Push zpwxxpnpktps #67

2026-08-17T09:41:29Z

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2026-08-17 09:41:29 +00:00

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coissac added 46 commits 2026-08-17 09:41:29 +00:00

feat: add Sankoff parsimony model and directory locking 55d7fa2067

Implements a calibrated 16-state Sankoff substitution cost matrix and CLI pipeline for evolutionary distance computation, including empirical calibration via saturation-filtered SNP counts. Refactors the sibling scanning stage to use batched transforms for improved synchronization efficiency. Introduces an OS-level advisory directory lock across all index-modifying commands to prevent concurrent write corruption. Updates dependencies and exposes new Sankoff utilities in the public API.

feat(distance): implement native Sankoff calibration and backends adf5b52dc7

Replaces external Python glue with native Rust modules for Sankoff model calibration, exporting calibrated cost matrices, FASTA alignments, and YAML parameters. Adds dedicated writers for TNT and PhyG that apply integer scaling and Floyd-Warshall metric closure to enforce triangle inequality. Integrates these exporters into the distance command pipeline to streamline downstream tree inference workflows, while updating theory documentation to reflect IQ-TREE integration and state renumbering improvements.

feat(distance): add IQ-TREE output and optimize state index mapping 28d841c7be

Introduce `--iqtree` and `--raw-snp-counts` flags to generate IQ-TREE model files, recoded FASTA alignments, and per-pair diagnostic counts. Centralize alphabet conversion by extracting a precomputed state index lookup table into the Sankoff module, eliminating redundant iterations across downstream adapters.

Add repeatable --exclude-genome flag to obikmer distance command c26623fa00

Integrate in-memory row/column zeroing and alignment filtering across SNP, Sankoff, TNT, and IQ-TREE output paths. Add strict validation for missing labels, implement `write_iqtree` with empirical stationary frequencies, and introduce `--raw-snp-counts` diagnostic CSV output. Update documentation to reflect experimental validation of backbone resolution limits and theoretical considerations for CTMC rate matrices.

Replace Sankoff cost matrix with cardinality-composition decomposition 0c86ea0385

Replaced the legacy Sankoff parsimony pipeline with a new cardinality-composition decomposition that constructs row-normalized transition probability matrices symmetrized via geometric mean. This ensures reversibility, reduces free parameters from 240 to 120, and guarantees a zero diagonal. Tallies are now explicitly restricted to variable families to align with +ASC-corrected alignment populations. Additionally, fixed `--exclude-genome` handling to re-scan surviving sequences and drop newly monomorphic columns, preventing silent data corruption in downstream tree inference tools.

docs: add obikmer user guide and MkDocs build configuration 6acafa7f2c

Introduces a comprehensive documentation set covering theoretical foundations, CLI usage, installation, and system architecture. Adds MkDocs configuration and Makefile targets to generate, serve with live reload, and clean the documentation site. Includes citation styles and bibliography files for academic references.

refactor(cmd): restructure modules and decompose query command 8967a20ed7

Convert single-file modules to directory-based layouts across the cmd crate. Decompose the monolithic query command into dedicated submodules for batching, chunk processing, sparse finding, and output formatting. Introduce a new utils module to handle index management operations including statistics reporting, label renaming, and partition analysis.

feat: centralize genome metadata predicates in obikindex cc67023e2c

Introduces a new predicate module in obikindex that implements genome metadata predicate parsing, evaluation, and group classification using three-valued logic. Extends the IndexMeta API with methods for single-predicate filtering and group quorum filtering. Updates obikmer command modules to delegate filter construction and matching to the centralized index API, removing local definitions and simplifying call sites.

Add modular data structures, parallel pipelines, and system profiling 79346c0c86

Establishes foundational infrastructure across multiple crates by introducing unified persistent bit matrix storage with columnar, packed, and implicit variants, alongside De Bruijn graph node encoding and unitig iteration logic. Adds a macro-driven parallel pipeline scheduler featuring NUMA-aware runners, bounded channels, and memory budgets to enforce concurrency limits. Implements streaming nucleotide parsers with pooled page buffers for FASTA, FASTQ, and Genbank formats, complemented by system resource monitoring, progress tracking, and stage profiling utilities. Collectively, these changes provide the core data models, execution frameworks, and I/O pipelines required for downstream k-mer indexing and analysis workloads.

rename distance subcommand to phylo dd889854cb

Rename the distance CLI subcommand to phylo across the codebase, documentation, and build configurations. Relocate source files from cmd/distance/ to a dedicated cmd/phylo/ module, update all internal routing references, and adjust benchmark scripts and Makefile targets to reflect the new command name.

fix: respect --force flag during index and partition creation e2b9374426

The index creation routine now uses the CLI `--force` argument instead of a hardcoded false value, enabling explicit overwrite control. Partition existence checks also verify for the designated subdirectory rather than the root path, ensuring conflict detection and cleanup only trigger when an actual partition layout exists.

Add phylogenetic CLI options for family overlap and missing data 8615da59a8

Introduces CLI flags for computing pairwise family overlap matrices and filtering genomes below a shared family threshold. Adds a free-loss mode that recodes locus non-detection states to missing data symbols in Sankoff-calibrated alignments, resolving ascertainment bias handling for IQ-TREE. Updates empirical transition parameters, removes the legacy model asset, and extends output writers for CSV diagnostics, FASTA pseudo-alignments, and Newick trees.

add name-tree command and fix --free-loss cost matrix eee71430a4

Introduce the obikmer name-tree subcommand to map numeric leaf labels in phylogenetic tree exports back to taxon names using a reference FASTA file. Correct the --free-loss flag behavior by removing cardinality transition costs from pairwise cost calculations, ensuring sibling gains and losses are priced identically to whole-family events. Update documentation, configuration parameters, and add reference phylogenetic data files.

refactor: centralize index setup logic and add progress bar ETA d54ae272a4

Extracts directory cleanup, partition initialization, and finalization into dedicated helper methods within KmerIndex. This centralizes force-flag handling and reduces boilerplate across merge, rebuild, and select workflows. Additionally updates the CLI progress bar template to display an ETA indicator following elapsed time.

docs: clarify phylogenetic output files and tool usage 3da501349b

Restructure the output files section into categorized subsections with tables. Add explicit mappings between command-line options and generated files. Define CSV matrix conventions, clarify mathematical formulas for distance calculations, and document execution commands for external phylogenetic tools.

refactor: extract sibling family scanning into shared module cd57cf0cbd

Introduces a dedicated `family_scan` submodule to consolidate per-layer family traversal logic. Centralizes path validation, minorant filtering, and conditional matrix instantiation into a shared `scan_layer_families` function. Updates sibling-annex consumers to leverage the new abstraction, reducing inline scanning code. Adds a test fixture to verify numerical consistency across consumer methods for co-occurrence and base-pair metrics.

Switch sibling modules to sequential layer directory processing 0e2e3b5bae

The sibling calculation modules now process layer directories sequentially instead of in parallel. This eliminates concurrent processing overhead and prevents interleaved cache sweeps, improving disk I/O and page-cache locality for partition-grouped data access. Progress bar updates and result accumulation have been adapted to the sequential control flow, while core filtering logic and output structures remain unchanged.

refactor: replace eager family collection with callback processing c7679fac90

Refactor `scan_layer_families` across the siblings module to accept a closure callback instead of returning an intermediate collection. This eliminates eager materialization and per-layer buffering by streaming results directly into genome-specific buffers or tally matrices. The update introduces bounded batch processing and scratch buffer reuse to cap peak auxiliary memory, while preserving existing computational behavior, control flow, and error semantics.

Store minorant flag in family mask to avoid costly k-mer reconstruction 0de078fdf1

Transition the minorant flag from a derived value to a stored field within the family mask, resolving a performance regression where on-the-fly reconstruction consumed significant query time. This change introduces O(1) k-mer reconstruction APIs, shifts minorant computation to the index build phase, and enables direct annex-based statistics. Supporting updates include adopting shared ownership for partition caches and refactoring batch processing pipelines.

Add raw lookup and iteration APIs to Layer struct dae543fdfc

Introduces `index` and `index_batch` methods for direct MPHF slot mapping without membership validation, alongside four public iterator methods for deterministic traversal of canonical kmers. These are backed by dedicated `KmerIter` and `KmerBatchIter` structs that wrap the underlying unitig file reader. Updates `LayerEvidence::Approx` to eagerly open the unitig reader during initialization, enforcing a clear separation between raw mapping and verified lookup workflows.

Add cache-optimized batch retrieval and sub-matrix methods b1f54b7d2f

Introduces batch retrieval and sub-matrix extraction methods across vector, view, reader, and matrix types. These implementations optimize cache locality by sorting requested indices for sequential memory access before applying an inverse permutation to restore original order. Includes allocation-free variants that populate caller-provided buffers. Updates architecture documentation to define sibling annex persistence in iteration order and clarify pipeline separation.

Replace slot-based indexing with iteration order and stream k-mers 519195d4a1

Transitions the index from MPHF slot-based to physical iteration-order indexing, aligning with the unitig layout. Introduces a streaming-only pipeline for k-mer iteration that adheres to memory constraints by avoiding full in-memory collections. Updates layer and sibling iterators to own an Arc clone of the file reader, making them Send + 'static and safe for concurrent use without borrowing the parent. Exposes batch and k-mer iterator types publicly while simplifying signature syntax with modern lifetime elision.

Extract phylogenetic sibling logic into new obikphylo crate 5997de6707

Relocate the `siblings` and `cardcomp` modules from `obikindex` to a dedicated `obikphylo` workspace member. Convert inherent methods on `KmerIndex` into extension traits, update import paths across `obikmer`, and add supporting accessor methods to `obikseq` and `obilayeredmap`. This restructuring reduces the public API surface of `obikindex` while organizing phylogenetic iteration, caching, and distance calculation logic under a dedicated crate.

feat(progress): implement configurable ETA throttling d2548e8c33

Introduces timing constants and atomic fields to control ETA calculation intervals. Replaces the static template placeholder with dynamic messages, delegating formatting to a new helper that applies throttling thresholds and suppresses automatic updates during custom message hold periods.

Fix batch enumeration offsets and refactor sibling annex construction 32d6720f50

Shifts sibling annex construction from slot-indexed enumeration to iteration-order traversal by correcting cumulative k-mer offset tracking in batch enumeration. Replaces coarse per-partition parallelism with chunked work distribution to prevent thread starvation on skewed partitions. Decouples custom progress messages from ETA updates to eliminate display clobbering during high-frequency callbacks. Adds regression tests validating batch offset correctness, partial batch handling, and iterator-order consistency across layer builds.

Add execution timing and parallelize sibling stats c990087ef3

Instruments the phylo command pipeline with structured execution timing, wrapping major computational blocks with stage hooks and printing aggregated metrics upon completion. Additionally, parallelizes sibling counting logic using Rayon to process independent layer directories concurrently, preserving identical functionality and public API contracts.

Move sibling annex implementation to obikphylo siblings module fecfe84ea6

Relocates `SiblingAnnex`, `FamilyMask`, and `SiblingAnnexBuilder` from `obicompactvec` to the local `obikphylo::siblings` module. Replaces the previous implementation with a memory-mapped version using `memmap2`, featuring a 2-byte-per-slot layout, explicit bitfield manipulation, and support for concurrent atomic writes. Updates all sibling module imports to local paths and adds the `memmap2` dependency to `obikphylo`.

Refactor sibling annex to use mmap-backed concurrent storage 0ce934b111

Shift the sibling annex construction pipeline from an in-memory atomic mask to a memory-mapped file backend. This enables lock-free concurrent writes directly into the mapped region, streamlining the two-phase write process to accumulate bits atomically before finalization. Adjusted the cache lookup to return the specific matching layer index rather than a boolean flag, and added tests to verify correct layer tracking and cross-partition resolution in merged indexes.

introduce fast mode for optimized sibling presence checks 693c18bfa7

Centralize the layer count validation into PartitionCache and track it via a new fast_mode flag. Extend query tuples to include a pre-resolved destination layer index, enabling a fast-path batch lookup that bypasses per-layer probing when enabled. Refactor neighbor iteration and hit resolution to eliminate duplication and conditionally dispatch to the optimized path based on the cache state.

perf: add #[inline] attributes to obicompactvec methods 151493526c

Adds compiler inlining hints to accessors, iterators, bitwise operations, and distance functions across multiple modules. This optimization aims to reduce call overhead for frequently invoked methods without modifying runtime behavior, API contracts, or data models.

Document architecture redesign and add partition layer accessor f5e4bbfc6b

Documents a proposed redesign for cross-partition batch resolution, shifting trigger logic to per-destination accumulator thresholds and introducing entropy-based pruning criteria. Adds an `n_layers_per_partition` method to the index, exposing partition metadata with consistent error handling and clarified documentation regarding build-time structural properties.

Add proportional subsampling and Shannon entropy calculation 45b19503a1

Introduces `--subsample N` and `--shannon` CLI flags to cap retained variable families via proportional reservoir sampling and compute per-family Shannon entropy. Updates the family scanning API to support explicit selection filtering with early-exit optimization, resolving an indexing drift issue in monomorphic layers. Streams entropy metrics for 15-state and 4-nucleotide spaces directly to CSV while maintaining parallel processing across sibling layers.

feat(obicompactvec): introduce sparse bit matrix with supporting primitives 50f4820cb9

Implements a compact, row-major sparse bit matrix backed by memory-mapped components, introducing EliasFano, PersistentFixedIntVec, and PersistentRankSelectBitVec primitives for efficient storage and decoding. Adds a BinaryMatrix trait to unify row-level operations across dense and sparse implementations. Corrects edge-case behaviors for zero-width bit storage and cardinality-0 rows. Delivers reduced on-disk size and faster random row access, with column reads remaining dense-only. Test suites and benchmarks are included but currently marked as ignored.

feat: add sparse on-disk format for presence matrices 3ba26b3dc1

The index packing API now accepts a `sparse` parameter to generate `PersistentSparseBitMatrix` files alongside existing dense matrices. The sibling cache automatically detects this format via an `is_multi.prsb` marker file and routes queries identically to the dense variant. A new `--sparse` CLI flag exposes the option, with tests verifying end-to-end pipeline correctness and storage equivalence.

refactor: format tnt script generation and add tree export commands 53c40b7a53

Reworks `writeln!` macro invocations to multi-line syntax and adjusts whitespace for improved readability. Additionally, appends four commands to the generated phylogenetic script to explicitly export trees and manage taxon naming at runtime.

docs: document architecture analysis and refactoring plans for siblings 49e66f16a2

Documents architectural analysis, identified performance bottlenecks including hardcoded selection flags and redundant full-index scans causing I/O-bound stalls. Details planned pipeline refactoring to unify stages around a single shared selection for a fused single-pass scan, noting future dependencies on entropy-biased family selection.

large refactoring 7bac0f3850

perf: optimize entropy computation by pre-filtering monomorphic minorants c6cfdac043

Shift monomorphism filtering from the entropy scan layer to a lightweight, annex-only pre-pass. By replacing `Selection::All` with a pre-filtered subset, expensive per-genome resolution is strictly limited to non-monomorphic families. This avoids processing ~98% of minorants that are known to be monomorphic, while preserving positional read speedups for subsequent runs. The change is an internal performance refinement with no public API modifications.

feat: introduce _iqtree_states.csv for compact symbol mapping 9654201885

Generates a new CSV output that maps IQ-TREE's compact state symbols to canonical states alongside full-precision empirical frequencies. Updates documentation to clarify that state frequencies sum to 1.0 by design and documents conditional behavior under `--free-loss`. Includes unit tests verifying absent state exclusion, frequency summation, and CSV structure. Also restricts entropy annex resolution to non-monomorphic minorants to eliminate redundant per-genome checks.

fix: prevent probability underflow in pairwise cost matrix c8f2b16b4c

Replaces premature exponentiation-based row normalization with log-sum-exp arithmetic to prevent tiny probabilities from collapsing to exactly zero. This eliminates spurious infinite costs for valid but rare transitions while preserving correct IEEE 754 semantics for genuinely unobserved pairs. Adds explicit guards against NaN in degenerate rows and includes a regression test verifying finite costs for probabilities as low as 1e-200.

feat(phylo): add --iqtree-min-freq to filter rare nucleotide states 128db64564

Introduces --iqtree-min-freq (default 0.001) to treat low-frequency nucleotide states as missing data during IQ-TREE alignment generation when --free-loss is active. This triggers a recoding pass that folds rare states into the missing symbol, followed by non-informative site removal and alphabet recomputation to maintain output consistency. The change also adds Sankoff model configuration files and updates related tests and documentation.

Introduce compare_sparse CLI tool to verify index consistency 1f9c6388eb

Adds a new binary that validates bit-level consistency between dense and sparse K-mer index representations by sampling slots across partitions and reporting discrepancies. Refactors sibling cache matrix initialization into a centralized factory method to simplify control flow and standardize error handling. Introduces diagnostic configurations, benchmark scripts, and an ignored test case to support k-mer resolution analysis.

style: reformat iqtree module for line-length compliance dbb969f087

Apply consistent multi-line formatting to iterator chains, struct initializations, function signatures, and CLI string literals. Convert sequence vector declarations to single-line format while expanding assertions and variable initializations across multiple lines. Reorder imports in the sankoff module and align test fixtures with updated line-length constraints. This change is purely syntactic with no functional or behavioral impact.

Add sparse bit matrix support and enhance dimension logging 11476bc557

Introduce a `Sparse` variant for `PersistentBitMatrix` with full method dispatch and implementations of `ColumnWeights` and `BitPartials` traits. Refactor distance matrix computations in layered stores to eagerly collect results before reduction, enabling reliable dimension tracking. Add comprehensive debug logging across phylo commands and distance modules to report matrix shapes and flag out-of-bounds indices during CSV iteration.

Add diagnostic logging and minor internal refactoring 70b0527957

Introduce runtime dimension tracking, matrix shape validation, and per-layer diagnostics across multiple modules to improve execution observability. Extract intermediate computation results into local variables, standardize collection patterns in partial methods, and replace naive iteration with optimized pairwise counting. All modifications are strictly additive or structural; public APIs, data models, and core logic remain unchanged.

Add TNT configuration directives and tree export commands to script

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6def18fa88

Updates the generated TNT script with configuration parameters and appends tree management commands for saving and exporting results. Modifications are strictly limited to string literals written to the output stream.

coissac merged commit f1f7940277 into main

2026-08-17 09:41:42 +00:00

coissac deleted branch push-zpwxxpnpktps

2026-08-17 09:41:42 +00:00

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Reference: OBIKmers/obikmer#67