long-Context LLM Inference
DeepSeek Sparse Attention (DSA) sets the state of the art for fine-grained inference-time sparse attention by introducing a learned token-wise indexer that scores every prefix token and selects the most relevant ones for the main attention. To remain expressive, the indexer uses many query heads (for example, 64 on DeepSeek-V3.2) that share the same selected token set; this multi-head design is precisely what makes the indexer the dominant cost on long contexts. We propose MISA (Mixture of Indexer Sparse Attention), a drop-in replacement for the DSA indexer that treats its indexer heads as a pool of mixture-of-experts. A lightweight router uses cheap block-level statistics to pick a query-dependent subset of only a few active heads, and only those heads run the heavy token-level scoring. This preserves the diversity of the original indexer pool while reducing the per-query cost from scoring every prefix token with every head to scoring it with only a handful of routed heads, plus a negligible router term computed on a small set of pooled keys. We further introduce a hierarchical variant of MISA that uses the routed pass to keep an enlarged candidate set and then re-ranks it with the original DSA indexer to recover the final selected tokens almost exactly. With only eight active heads and no additional training, MISA matches the dense DSA indexer on LongBench across DeepSeek-V3.2 and GLM-5 while running with eight and four times fewer indexer heads respectively, and outperforms HISA on average. It also preserves fully green Needle-in-a-Haystack heatmaps up to a 128K-token context and recovers more than 92% of the tokens selected by the DSA indexer per layer. Our TileLang kernel delivers roughly a 3.82 times speedup over DSA's original indexer kernel on a single NVIDIA H200 GPU.
Rethinking Diffusion Models with Symmetries through Canonicalization with Applications to Molecular Graph Generation
Many generative tasks in chemistry and science involve distributions invariant to group symmetries (e.g., permutation and rotation). A common strategy enforces invariance and equivariance through architectural constraints such as equivariant denoisers and invariant priors. In this paper, we challenge this tradition through the alternative canonicalization perspective: first map each sample to an orbit representative with a canonical pose or order, train an unconstrained (non-equivariant) diffusion or flow model on the canonical slice, and finally recover the invariant distribution by sampling a random symmetry transform at generation time. Building on a formal quotient-space perspective, our work provides a comprehensive theory of canonical diffusion by proving: (i) the correctness, universality and superior expressivity of canonical generative models over invariant targets; (ii) canonicalization accelerates training by removing diffusion score complexity induced by group mixtures and reducing conditional variance in flow matching. We then show that aligned priors and optimal transport act complementarily with canonicalization and further improves training efficiency. We instantiate the framework for molecular graph generation under $S_n \times SE(3)$ symmetries. By leveraging geometric spectra-based canonicalization and mild positional encodings, canonical diffusion significantly outperforms equivariant baselines in 3D molecule generation tasks, with similar or even less computation. Moreover, with a novel architecture Canon, CanonFlow achieves state-of-the-art performance on the challenging GEOM-DRUG dataset, and the advantage remains large in few-step generation.