Eric Coissac
27f5e88a7b
Replace raw SuperkMer routing with a new RoutableSuperKimer type that embeds canonical sequences and precomputed minimizers, enabling direct partition routing via hash. Update the build pipeline to yield RoutableSuperKmers throughout (builder, scatterer), refactor FASTA/unitig export commands to use the new type and compressed outputs (.fasta.gz, .unitigs.fasta.zst), revise SuperKmer header to store n_kmers instead of seql (avoiding 256-byte wrap), and update documentation to reflect minimizer-based theory, two evidence-encoding strategies for unitig-MPHF indexing (global offset vs. ID+rank), and the new obipipeline library architecture with parallel workers, biased scheduling, and error handling.
1174 lines
25 KiB
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1174 lines
25 KiB
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Kmers and super-kmers
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DNA encoding
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Entropy filter
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Minimizer selection
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Chunk reader
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obipipeline library
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On-disk storage
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MPHF selection
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MPHF selection
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Indexing architecture
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Superkmer vs kmer counts
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Phase 1 — provisional index and spectrum
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Phase 2 — definitive index
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Candidates
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MPHF choice per phase
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Space at scale
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On-disk and mmap considerations
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Unitig evidence encoding
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Phase 1 — provisional index and spectrum
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MPHF choice per phase
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On-disk and mmap considerations
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<article class="md-content__inner md-typeset">
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<h1 id="mphf-selection-two-phase-indexing-architecture">MPHF selection — two-phase indexing architecture</h1>
|
||
<h2 id="indexing-architecture">Indexing architecture</h2>
|
||
<p>Kmer indexing per partition proceeds in two phases. The separation is necessary because the exact number of unique kmers in a partition is not known until after counting and filtering.</p>
|
||
<h3 id="superkmer-vs-kmer-counts">Superkmer vs kmer counts</h3>
|
||
<p>The <code>SKFileMeta</code> sidecar written by <code>SKFileWriter</code> records <code>instances</code> (unique superkmers) and <code>length_sum</code> (total nucleotides). A superkmer of length L contains L − k + 1 kmers, so the kmer count per partition can be estimated as <code>length_sum − instances × (k − 1)</code>. This is an <strong>overestimate</strong> of unique kmers: two distinct superkmers (different flanking contexts, same minimizer) can share kmers. The exact count of unique kmers is only known after enumerating and deduplicating them.</p>
|
||
<p>Note: two superkmers sharing a kmer necessarily share the same minimizer and therefore always land in the same partition — no kmer can appear in two different partitions.</p>
|
||
<h3 id="phase-1-provisional-index-and-spectrum">Phase 1 — provisional index and spectrum</h3>
|
||
<ol>
|
||
<li>Enumerate all kmers from the dereplicated superkmers of the partition.</li>
|
||
<li>Build a provisional MPHF over this key set; capacity is pre-allocated from the sidecar estimate (slight overestimate, harmless).</li>
|
||
<li>Accumulate counts: for each kmer in each superkmer, <code>count[MPHF(kmer)] += sk.count()</code>.</li>
|
||
<li>Compute the kmer frequency spectrum (histogram: occurrences → number of kmers).</li>
|
||
<li>Apply count filter (e.g. discard singletons). After filtering, the exact number of surviving kmers is known.</li>
|
||
<li>Discard the provisional MPHF.</li>
|
||
</ol>
|
||
<h3 id="phase-2-definitive-index">Phase 2 — definitive index</h3>
|
||
<p>Build a new MPHF over the filtered kmer set only, with the exact key count available. This is the persistent per-partition index used for all downstream operations (queries, set operations).</p>
|
||
<hr />
|
||
<h2 id="candidates">Candidates</h2>
|
||
<p><strong>boomphf</strong> (BBHash algorithm, maintained by 10X Genomics):</p>
|
||
<ul>
|
||
<li>~3.7 bits/key; mature crate, used in production bioinformatics (Pufferfish, Piscem)</li>
|
||
<li>Parallel construction; well-tested with DNA kmer data at scale</li>
|
||
<li>Drawback: largest space footprint; streaming construction (no exact count needed) was its main differentiator — irrelevant here since exact count is available at phase 2</li>
|
||
</ul>
|
||
<p><strong>ptr_hash</strong> (PtrHash algorithm, Groot Koerkamp, SEA 2025):</p>
|
||
<ul>
|
||
<li>~2.4 bits/key; fastest queries (≥2.1× over alternatives, 8–12 ns/key for u64 in tight loops) and fastest construction (≥3.1×)</li>
|
||
<li>Requires exact key count at construction — available at phase 2</li>
|
||
<li>Drawback: published February 2025 — very young, no production track record</li>
|
||
</ul>
|
||
<p><strong>FMPHGO</strong> (<code>ph</code> crate, Beling, ACM JEA 2023):</p>
|
||
<ul>
|
||
<li>~2.1 bits/key — most compact of the three; good query speed; parallelisable construction</li>
|
||
<li>More established than ptr_hash; actively maintained</li>
|
||
<li>Works well with overestimated capacity → natural fit for phase 1</li>
|
||
</ul>
|
||
<h2 id="mphf-choice-per-phase">MPHF choice per phase</h2>
|
||
<p><strong>Phase 1</strong> (provisional, discarded after spectrum computation): FMPHGO. Tolerates overestimated capacity, compact, no need to optimise for query speed on a temporary structure.</p>
|
||
<p><strong>Phase 2</strong> (persistent, queried repeatedly): open between FMPHGO and ptr_hash. Exact key count is available, so both operate optimally. ptr_hash's query speed advantage (2.1–3.3×) is meaningful for the persistent index but carries the risk of a very young crate. FMPHGO is the conservative default; ptr_hash is worth revisiting once it has broader production use.</p>
|
||
<p>boomphf is effectively eliminated: its space overhead is the largest and its streaming-construction advantage does not apply here.</p>
|
||
<hr />
|
||
<h2 id="space-at-scale">Space at scale</h2>
|
||
<p>For 1 024 partitions × 100 M kmers/partition (phase 2 index, after filtering):</p>
|
||
<table>
|
||
<thead>
|
||
<tr>
|
||
<th>MPHF</th>
|
||
<th>bits/key</th>
|
||
<th>Total MPHF size</th>
|
||
</tr>
|
||
</thead>
|
||
<tbody>
|
||
<tr>
|
||
<td>boomphf</td>
|
||
<td>3.7</td>
|
||
<td>~47 GB</td>
|
||
</tr>
|
||
<tr>
|
||
<td>ptr_hash</td>
|
||
<td>2.4</td>
|
||
<td>~31 GB</td>
|
||
</tr>
|
||
<tr>
|
||
<td>FMPHGO</td>
|
||
<td>2.1</td>
|
||
<td>~27 GB</td>
|
||
</tr>
|
||
</tbody>
|
||
</table>
|
||
<p>For a human genome at 30× coverage with 1 024 partitions, realistic partition sizes are 3–30 M unique kmers → 1–8 MB per phase-2 MPHF, well within RAM.</p>
|
||
<h2 id="on-disk-and-mmap-considerations">On-disk and mmap considerations</h2>
|
||
<p>All three are in-memory structures. Their internal representation is flat bit arrays (no heap pointers), making them serialisable as contiguous byte blobs and mmappable per partition. True zero-copy access would require rkyv integration; the <code>ph</code> crate currently uses serde, so loading involves a copy. Given per-partition MPHF sizes of 1–8 MB, the OS page cache handles this transparently — strict zero-copy is a refinement, not a blocker.</p>
|
||
<p>No established Rust crate provides a natively on-disk MPHF. <strong>SSHash</strong> (Sparse and Skew Hash) is a complete kmer dictionary designed for disk access and is order-preserving (overlapping kmers receive consecutive indices → cache-friendly count access), but it is C++-only and covers more than just the MPHF layer.</p>
|
||
<h2 id="open-questions">Open questions</h2>
|
||
<ul>
|
||
<li>Confirm actual partition sizes and overestimation factor on representative metagenomic datasets.</li>
|
||
<li>Revisit ptr_hash for phase 2 once the crate has broader production track record.</li>
|
||
<li>Assess rkyv integration cost for FMPHGO if true zero-copy mmap becomes necessary for the persistent index.</li>
|
||
<li>Keep SSHash in mind if the indexing architecture is reconsidered at a higher level.</li>
|
||
</ul>
|
||
|
||
|
||
|
||
|
||
|
||
|
||
|
||
|
||
|
||
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