semiflow 0.9.1-beta

no_std Rust PDE solver: evolution equations via Chernoff approximation of operator semigroups (heat, diffusion, Schrodinger)
Documentation
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//! Frozen sparse weighted graph (`Graph<F>`) and graph Laplacian (`Laplacian<F>`)
//! in hand-rolled CSR layout (ADR-0048, §1/§3).
//!
//! Invariants I1–I7 (Graph) and L1–L4 (Laplacian) are enforced at construction.
//! See `contracts/v2.1/wave-a-graph-foundations.md` for the full invariant set.

use alloc::{vec, vec::Vec};

use crate::{error::SemiflowError, float::SemiflowFloat};

/// Normalization convention for the assembled [`Laplacian`] (ADR-0048, Chung 1997 §1.2).
#[derive(Copy, Clone, Debug, PartialEq, Eq)]
pub enum LaplacianKind {
    /// Combinatorial: `L = D − W`.
    Combinatorial,
    /// Symmetric normalized: `L_sym = I − D^{−½} W D^{−½}`.
    SymNormalized,
}

/// Frozen sparse weighted graph in symmetric CSR layout. See ADR-0048.
///
/// **Immutable post-construction** — no mutator methods. Invariants I1–I7 hold.
pub struct Graph<F: SemiflowFloat = f64> {
    n_nodes: usize,
    row_ptr: Vec<usize>,
    col_idx: Vec<u32>,
    vals: Vec<F>,
}

impl<F: SemiflowFloat> Graph<F> {
    /// Number of nodes. O(1).
    #[must_use]
    pub fn n_nodes(&self) -> usize {
        self.n_nodes
    }

    /// Number of directed edge-entries stored (= `2 · undirected_edges`).
    #[must_use]
    pub fn n_directed_edges(&self) -> usize {
        self.col_idx.len()
    }

    /// Row-pointer slice. Length `n_nodes + 1`.
    #[must_use]
    pub fn row_ptr(&self) -> &[usize] {
        &self.row_ptr
    }

    /// Column-index slice (neighbour node ids).
    #[must_use]
    pub fn col_idx(&self) -> &[u32] {
        &self.col_idx
    }

    /// Edge-weight slice (same length as `col_idx`).
    #[must_use]
    pub fn vals(&self) -> &[F] {
        &self.vals
    }

    /// Assemble a CSR graph from an adjacency list; rows sorted ascending (I3).
    fn from_rows(n_nodes: usize, mut rows: Vec<Vec<(u32, F)>>) -> Self {
        for row in &mut rows {
            row.sort_unstable_by_key(|(c, _)| *c);
        }
        let total: usize = rows.iter().map(Vec::len).sum();
        let mut row_ptr = Vec::with_capacity(n_nodes + 1);
        let mut col_idx = Vec::with_capacity(total);
        let mut vals = Vec::with_capacity(total);
        let mut ptr = 0_usize;
        row_ptr.push(0);
        for row in &rows {
            for &(c, v) in row {
                col_idx.push(c);
                vals.push(v);
            }
            ptr += row.len();
            row_ptr.push(ptr);
        }
        Self {
            n_nodes,
            row_ptr,
            col_idx,
            vals,
        }
    }

    /// Path graph `0 — 1 — 2 — … — (n − 1)` with unit edge weights.
    ///
    /// # Panics
    /// Panics if `n == 0`.
    #[must_use]
    pub fn path(n: usize) -> Self {
        assert!(n > 0, "Graph::path requires n >= 1");
        let mut rows: Vec<Vec<(u32, F)>> = (0..n).map(|_| Vec::new()).collect();
        for i in 0..(n - 1) {
            #[allow(clippy::cast_possible_truncation)]
            let iu32 = i as u32;
            rows[i].push((iu32 + 1, F::one()));
            rows[i + 1].push((iu32, F::one()));
        }
        Self::from_rows(n, rows)
    }

    /// Cycle graph: path graph plus edge `(n − 1) — 0`, all unit weights.
    ///
    /// # Panics
    /// Panics if `n < 3` (cycle on 1 or 2 nodes is degenerate).
    #[must_use]
    pub fn cycle(n: usize) -> Self {
        assert!(n >= 3, "Graph::cycle requires n >= 3");
        let mut rows: Vec<Vec<(u32, F)>> = (0..n).map(|_| Vec::new()).collect();
        for i in 0..(n - 1) {
            #[allow(clippy::cast_possible_truncation)]
            let iu32 = i as u32;
            rows[i].push((iu32 + 1, F::one()));
            rows[i + 1].push((iu32, F::one()));
        }
        #[allow(clippy::cast_possible_truncation)] // wrap-around edge
        let n_minus_1 = (n - 1) as u32;
        rows[n - 1].push((0_u32, F::one()));
        rows[0].push((n_minus_1, F::one()));
        Self::from_rows(n, rows)
    }

    /// Build from an iterator of undirected edges `(u, v, w)`.
    ///
    /// # Errors
    /// [`SemiflowError::DomainViolation`]: self-loop, node out of range, bad weight,
    /// or duplicate edge.
    pub fn from_edges(
        n_nodes: usize,
        edges: impl IntoIterator<Item = (u32, u32, F)>,
    ) -> Result<Self, SemiflowError> {
        let mut rows: Vec<Vec<(u32, F)>> = (0..n_nodes).map(|_| Vec::new()).collect();
        for (u, v, w) in edges {
            if u == v {
                return Err(SemiflowError::DomainViolation {
                    what: "Graph::from_edges: self-loop not allowed",
                    value: f64::from(u),
                });
            }
            if u as usize >= n_nodes || v as usize >= n_nodes {
                return Err(SemiflowError::DomainViolation {
                    what: "Graph::from_edges: node index >= n_nodes",
                    value: f64::from(u.max(v)),
                });
            }
            if !w.is_finite() || w <= F::zero() {
                return Err(SemiflowError::DomainViolation {
                    what: "Graph::from_edges: weight must be finite and positive",
                    value: w.to_f64().unwrap_or(f64::NAN),
                });
            }
            if rows[u as usize].iter().any(|(c, _)| *c == v) {
                return Err(SemiflowError::DomainViolation {
                    what: "Graph::from_edges: duplicate edge",
                    value: f64::from(u),
                });
            }
            rows[u as usize].push((v, w));
            rows[v as usize].push((u, w));
        }
        Ok(Self::from_rows(n_nodes, rows))
    }

    /// Erdős–Rényi `G(n_nodes, p)` with seeded splitmix64 RNG. All weights = 1.
    #[must_use]
    pub fn erdos_renyi(n_nodes: usize, p: f64, seed: u64) -> Self {
        let mut rng = SplitMix64::new(seed);
        let mut rows: Vec<Vec<(u32, F)>> = (0..n_nodes).map(|_| Vec::new()).collect();
        for u in 0..n_nodes {
            for v in (u + 1)..n_nodes {
                let r = rng.next_f64();
                if r < p {
                    #[allow(clippy::cast_possible_truncation)]
                    let (v_u32, u_u32) = (v as u32, u as u32);
                    rows[u].push((v_u32, F::one()));
                    rows[v].push((u_u32, F::one()));
                }
            }
        }
        Self::from_rows(n_nodes, rows)
    }
}

/// Minimal splitmix64 RNG for deterministic Erdős–Rényi graphs.
struct SplitMix64 {
    state: u64,
}

impl SplitMix64 {
    fn new(seed: u64) -> Self {
        Self { state: seed }
    }

    fn next_u64(&mut self) -> u64 {
        self.state = self.state.wrapping_add(0x9e37_79b9_7f4a_7c15);
        let mut z = self.state;
        z = (z ^ (z >> 30)).wrapping_mul(0xbf58_476d_1ce4_e5b9);
        z = (z ^ (z >> 27)).wrapping_mul(0x94d0_49bb_1331_11eb);
        z ^ (z >> 31)
    }

    fn next_f64(&mut self) -> f64 {
        #[allow(clippy::cast_precision_loss)]
        let hi53 = (self.next_u64() >> 11) as f64; // upper 53 bits → [0,1)
        #[allow(clippy::cast_precision_loss)]
        let scale = 1.0_f64 / (1u64 << 53) as f64; // 2^53 exact in f64
        hi53 * scale
    }
}

/// Frozen sparse Laplacian in CSR layout. See ADR-0048 invariants L1–L4.
///
/// Diagonal entry is the **LAST** entry of each row (invariant L1).
pub struct Laplacian<F: SemiflowFloat = f64> {
    n_nodes: usize,
    row_ptr: Vec<usize>,
    col_idx: Vec<u32>,
    vals: Vec<F>,
    spectral_radius_bound: F,
    kind: LaplacianKind,
}

impl<F: SemiflowFloat> Laplacian<F> {
    /// Number of nodes.
    #[must_use]
    pub fn n_nodes(&self) -> usize {
        self.n_nodes
    }

    /// Gershgorin spectral-radius upper bound `ρ̄ ≥ ρ(L_G)`. Cached at assembly.
    #[must_use]
    pub fn spectral_radius_bound(&self) -> F {
        self.spectral_radius_bound
    }

    /// Normalization kind (documentation only).
    #[must_use]
    pub fn kind(&self) -> LaplacianKind {
        self.kind
    }

    /// Row-pointer slice. Length `n_nodes + 1`.
    #[must_use]
    pub fn row_ptr(&self) -> &[usize] {
        &self.row_ptr
    }

    /// Column-index slice.
    #[must_use]
    pub fn col_idx(&self) -> &[u32] {
        &self.col_idx
    }

    /// Value slice (`L[i,j]` for each CSR entry).
    #[must_use]
    pub fn vals(&self) -> &[F] {
        &self.vals
    }

    /// Combinatorial Laplacian `L = D − W` from a graph.
    #[must_use]
    pub fn assemble_combinatorial(g: &Graph<F>) -> Self {
        assemble_laplacian(g, LaplacianKind::Combinatorial)
    }

    /// Symmetric normalized `L_sym = I − D^{−½} W D^{−½}` (Chung §1.2; isolated nodes → 0).
    #[must_use]
    pub fn assemble_normalized(g: &Graph<F>) -> Self {
        assemble_laplacian(g, LaplacianKind::SymNormalized)
    }

    /// Construct a [`Laplacian`] from pre-computed CSR parts (ADR-0180).
    ///
    /// # Errors
    /// [`SemiflowError::DomainViolation`] on dimension mismatch or `col_idx[k] >= n_nodes`.
    pub fn from_csr_parts(
        n_nodes: usize,
        row_ptr: Vec<usize>,
        col_idx: Vec<u32>,
        vals: Vec<F>,
        kind: LaplacianKind,
    ) -> Result<Self, SemiflowError> {
        validate_csr_parts(n_nodes, &row_ptr, &col_idx, &vals)?;
        let rho_bar = gershgorin_bound_csr(&row_ptr, &vals);
        Ok(Self {
            n_nodes,
            row_ptr,
            col_idx,
            vals,
            spectral_radius_bound: rho_bar,
            kind,
        })
    }

    /// `dst ← L_G · src`. Zero-alloc; `src.len() == dst.len() == self.n_nodes`.
    pub fn apply_into_slice(&self, src: &[F], dst: &mut [F]) {
        debug_assert_eq!(
            src.len(),
            self.n_nodes,
            "apply_into_slice: src len mismatch"
        );
        debug_assert_eq!(
            dst.len(),
            self.n_nodes,
            "apply_into_slice: dst len mismatch"
        );
        for (i, d) in dst.iter_mut().enumerate() {
            let mut acc = F::zero();
            for k in self.row_ptr[i]..self.row_ptr[i + 1] {
                acc += self.vals[k] * src[self.col_idx[k] as usize];
            }
            *d = acc;
        }
    }
}

/// Build Laplacian CSR rows: off-diagonals first (sorted asc), diagonal last (L1).
fn assemble_laplacian<F: SemiflowFloat>(g: &Graph<F>, kind: LaplacianKind) -> Laplacian<F> {
    let n = g.n_nodes();
    let mut deg: Vec<F> = vec![F::zero(); n];
    for (i, d) in deg.iter_mut().enumerate() {
        for k in g.row_ptr()[i]..g.row_ptr()[i + 1] {
            *d += g.vals()[k];
        }
    }

    let rows = fill_laplacian_rows(g, kind, &deg, n);
    let rho_bar = compute_gershgorin_bound(&rows);
    let (row_ptr, col_idx, vals) = flatten_to_csr(&rows);

    Laplacian {
        n_nodes: n,
        row_ptr,
        col_idx,
        vals,
        spectral_radius_bound: rho_bar,
        kind,
    }
}

/// Fill per-row entries: off-diagonals sorted ascending (I3/L1), diagonal appended last.
fn fill_laplacian_rows<F: SemiflowFloat>(
    g: &Graph<F>,
    kind: LaplacianKind,
    deg: &[F],
    n: usize,
) -> Vec<Vec<(u32, F)>> {
    let mut rows: Vec<Vec<(u32, F)>> = (0..n).map(|_| Vec::new()).collect();
    match kind {
        LaplacianKind::Combinatorial => {
            for (i, row) in rows.iter_mut().enumerate() {
                for k in g.row_ptr()[i]..g.row_ptr()[i + 1] {
                    let j = g.col_idx()[k]; // u32 (I6 guarantees < n)
                    row.push((j, -g.vals()[k]));
                }
            }
        }
        LaplacianKind::SymNormalized => {
            for (i, row) in rows.iter_mut().enumerate() {
                let di = deg[i];
                for k in g.row_ptr()[i]..g.row_ptr()[i + 1] {
                    let j = g.col_idx()[k]; // u32
                    let dj = deg[j as usize];
                    let w = g.vals()[k];
                    let val = if di > F::zero() && dj > F::zero() {
                        -w / (di * dj).sqrt()
                    } else {
                        F::zero()
                    };
                    row.push((j, val));
                }
            }
        }
    }
    for row in &mut rows {
        row.sort_unstable_by_key(|(c, _)| *c);
    }
    append_diagonal_entries(&mut rows, kind, deg);
    rows
}

/// Append the diagonal entry `(i, diag_i)` to each row (invariant L1).
fn append_diagonal_entries<F: SemiflowFloat>(
    rows: &mut [Vec<(u32, F)>],
    kind: LaplacianKind,
    deg: &[F],
) {
    for (i, row) in rows.iter_mut().enumerate() {
        let diag = match kind {
            LaplacianKind::Combinatorial => deg[i],
            LaplacianKind::SymNormalized => {
                if deg[i] > F::zero() {
                    F::one()
                } else {
                    F::zero()
                }
            }
        };
        #[allow(clippy::cast_possible_truncation)]
        row.push((i as u32, diag));
    }
}

/// Flatten adjacency rows into CSR `(row_ptr, col_idx, vals)`.
fn flatten_to_csr<F: Copy>(rows: &[Vec<(u32, F)>]) -> (Vec<usize>, Vec<u32>, Vec<F>) {
    let total: usize = rows.iter().map(Vec::len).sum();
    let mut row_ptr = Vec::with_capacity(rows.len() + 1);
    let mut col_idx = Vec::with_capacity(total);
    let mut vals = Vec::with_capacity(total);
    let mut ptr = 0_usize;
    row_ptr.push(0);
    for row in rows {
        for &(c, v) in row {
            col_idx.push(c);
            vals.push(v);
        }
        ptr += row.len();
        row_ptr.push(ptr);
    }
    (row_ptr, col_idx, vals)
}

/// Validate CSR parts (dimensions + `col_idx` range) for `Laplacian::from_csr_parts`.
fn validate_csr_parts<F: SemiflowFloat>(
    n_nodes: usize,
    row_ptr: &[usize],
    col_idx: &[u32],
    vals: &[F],
) -> Result<(), SemiflowError> {
    if row_ptr.len() != n_nodes + 1 {
        return Err(SemiflowError::DomainViolation {
            what: "from_csr_parts: row_ptr.len() must equal n_nodes+1",
            #[allow(clippy::cast_precision_loss)]
            value: row_ptr.len() as f64,
        });
    }
    for i in 0..n_nodes {
        if row_ptr[i] > row_ptr[i + 1] {
            return Err(SemiflowError::DomainViolation {
                what: "from_csr_parts: row_ptr not monotone non-decreasing",
                #[allow(clippy::cast_precision_loss)]
                value: i as f64,
            });
        }
    }
    let nnz = row_ptr[n_nodes];
    if col_idx.len() != nnz || vals.len() != nnz {
        return Err(SemiflowError::DomainViolation {
            what: "from_csr_parts: col_idx.len()/vals.len() must equal row_ptr[n_nodes]",
            #[allow(clippy::cast_precision_loss)]
            value: nnz as f64,
        });
    }
    for &c in col_idx {
        if c as usize >= n_nodes {
            return Err(SemiflowError::DomainViolation {
                what: "from_csr_parts: col_idx entry >= n_nodes",
                value: f64::from(c),
            });
        }
    }
    Ok(())
}

/// Gershgorin row-sum bound from flat CSR: `ρ̄ = max_i Σ_j |L[i,j]|`.
fn gershgorin_bound_csr<F: SemiflowFloat>(row_ptr: &[usize], vals: &[F]) -> F {
    let n = row_ptr.len().saturating_sub(1);
    let mut max_sum = F::zero();
    for i in 0..n {
        let mut row_sum = F::zero();
        for v in &vals[row_ptr[i]..row_ptr[i + 1]] {
            let av = if *v < F::zero() { F::zero() - *v } else { *v };
            row_sum += av;
        }
        if row_sum > max_sum {
            max_sum = row_sum;
        }
    }
    max_sum
}

// Same as `gershgorin_bound_csr` but from rows vec (pre-assembly).
fn compute_gershgorin_bound<F: SemiflowFloat>(rows: &[Vec<(u32, F)>]) -> F {
    let mut max_sum = F::zero();
    for row in rows {
        let row_sum: F = row.iter().fold(F::zero(), |acc, &(_, v)| {
            let av = if v < F::zero() { F::zero() - v } else { v };
            acc + av
        });
        if row_sum > max_sum {
            max_sum = row_sum;
        }
    }
    max_sum
}