haystackfm 0.3.0

GPU-accelerated FM-index construction for DNA sequences via WebGPU
Documentation
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use crate::alphabet::ALPHABET_SIZE;
use crate::error::FmIndexError;
use crate::fm_index::bidir_index::BidirFmIndex;
use crate::gpu::GpuContext;
use wgpu;

const MEM_FIND_SHADER: &str = include_str!("../../shaders/mem_find.wgsl");

pub(crate) const MODE_SMEM: u32 = 0;
pub(crate) const MODE_MEM: u32 = 1;

/// Raw MEM interval as emitted by the GPU finder: query span + forward SA interval.
#[derive(Debug, Clone, Copy, PartialEq, Eq)]
pub struct RawMemInterval {
    pub query_start: u32,
    pub query_end: u32,
    pub fwd_lo: u32,
    pub fwd_hi: u32,
}

// 40 × u32 = 160 bytes (multiple of 16 — satisfies WGSL uniform alignment).
#[repr(C)]
#[derive(Copy, Clone, bytemuck::Pod, bytemuck::Zeroable)]
struct MemFindParams {
    n_queries: u32,
    min_len: u32,
    fwd_text_len: u32,
    rev_text_len: u32,
    fwd_num_blocks: u32,
    rev_num_blocks: u32,
    mode: u32,
    total_mems: u32,
    fwd_c: [u32; 16],
    rev_c: [u32; 16],
}

// ── Cached index buffers ──────────────────────────────────────────────────────

/// GPU buffers for the bidirectional MEM-find index (Occ checkpoints + bitvectors).
///
/// Build once per `BidirFmIndex` and reuse across query batches to avoid
/// re-uploading the same large index data on every call.
pub(crate) struct FindIndexBuffers {
    pub chk_buf: wgpu::Buffer,
    pub bv_buf: wgpu::Buffer,
    pub fwd_text_len: u32,
    pub rev_text_len: u32,
    pub fwd_num_blocks: u32,
    pub rev_num_blocks: u32,
    pub fwd_c: [u32; 16],
    pub rev_c: [u32; 16],
}

impl FindIndexBuffers {
    /// Upload fwd + rev Occ checkpoints and bitvectors to the GPU.
    pub fn new(ctx: &GpuContext, bidir: &BidirFmIndex) -> Self {
        let block_size: u32 = 64;
        let alpha = ALPHABET_SIZE as u32;
        let fwd_text_len = bidir.fwd.text_len;
        let rev_text_len = bidir.rev.text_len;
        let fwd_num_blocks = fwd_text_len.div_ceil(block_size);
        let rev_num_blocks = rev_text_len.div_ceil(block_size);
        let fwd_c: [u32; 16] = bidir.fwd.c_array.data;
        let rev_c: [u32; 16] = bidir.rev.c_array.data;

        let mut all_checkpoints: Vec<u32> =
            Vec::with_capacity(((fwd_num_blocks + rev_num_blocks) * alpha) as usize);
        for block in bidir.fwd.occ.flat_block_checkpoints() {
            all_checkpoints.extend_from_slice(&block);
        }
        for block in bidir.rev.occ.flat_block_checkpoints() {
            all_checkpoints.extend_from_slice(&block);
        }

        let mut all_bitvectors: Vec<u32> =
            Vec::with_capacity(((fwd_num_blocks + rev_num_blocks) * alpha * 2) as usize);
        for block in &bidir.fwd.occ.bitvectors_full16() {
            for &bv64 in block.iter() {
                all_bitvectors.push(bv64 as u32);
                all_bitvectors.push((bv64 >> 32) as u32);
            }
        }
        for block in &bidir.rev.occ.bitvectors_full16() {
            for &bv64 in block.iter() {
                all_bitvectors.push(bv64 as u32);
                all_bitvectors.push((bv64 >> 32) as u32);
            }
        }

        let chk_buf = ctx.create_buffer_init("mem_chk", &all_checkpoints);
        let bv_buf = ctx.create_buffer_init("mem_bv", &all_bitvectors);
        Self {
            chk_buf,
            bv_buf,
            fwd_text_len,
            rev_text_len,
            fwd_num_blocks,
            rev_num_blocks,
            fwd_c,
            rev_c,
        }
    }
}

// ── Two-pass MEM-find dispatch ────────────────────────────────────────────────

/// Run the two-pass MEM-find using pre-uploaded index buffers.
///
/// Only allocates per-batch query/output buffers; the heavy index buffers in
/// `idx` are reused without re-upload across batches.
///
/// Returns `None` when no MEMs were found.
/// Otherwise returns `(mems_flat, iv_flat, mem_counts, mem_offsets)`.
pub(crate) async fn run_mem_find_batch(
    ctx: &GpuContext,
    idx: &FindIndexBuffers,
    queries: &[&[u8]],
    min_len: usize,
    mode: u32,
) -> Result<Option<(Vec<u32>, Vec<u32>, Vec<u32>, Vec<u32>)>, FmIndexError> {
    if queries.is_empty() {
        return Ok(None);
    }

    let n_queries = queries.len() as u32;

    // Encode queries flat + per-query offsets.
    let mut queries_flat: Vec<u32> = Vec::new();
    let mut query_offsets: Vec<u32> = Vec::with_capacity(queries.len() + 1);
    query_offsets.push(0);
    for &q in queries {
        for &b in q {
            queries_flat.push(b as u32);
        }
        query_offsets.push(queries_flat.len() as u32);
    }
    if queries_flat.is_empty() {
        queries_flat.push(0); // wgpu requires non-zero-size buffers
    }

    let qflat_buf = ctx.create_buffer_init("mem_qflat", &queries_flat);
    let qoff_buf = ctx.create_buffer_init("mem_qoff", &query_offsets);

    // pass_buf_a: pass 1 writes [mem_count, iv_count] per query (stride 2)
    let pass_buf_a = ctx.create_buffer_empty("mem_pass_a", n_queries * 2);
    // dummy bindings 5 and 6 for pass 1 (output buffers not written in count pass)
    let dummy_buf = ctx.create_buffer_empty("mem_dummy", 1);
    let dummy_buf2 = ctx.create_buffer_empty("mem_dummy2", 1);

    // ── Pass 1: count MEMs per query ─────────────────────────────────────────
    let count_params = MemFindParams {
        n_queries,
        min_len: min_len as u32,
        fwd_text_len: idx.fwd_text_len,
        rev_text_len: idx.rev_text_len,
        fwd_num_blocks: idx.fwd_num_blocks,
        rev_num_blocks: idx.rev_num_blocks,
        mode,
        total_mems: 0,
        fwd_c: idx.fwd_c,
        rev_c: idx.rev_c,
    };
    let count_params_buf = ctx.create_uniform_buffer("mem_count_params", &count_params);

    let count_pipeline = ctx.create_compute_pipeline("mem_count", MEM_FIND_SHADER, "count_mems");
    let count_bg = ctx.create_bind_group(
        &count_pipeline,
        0,
        &[
            wgpu::BindGroupEntry {
                binding: 0,
                resource: qflat_buf.as_entire_binding(),
            },
            wgpu::BindGroupEntry {
                binding: 1,
                resource: qoff_buf.as_entire_binding(),
            },
            wgpu::BindGroupEntry {
                binding: 2,
                resource: idx.chk_buf.as_entire_binding(),
            },
            wgpu::BindGroupEntry {
                binding: 3,
                resource: idx.bv_buf.as_entire_binding(),
            },
            wgpu::BindGroupEntry {
                binding: 4,
                resource: pass_buf_a.as_entire_binding(),
            },
            wgpu::BindGroupEntry {
                binding: 5,
                resource: dummy_buf.as_entire_binding(),
            },
            wgpu::BindGroupEntry {
                binding: 6,
                resource: dummy_buf2.as_entire_binding(),
            },
            wgpu::BindGroupEntry {
                binding: 7,
                resource: count_params_buf.as_entire_binding(),
            },
        ],
    );

    let wg_size: u32 = 64;
    ctx.dispatch(
        &count_pipeline,
        &count_bg,
        (n_queries.div_ceil(wg_size), 1, 1),
    );

    // Download stride-2 pass1 data: [mem_count, iv_count] per query.
    let pass_data = ctx.download_buffer(&pass_buf_a, n_queries * 2).await;
    let mem_counts: Vec<u32> = (0..n_queries as usize).map(|q| pass_data[q * 2]).collect();
    let iv_counts: Vec<u32> = (0..n_queries as usize)
        .map(|q| pass_data[q * 2 + 1])
        .collect();

    let total_mems: u32 = mem_counts.iter().sum();
    if total_mems == 0 {
        return Ok(None);
    }

    // Exclusive prefix sums for MEM and interval offsets.
    let mut mem_offsets: Vec<u32> = Vec::with_capacity(queries.len() + 1);
    mem_offsets.push(0);
    for &c in &mem_counts {
        let prev = *mem_offsets.last().unwrap();
        mem_offsets.push(prev + c);
    }
    let total_ivs: u32 = iv_counts.iter().sum();
    let mut iv_offsets: Vec<u32> = Vec::with_capacity(queries.len() + 1);
    iv_offsets.push(0);
    for &c in &iv_counts {
        let prev = *iv_offsets.last().unwrap();
        iv_offsets.push(prev + c);
    }

    // Interleave [mem_offset, iv_offset] per query for pass 2.
    let mut offsets_data: Vec<u32> = Vec::with_capacity(n_queries as usize * 2);
    for q in 0..n_queries as usize {
        offsets_data.push(mem_offsets[q]);
        offsets_data.push(iv_offsets[q]);
    }

    // ── Pass 2: write MEM results ─────────────────────────────────────────────
    let offsets_buf = ctx.create_buffer_init("mem_offsets", &offsets_data);
    let mems_out_buf = ctx.create_buffer_empty("mem_results", total_mems * 4);
    let iv_out_buf = ctx.create_buffer_empty("mem_ivs", total_ivs.max(1) * 2);

    let write_params = MemFindParams {
        total_mems,
        ..count_params
    };
    let write_params_buf = ctx.create_uniform_buffer("mem_write_params", &write_params);

    let write_pipeline = ctx.create_compute_pipeline("mem_write", MEM_FIND_SHADER, "write_mems");
    let write_bg = ctx.create_bind_group(
        &write_pipeline,
        0,
        &[
            wgpu::BindGroupEntry {
                binding: 0,
                resource: qflat_buf.as_entire_binding(),
            },
            wgpu::BindGroupEntry {
                binding: 1,
                resource: qoff_buf.as_entire_binding(),
            },
            wgpu::BindGroupEntry {
                binding: 2,
                resource: idx.chk_buf.as_entire_binding(),
            },
            wgpu::BindGroupEntry {
                binding: 3,
                resource: idx.bv_buf.as_entire_binding(),
            },
            wgpu::BindGroupEntry {
                binding: 4,
                resource: offsets_buf.as_entire_binding(),
            },
            wgpu::BindGroupEntry {
                binding: 5,
                resource: mems_out_buf.as_entire_binding(),
            },
            wgpu::BindGroupEntry {
                binding: 6,
                resource: iv_out_buf.as_entire_binding(),
            },
            wgpu::BindGroupEntry {
                binding: 7,
                resource: write_params_buf.as_entire_binding(),
            },
        ],
    );

    ctx.dispatch(
        &write_pipeline,
        &write_bg,
        (n_queries.div_ceil(wg_size), 1, 1),
    );

    let results_flat = ctx.download_buffer(&mems_out_buf, total_mems * 4).await;
    let iv_flat = ctx.download_buffer(&iv_out_buf, total_ivs.max(1) * 2).await;
    Ok(Some((results_flat, iv_flat, mem_counts, mem_offsets)))
}

/// Private core: runs the two GPU MEM-finding passes (thin wrapper).
///
/// Builds `FindIndexBuffers` from `bidir` and delegates to `run_mem_find_batch`.
/// Existing callers (`find_mems_batch_gpu`, etc.) use this path unchanged.
async fn run_mem_find_gpu(
    ctx: &GpuContext,
    bidir: &BidirFmIndex,
    queries: &[&[u8]],
    min_len: usize,
    mode: u32,
) -> Result<Option<(Vec<u32>, Vec<u32>, Vec<u32>, Vec<u32>)>, FmIndexError> {
    if queries.is_empty() {
        return Ok(None);
    }
    let idx = FindIndexBuffers::new(ctx, bidir);
    run_mem_find_batch(ctx, &idx, queries, min_len, mode).await
}

/// GPU-accelerated batch MEM/SMEM finding (count + span only).
///
/// Runs the two-pass `mem_find.wgsl` pipeline with IUPAC multi-interval
/// bidirectional extension:
///
/// - **Pass 1** (`count_mems`): counts MEMs and total SA intervals per query.
/// - **Pass 2** (`write_mems`): writes MEM spans and per-MEM interval lists.
///
/// `mode` selects SMEM (`MODE_SMEM=0`) or MEM (`MODE_MEM=1`) behaviour.
///
/// Returns one `Vec<(query_start, query_end, match_count)>` per query.
/// `match_count` is the sum of forward SA interval sizes across all IUPAC branches.
pub async fn find_mems_batch_gpu(
    ctx: &GpuContext,
    bidir: &BidirFmIndex,
    queries: &[&[u8]],
    min_len: usize,
    mode: u32,
) -> Result<Vec<Vec<(u32, u32, u32)>>, FmIndexError> {
    let n = queries.len();
    let Some((flat, iv_flat, counts, offsets)) =
        run_mem_find_gpu(ctx, bidir, queries, min_len, mode).await?
    else {
        return Ok(vec![vec![]; n]);
    };
    let mut output: Vec<Vec<(u32, u32, u32)>> = vec![vec![]; n];
    for (q, &count) in counts.iter().enumerate() {
        let off = offsets[q] as usize;
        let mut hits = Vec::with_capacity(count as usize);
        for k in 0..count as usize {
            let base = (off + k) * 4;
            // slot: [qs, qe, iv_offset, n_ivs]
            let iv_off = flat[base + 2] as usize;
            let n_ivs = flat[base + 3] as usize;
            let match_count: u32 = (0..n_ivs)
                .map(|i| iv_flat[(iv_off + i) * 2 + 1] - iv_flat[(iv_off + i) * 2])
                .sum();
            hits.push((flat[base], flat[base + 1], match_count));
        }
        output[q] = hits;
    }
    Ok(output)
}

/// Returns raw SA intervals per MEM — used by the 3-pass GPU position-resolve pipeline
/// (`mem_resolve.wgsl` → `ref_map.wgsl`). Each `RawMemInterval` carries the query span
/// and the forward SA interval `[fwd_lo, fwd_hi)`; callers resolve positions from it.
#[allow(dead_code)] // per-call variant; resident path is used instead. kept for reference/reuse.
pub(crate) async fn find_mem_intervals_batch_gpu(
    ctx: &GpuContext,
    bidir: &BidirFmIndex,
    queries: &[&[u8]],
    min_len: usize,
    mode: u32,
) -> Result<Vec<Vec<RawMemInterval>>, FmIndexError> {
    let n = queries.len();
    let Some((flat, iv_flat, counts, offsets)) =
        run_mem_find_gpu(ctx, bidir, queries, min_len, mode).await?
    else {
        return Ok(vec![vec![]; n]);
    };
    let mut output: Vec<Vec<RawMemInterval>> = vec![vec![]; n];
    for (q, &count) in counts.iter().enumerate() {
        let off = offsets[q] as usize;
        let mut hits = Vec::new();
        for k in 0..count as usize {
            let base = (off + k) * 4;
            let qs = flat[base];
            let qe = flat[base + 1];
            let iv_off = flat[base + 2] as usize;
            let n_ivs = flat[base + 3] as usize;
            for i in 0..n_ivs {
                hits.push(RawMemInterval {
                    query_start: qs,
                    query_end: qe,
                    fwd_lo: iv_flat[(iv_off + i) * 2],
                    fwd_hi: iv_flat[(iv_off + i) * 2 + 1],
                });
            }
        }
        output[q] = hits;
    }
    Ok(output)
}

/// Like `find_mem_intervals_batch_gpu` but reuses pre-uploaded index buffers.
///
/// Use inside a batched loop where `FindIndexBuffers` is built once and shared
/// across query chunks to avoid re-uploading checkpoints/bitvectors.
pub(crate) async fn find_mem_intervals_for_batch(
    ctx: &GpuContext,
    idx: &FindIndexBuffers,
    queries: &[&[u8]],
    min_len: usize,
    mode: u32,
) -> Result<Vec<Vec<RawMemInterval>>, FmIndexError> {
    let n = queries.len();
    let Some((flat, iv_flat, counts, offsets)) =
        run_mem_find_batch(ctx, idx, queries, min_len, mode).await?
    else {
        return Ok(vec![vec![]; n]);
    };
    let mut output: Vec<Vec<RawMemInterval>> = vec![vec![]; n];
    for (q, &count) in counts.iter().enumerate() {
        let off = offsets[q] as usize;
        let mut hits = Vec::new();
        for k in 0..count as usize {
            let base = (off + k) * 4;
            let qs = flat[base];
            let qe = flat[base + 1];
            let iv_off = flat[base + 2] as usize;
            let n_ivs = flat[base + 3] as usize;
            for i in 0..n_ivs {
                hits.push(RawMemInterval {
                    query_start: qs,
                    query_end: qe,
                    fwd_lo: iv_flat[(iv_off + i) * 2],
                    fwd_hi: iv_flat[(iv_off + i) * 2 + 1],
                });
            }
        }
        output[q] = hits;
    }
    Ok(output)
}

/// GPU batch SMEM finding. Returns `(query_start, query_end, match_count)` per MEM.
pub async fn find_smems_batch_gpu(
    ctx: &GpuContext,
    bidir: &BidirFmIndex,
    queries: &[&[u8]],
    min_len: usize,
) -> Result<Vec<Vec<(u32, u32, u32)>>, FmIndexError> {
    find_mems_batch_gpu(ctx, bidir, queries, min_len, MODE_SMEM).await
}

/// GPU batch MEM finding (all maximal matches). Returns `(query_start, query_end, match_count)`.
pub async fn find_all_mems_batch_gpu(
    ctx: &GpuContext,
    bidir: &BidirFmIndex,
    queries: &[&[u8]],
    min_len: usize,
) -> Result<Vec<Vec<(u32, u32, u32)>>, FmIndexError> {
    find_mems_batch_gpu(ctx, bidir, queries, min_len, MODE_MEM).await
}