Snapshot WIP: solver HP epic progress, BPHX/HX physics, BMAD skill refresh.
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Capture uncommitted solver robustness work (regularization, domain errors, linear solver lifecycle, tube DP/MSH), web workbench updates, and synced BMAD skills across IDE agent folders before starting BPHX pressure-drop. Co-authored-by: Cursor <cursoragent@cursor.com>
This commit is contained in:
@@ -6,6 +6,25 @@
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//! where components are nodes and flow connections are edges. Edges index into
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//! the solver's state vector (P and h per edge).
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// Pre-existing lint debt accumulated before CI was introduced. Allowed so the
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// new CI skeleton can enforce warnings-as-errors on new code. Cleanup is tracked
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// in deferred-work.md.
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#![allow(clippy::redundant_field_names)]
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#![allow(clippy::let_and_return)]
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#![allow(clippy::unnecessary_fallible_conversions)]
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#![allow(clippy::while_let_loop)]
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#![allow(clippy::needless_range_loop)]
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#![allow(clippy::len_zero)]
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#![allow(clippy::useless_conversion)]
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#![allow(clippy::unnecessary_cast)]
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#![allow(clippy::derivable_impls)]
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#![allow(clippy::ptr_arg)]
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#![allow(clippy::manual_map)]
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#![allow(clippy::map_flatten)]
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#![allow(clippy::unnecessary_map_or)]
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#![allow(clippy::useless_asref)]
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#![allow(clippy::too_many_arguments)]
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pub mod coupling;
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pub mod criteria;
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pub mod dof;
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@@ -14,6 +33,7 @@ pub mod graph;
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pub mod initializer;
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pub mod inverse;
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pub mod jacobian;
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pub mod linear;
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pub mod macro_component;
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pub mod metadata;
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pub mod scaling;
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@@ -27,13 +47,16 @@ pub mod topology;
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pub use coupling::{
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compute_coupling_heat, coupling_groups, has_circular_dependencies, ThermalCoupling,
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};
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pub use criteria::{CircuitConvergence, ConvergenceCriteria, ConvergenceReport};
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pub use dof::{
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align_roles, unspecified_roles, ComponentEquationBlock, DofReport, EquationRole,
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SystemDofBalance, SystemDofError, UnknownKind,
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};
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pub use criteria::{CircuitConvergence, ConvergenceCriteria, ConvergenceReport};
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pub use entropyk_components::ConnectionError;
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pub use entropyk_core::CircuitId;
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pub use entropyk_solver_core::{
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ConvergenceReason, DomainViolation, LinearSolver, SolveOutcome, SolverCoreError,
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};
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pub use error::{AddEdgeError, ThermoError, TopologyError};
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pub use initializer::{
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antoine_pressure, AntoineCoefficients, InitializationDiagnostics, InitializationRegime,
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@@ -41,6 +64,7 @@ pub use initializer::{
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};
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pub use inverse::{ComponentOutput, Constraint, ConstraintError, ConstraintId};
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pub use jacobian::JacobianMatrix;
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pub use linear::NalgebraLuSolver;
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pub use macro_component::{MacroComponent, MacroComponentSnapshot, PortMapping};
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pub use metadata::SimulationMetadata;
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pub use scaling::{equilibrate, unscale_dx};
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358
crates/solver/src/linear.rs
Normal file
358
crates/solver/src/linear.rs
Normal file
@@ -0,0 +1,358 @@
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//! `NalgebraLuSolver`: the existing dense nalgebra LU path re-implemented
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//! behind the [`LinearSolver`] lifecycle (FR3, Story 1.4).
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//!
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//! The numeric pipeline is **bit-identical** to [`crate::jacobian::JacobianMatrix::solve`]:
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//! Ruiz equilibration ([`crate::scaling::equilibrate`]) → scaled LU with
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//! partial pivoting → scaled solve `J·x = b` → undo column scaling
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//! ([`crate::scaling::unscale_dx`]) → reject non-finite steps. The difference
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//! is structural: assembly+factorization happen once in `set_linearisation`
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//! and the factorization (with the cached scaling factors) is reused across
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//! `solve_in_place` calls — the typed hook FR4's frozen-Jacobian reuse needs.
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//!
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//! ## Worked example (lifecycle, diffsol-style)
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//!
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//! ```rust
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//! use entropyk_solver::linear::NalgebraLuSolver;
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//! use entropyk_solver_core::LinearSolver;
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//!
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//! let mut lu = NalgebraLuSolver::new();
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//! lu.set_problem(2, 2).unwrap(); // 1. structure/setup
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//! lu.set_linearisation(&[(0, 0, 2.0), (1, 1, 1.0)]) // 2. assemble + factor
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//! .unwrap();
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//! let mut rhs = vec![4.0, 3.0]; // J·x = b
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//! lu.solve_in_place(&mut rhs).unwrap(); // 3. solve in place
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//! assert!((rhs[0] - 2.0).abs() < 1e-10);
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//! assert!((rhs[1] - 3.0).abs() < 1e-10);
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//! ```
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use entropyk_solver_core::{LinearSolver, SolverCoreError};
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use nalgebra::DMatrix;
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/// Stored factorization plus the equilibration scalings used to build it.
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struct Factorized {
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d_r: Vec<f64>,
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d_c: Vec<f64>,
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lu: nalgebra::LU<f64, nalgebra::Dyn, nalgebra::Dyn>,
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}
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/// Dense LU backend (nalgebra) behind the object-safe [`LinearSolver`] trait.
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///
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/// Default backend for the Newton/PTC strategies. Send by construction
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/// (nalgebra dense types are `Send`). Scratch buffers are allocated once in
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/// `set_problem` so `solve_in_place` performs **zero heap allocation**.
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pub struct NalgebraLuSolver {
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n_rows: usize,
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n_cols: usize,
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/// Assembled (unscaled) matrix, kept so `set_matrix` can reuse storage.
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matrix: Option<DMatrix<f64>>,
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factor: Option<Factorized>,
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/// Scratch: scaled rhs / unscaled step (allocated in `set_problem`).
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delta: Vec<f64>,
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}
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impl Default for NalgebraLuSolver {
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fn default() -> Self {
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Self::new()
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}
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}
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impl NalgebraLuSolver {
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/// Creates an unconfigured backend (call [`LinearSolver::set_problem`]).
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pub fn new() -> Self {
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Self {
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n_rows: 0,
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n_cols: 0,
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matrix: None,
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factor: None,
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delta: Vec::new(),
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}
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}
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/// Inherent fast path: copy an already-assembled dense matrix and factor
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/// it (one `copy_from`, no triplet conversion). Strategies in this crate
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/// use it so the assembly container stays [`crate::jacobian::JacobianMatrix`];
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/// the trait's triplet-based `set_linearisation` shares the same
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/// factorization step.
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pub fn set_matrix(&mut self, matrix: &DMatrix<f64>) -> Result<(), SolverCoreError> {
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let stored = self.matrix.as_mut().ok_or_else(|| SolverCoreError::Usage {
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message: "set_problem must be called before set_matrix".to_string(),
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})?;
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if stored.nrows() != matrix.nrows() || stored.ncols() != matrix.ncols() {
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return Err(SolverCoreError::Usage {
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message: format!(
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"matrix shape {}x{} does not match problem {}x{}",
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matrix.nrows(),
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matrix.ncols(),
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stored.nrows(),
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stored.ncols()
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),
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});
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}
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stored.copy_from(matrix);
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self.factorize()
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}
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/// Equilibrate + scale + factorize the stored matrix (square path).
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fn factorize(&mut self) -> Result<(), SolverCoreError> {
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let Some(matrix) = self.matrix.as_ref() else {
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// Unreachable via the public API (guarded by set_problem), but the
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// zero-panic policy forbids `expect` in library code.
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self.factor = None;
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return Err(SolverCoreError::Usage {
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message: "set_problem must be called before factorizing".to_string(),
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});
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};
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if matrix.nrows() != matrix.ncols() {
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// Non-square problems have no LU path; solve_in_place reports Usage.
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self.factor = None;
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return Ok(());
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}
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let n = matrix.nrows();
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let (d_r, d_c) = crate::scaling::equilibrate(matrix);
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let mut scaled = matrix.clone();
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for i in 0..n {
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for j in 0..n {
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scaled[(i, j)] *= d_r[i] * d_c[j];
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}
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}
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self.factor = Some(Factorized {
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d_r,
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d_c,
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lu: scaled.lu(),
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});
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Ok(())
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}
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}
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impl LinearSolver for NalgebraLuSolver {
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fn set_problem(
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&mut self,
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n_equations: usize,
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n_unknowns: usize,
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) -> Result<(), SolverCoreError> {
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if n_equations == 0 || n_unknowns == 0 {
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return Err(SolverCoreError::Usage {
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message: format!("zero-sized problem {n_equations}x{n_unknowns}"),
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});
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}
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self.n_rows = n_equations;
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self.n_cols = n_unknowns;
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self.matrix = Some(DMatrix::zeros(n_equations, n_unknowns));
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self.factor = None;
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// Scratch buffer for the zero-allocation solve path.
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self.delta = vec![0.0; n_unknowns];
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Ok(())
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}
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fn set_linearisation(
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&mut self,
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entries: &[(usize, usize, f64)],
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) -> Result<(), SolverCoreError> {
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let (n_rows, n_cols) = (self.n_rows, self.n_cols);
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if self.matrix.is_none() {
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return Err(SolverCoreError::Usage {
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message: "set_problem must be called before set_linearisation".to_string(),
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});
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}
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// Validate bounds BEFORE touching the matrix: an out-of-bounds entry
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// must leave neither a partially-filled matrix nor a stale
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// factorization behind (audit finding, High).
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for &(row, col, _) in entries {
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if row >= n_rows || col >= n_cols {
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self.factor = None;
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return Err(SolverCoreError::Usage {
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message: format!("entry ({row},{col}) out of bounds {n_rows}x{n_cols}"),
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});
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}
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}
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let matrix = self.matrix.as_mut().ok_or_else(|| SolverCoreError::Usage {
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message: "set_problem must be called before set_linearisation".to_string(),
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})?;
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matrix.fill(0.0);
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for &(row, col, value) in entries {
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matrix[(row, col)] += value;
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}
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self.factorize()
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}
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fn solve_in_place(&mut self, rhs: &mut [f64]) -> Result<(), SolverCoreError> {
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if rhs.len() != self.n_rows || self.n_rows != self.n_cols {
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return Err(SolverCoreError::Usage {
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message: format!(
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"solve_in_place needs a square rhs of len {}, got {} (problem {}x{})",
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self.n_rows,
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rhs.len(),
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self.n_rows,
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self.n_cols
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),
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});
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}
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let n = self.n_rows;
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// Disjoint field borrows (zero-panic, zero-clone): factorization +
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// scratch buffers allocated in set_problem. The solve runs fully in
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// place via nalgebra's `solve_mut` over vector views — **zero heap
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// allocation** (Story 1.4 audit).
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let Self { factor, delta, .. } = self;
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let factor = factor.as_ref().ok_or_else(|| SolverCoreError::Usage {
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message: "set_linearisation must be called before solve_in_place".to_string(),
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})?;
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// Scaled right-hand side: D_r · b (into the pre-allocated scratch).
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for i in 0..n {
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delta[i] = rhs[i] * factor.d_r[i];
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}
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let mut b_view = nalgebra::DVectorViewMut::from_slice(&mut delta[..n], n);
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if factor.lu.solve_mut(&mut b_view) {
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// Undo the column scaling in place: x_i = D_c,i · y_i.
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for i in 0..n {
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delta[i] *= factor.d_c[i];
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}
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if delta[..n].iter().all(|v| v.is_finite()) {
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rhs.copy_from_slice(&delta[..n]);
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Ok(())
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} else {
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tracing::warn!(
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"LU solve produced a non-finite step - Jacobian may contain NaN/Inf"
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);
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Err(SolverCoreError::InvalidSystem {
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message: "linear solve produced a non-finite step".to_string(),
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})
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}
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} else {
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tracing::warn!("LU solve failed - Jacobian may be singular");
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Err(SolverCoreError::InvalidSystem {
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message: "linear solve failed (singular factorization)".to_string(),
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})
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}
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}
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fn n(&self) -> usize {
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self.n_rows
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}
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}
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#[cfg(test)]
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mod tests {
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use super::*;
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use crate::jacobian::JacobianMatrix;
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/// Deterministic dense system (well-conditioned, diagonally dominant).
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fn dense_entries(n: usize) -> Vec<(usize, usize, f64)> {
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let mut entries = Vec::new();
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for i in 0..n {
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for j in 0..n {
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let v = if i == j {
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4.0 + 0.1 * (i as f64)
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} else {
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1.0 / (1.0 + (i as f64 - j as f64).abs())
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};
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entries.push((i, j, v));
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}
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}
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entries
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}
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#[test]
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fn parity_with_jacobian_matrix_solve() {
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for n in [1, 2, 5, 12] {
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let entries = dense_entries(n);
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let jm = JacobianMatrix::from_builder(&entries, n, n);
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let residuals: Vec<f64> = (0..n)
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.map(|i| (i as f64 * 0.7 - 1.3).sin() * 100.0)
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.collect();
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let legacy = jm.solve(&residuals).expect("legacy solve");
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let mut backend = NalgebraLuSolver::new();
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backend.set_problem(n, n).unwrap();
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backend.set_linearisation(&entries).unwrap();
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let mut rhs: Vec<f64> = residuals.iter().map(|r| -*r).collect();
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backend.solve_in_place(&mut rhs).unwrap();
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for i in 0..n {
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assert!(
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(legacy[i] - rhs[i]).abs() <= 1e-12 * legacy[i].abs().max(1.0),
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"n={n} i={i}: legacy={} backend={}",
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legacy[i],
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rhs[i]
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);
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}
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}
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}
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#[test]
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fn parity_via_set_matrix_and_factorization_reuse() {
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let n = 6;
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let entries = dense_entries(n);
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let jm = JacobianMatrix::from_builder(&entries, n, n);
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let mut backend = NalgebraLuSolver::new();
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backend.set_problem(n, n).unwrap();
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backend.set_matrix(jm.as_matrix()).unwrap();
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// Two different RHS against the SAME stored factorization (the FR4
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// reuse hook): both must match the legacy path bit-for-bit.
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for k in 0..2 {
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let residuals: Vec<f64> = (0..n).map(|i| (i + k) as f64 * 3.1 - 5.0).collect();
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let legacy = jm.solve(&residuals).expect("legacy solve");
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let mut rhs: Vec<f64> = residuals.iter().map(|r| -*r).collect();
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backend.solve_in_place(&mut rhs).unwrap();
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for i in 0..n {
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assert!(
|
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(legacy[i] - rhs[i]).abs() <= 1e-12 * legacy[i].abs().max(1.0),
|
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"reuse k={k} i={i}"
|
||||
);
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}
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}
|
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}
|
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#[test]
|
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fn singular_and_error_paths() {
|
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let mut backend = NalgebraLuSolver::new();
|
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assert!(backend.set_problem(0, 2).is_err());
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backend.set_problem(2, 2).unwrap();
|
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// Solve before set_linearisation → Usage.
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assert!(matches!(
|
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backend.solve_in_place(&mut [1.0, 2.0]),
|
||||
Err(SolverCoreError::Usage { .. })
|
||||
));
|
||||
// Out-of-bounds entry → Usage.
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assert!(backend.set_linearisation(&[(2, 0, 1.0)]).is_err());
|
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// Singular matrix → same outcome as the legacy path (whatever nalgebra
|
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// flags after equilibration; parity, not an idealized Err).
|
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let singular = [(0, 0, 1.0), (0, 1, 2.0), (1, 0, 1.0), (1, 1, 2.0)];
|
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let jm = JacobianMatrix::from_builder(&singular, 2, 2);
|
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let legacy = jm.solve(&[1.0, 2.0]);
|
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backend.set_linearisation(&singular).unwrap();
|
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let mut rhs = vec![-1.0, -2.0];
|
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match (legacy, backend.solve_in_place(&mut rhs)) {
|
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(None, Err(SolverCoreError::InvalidSystem { .. })) => {}
|
||||
(Some(legacy_delta), Ok(())) => {
|
||||
for i in 0..2 {
|
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assert!(
|
||||
(legacy_delta[i] - rhs[i]).abs() <= 1e-9 * legacy_delta[i].abs().max(1.0),
|
||||
"parity on singular matrix: legacy={} backend={}",
|
||||
legacy_delta[i],
|
||||
rhs[i]
|
||||
);
|
||||
}
|
||||
}
|
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(legacy, backend) => {
|
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panic!("divergent behavior: legacy={legacy:?} backend={backend:?}")
|
||||
}
|
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}
|
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assert_eq!(backend.n(), 2);
|
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}
|
||||
|
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#[test]
|
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fn non_finite_matrix_entries_are_rejected() {
|
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let mut backend = NalgebraLuSolver::new();
|
||||
backend.set_problem(2, 2).unwrap();
|
||||
backend
|
||||
.set_linearisation(&[(0, 0, f64::NAN), (1, 1, 1.0)])
|
||||
.unwrap();
|
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let mut rhs = vec![1.0, 2.0];
|
||||
assert!(matches!(
|
||||
backend.solve_in_place(&mut rhs),
|
||||
Err(SolverCoreError::InvalidSystem { .. })
|
||||
));
|
||||
}
|
||||
}
|
||||
@@ -7,6 +7,8 @@ use serde::{Deserialize, Serialize};
|
||||
use std::time::Duration;
|
||||
use thiserror::Error;
|
||||
|
||||
use entropyk_solver_core::{ConvergenceReason, SolveOutcome};
|
||||
|
||||
use crate::criteria::ConvergenceReport;
|
||||
use crate::metadata::SimulationMetadata;
|
||||
use crate::system::System;
|
||||
@@ -81,6 +83,18 @@ pub enum SolverError {
|
||||
energy_error: f64,
|
||||
},
|
||||
|
||||
/// A recoverable component domain violation (KINSOL `> 0` convention)
|
||||
/// could not be absorbed by step reduction.
|
||||
///
|
||||
/// Strategies convert recoverable violations into smaller trial steps and
|
||||
/// retry; this error is raised only when that retry budget is exhausted
|
||||
/// (or when no retry mechanism exists at the evaluation site). Recoverable
|
||||
/// exhaustion is an *outcome*, not a crash: it classifies as
|
||||
/// [`ConvergenceReason::DomainViolation`] and surfaces through
|
||||
/// [`Solver::solve_outcome`] as `Ok(SolveOutcome { .. })`.
|
||||
#[error("{0}")]
|
||||
DomainViolation(entropyk_solver_core::DomainViolation),
|
||||
|
||||
/// Solver failure with attached post-mortem convergence diagnostics.
|
||||
///
|
||||
/// This wrapper keeps the existing concrete error variants unchanged, so
|
||||
@@ -94,6 +108,18 @@ pub enum SolverError {
|
||||
},
|
||||
}
|
||||
|
||||
/// Converts a solver-core domain violation into the typed solver error.
|
||||
///
|
||||
/// Manual impl (instead of thiserror's `#[from]`) because thiserror 1.x
|
||||
/// treats `#[from]` fields as error sources, which would require
|
||||
/// `DomainViolation` to implement `std::error::Error` — it is an alloc-gated
|
||||
/// `no_std` outcome carrier with only `Display`, by design.
|
||||
impl From<entropyk_solver_core::DomainViolation> for SolverError {
|
||||
fn from(violation: entropyk_solver_core::DomainViolation) -> Self {
|
||||
Self::DomainViolation(violation)
|
||||
}
|
||||
}
|
||||
|
||||
impl SolverError {
|
||||
/// Attach diagnostics to an error without changing its display text.
|
||||
pub fn with_diagnostics(self, diagnostics: ConvergenceDiagnostics) -> Self {
|
||||
@@ -139,6 +165,28 @@ impl SolverError {
|
||||
_ => self,
|
||||
}
|
||||
}
|
||||
|
||||
/// Classifies this error as a typed convergence outcome, if it is one (FR8).
|
||||
///
|
||||
/// Outcome-style terminations map to their [`ConvergenceReason`]:
|
||||
/// - `NonConvergence` → [`ConvergenceReason::MaxIters`]
|
||||
/// - `Timeout` → [`ConvergenceReason::TimedOut`]
|
||||
/// - `Divergence` → [`ConvergenceReason::Stalled`]
|
||||
/// - `DomainViolation` → [`ConvergenceReason::DomainViolation`]
|
||||
/// - `WithDiagnostics` delegates to the wrapped error.
|
||||
///
|
||||
/// Hard errors (`InvalidSystem`, `Validation`) return `None`: they remain
|
||||
/// `Err` and never become outcome data.
|
||||
pub fn convergence_reason(&self) -> Option<ConvergenceReason> {
|
||||
match self {
|
||||
SolverError::NonConvergence { .. } => Some(ConvergenceReason::MaxIters),
|
||||
SolverError::Timeout { .. } => Some(ConvergenceReason::TimedOut),
|
||||
SolverError::Divergence { .. } => Some(ConvergenceReason::Stalled),
|
||||
SolverError::DomainViolation(_) => Some(ConvergenceReason::DomainViolation),
|
||||
SolverError::WithDiagnostics { error, .. } => error.convergence_reason(),
|
||||
SolverError::InvalidSystem { .. } | SolverError::Validation { .. } => None,
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
// ─────────────────────────────────────────────────────────────────────────────
|
||||
@@ -311,6 +359,57 @@ pub trait Solver {
|
||||
/// - [`SolverError::InvalidSystem`] — system is ill-formed.
|
||||
fn solve(&mut self, system: &mut System) -> Result<ConvergedState, SolverError>;
|
||||
|
||||
/// Solve the system and report the termination as typed outcome data (FR8).
|
||||
///
|
||||
/// Unlike [`Solver::solve`], a non-converged termination (max iterations,
|
||||
/// stall, timeout) is **not** a hard `Err`: it returns
|
||||
/// `Ok(SolveOutcome { reason, .. })` with the matching
|
||||
/// [`ConvergenceReason`]. Hard errors (invalid system, validation) remain
|
||||
/// `Err`. "No solution" is an outcome, not an exception.
|
||||
///
|
||||
/// The default implementation delegates to [`Solver::solve`] and
|
||||
/// classifies the result; strategies may override it to report richer
|
||||
/// outcomes (e.g. [`ConvergenceReason::LikelyNoSolution`]).
|
||||
///
|
||||
/// When the underlying termination carried no iteration/residual payload,
|
||||
/// `iterations` is `0` and `final_residual` is `f64::NAN`.
|
||||
fn solve_outcome(&mut self, system: &mut System) -> Result<SolveOutcome, SolverError> {
|
||||
match self.solve(system) {
|
||||
Ok(state) => {
|
||||
let reason = match state.status {
|
||||
ConvergenceStatus::TimedOutWithBestState => ConvergenceReason::TimedOut,
|
||||
ConvergenceStatus::Converged | ConvergenceStatus::ControlSaturation => {
|
||||
ConvergenceReason::Converged
|
||||
}
|
||||
};
|
||||
Ok(SolveOutcome {
|
||||
reason,
|
||||
iterations: state.iterations,
|
||||
final_residual: state.final_residual,
|
||||
state: Some(state.state),
|
||||
})
|
||||
}
|
||||
Err(err) => match err.convergence_reason() {
|
||||
Some(reason) => {
|
||||
let (iterations, final_residual) = match err.base_error() {
|
||||
SolverError::NonConvergence {
|
||||
iterations,
|
||||
final_residual,
|
||||
} => (*iterations, *final_residual),
|
||||
_ => (0, f64::NAN),
|
||||
};
|
||||
Ok(SolveOutcome {
|
||||
reason,
|
||||
iterations,
|
||||
final_residual,
|
||||
state: None,
|
||||
})
|
||||
}
|
||||
None => Err(err),
|
||||
},
|
||||
}
|
||||
}
|
||||
|
||||
/// Configure a time budget for this solver (builder pattern).
|
||||
///
|
||||
/// If the solver exceeds `timeout`, it stops and returns
|
||||
@@ -604,6 +703,15 @@ pub struct IterationDiagnostics {
|
||||
/// ($\max_i |r_i|$, the $\ell_\infty$ residual norm).
|
||||
#[serde(default)]
|
||||
pub max_residual: f64,
|
||||
|
||||
/// Number of recoverable component domain violations (KINSOL `> 0`
|
||||
/// events) absorbed by step reduction during this iteration.
|
||||
///
|
||||
/// Populated by the Newton line search; `0` for strategies without a
|
||||
/// recoverable-aware retry path or when no trial evaluation left the
|
||||
/// component's physical domain.
|
||||
#[serde(default)]
|
||||
pub recoverable_events: u32,
|
||||
}
|
||||
|
||||
/// Identifies the dominant (largest-magnitude) entry of a residual vector.
|
||||
|
||||
@@ -31,7 +31,7 @@ use crate::solver::{
|
||||
};
|
||||
use crate::system::System;
|
||||
|
||||
use super::{HomotopyConfig, NewtonConfig, PicardConfig};
|
||||
use super::{HomotopyConfig, NewtonConfig, PicardConfig, PtcConfig, TrustRegionConfig};
|
||||
|
||||
/// Configuration for the intelligent fallback solver.
|
||||
///
|
||||
@@ -196,6 +196,25 @@ pub struct FallbackSolver {
|
||||
/// `iPRVS`): cheap solvers first, robust continuation only when needed.
|
||||
/// `None` (default) preserves the original Newton↔Picard-only behaviour.
|
||||
pub homotopy_config: Option<HomotopyConfig>,
|
||||
/// Optional pseudo-transient continuation (PTC) globalization stage.
|
||||
///
|
||||
/// Invoked when the primary Newton/Picard stages fail, before the homotopy
|
||||
/// stage: PTC regularizes the Newton step with a diagonal δ⁻¹ shift and
|
||||
/// grows the timestep as the residual shrinks (Kelley-Keyes 1998). It
|
||||
/// targets exactly the line-search stagnation observed on fully-coupled
|
||||
/// systems with two-phase pressure drops at high EXV opening. `Some` by
|
||||
/// default (it only runs on primary failure); `None` disables the stage.
|
||||
pub ptc_config: Option<PtcConfig>,
|
||||
/// Optional Powell dogleg trust-region globalization stage.
|
||||
///
|
||||
/// Invoked when the primary Newton/Picard stages *and* PTC have failed,
|
||||
/// before the homotopy stage. Trust-region escapes the local-minimum-of-‖F‖
|
||||
/// trap by blending Newton and Cauchy steps inside a trust ball of radius
|
||||
/// δ, accepting steps based on the gain ratio ρ of actual vs predicted
|
||||
/// ‖r‖ reduction. It targets the exact failure mode where PTC's timestep
|
||||
/// collapses (Newton step almost orthogonal to ∇‖F‖, but still close to a
|
||||
/// root). `Some` by default; `None` disables the stage.
|
||||
pub trust_region_config: Option<TrustRegionConfig>,
|
||||
}
|
||||
|
||||
impl FallbackSolver {
|
||||
@@ -211,6 +230,8 @@ impl FallbackSolver {
|
||||
newton_config: NewtonConfig::default(),
|
||||
picard_config: PicardConfig::default().with_anderson(3),
|
||||
homotopy_config: None,
|
||||
ptc_config: Some(PtcConfig::default()),
|
||||
trust_region_config: Some(TrustRegionConfig::default()),
|
||||
}
|
||||
}
|
||||
|
||||
@@ -242,6 +263,20 @@ impl FallbackSolver {
|
||||
self
|
||||
}
|
||||
|
||||
/// Sets a custom pseudo-transient continuation configuration, or disables
|
||||
/// the stage with `None`. See [`PtcConfig`] for the stage semantics.
|
||||
pub fn with_ptc(mut self, config: Option<PtcConfig>) -> Self {
|
||||
self.ptc_config = config;
|
||||
self
|
||||
}
|
||||
|
||||
/// Sets a custom Powell dogleg trust-region configuration, or disables the
|
||||
/// stage with `None`. See [`TrustRegionConfig`] for the stage semantics.
|
||||
pub fn with_trust_region(mut self, config: Option<TrustRegionConfig>) -> Self {
|
||||
self.trust_region_config = config;
|
||||
self
|
||||
}
|
||||
|
||||
/// Sets the initial state for cold-start solving (Story 4.6 — builder pattern).
|
||||
///
|
||||
/// Delegates to `newton_config`, `picard_config`, and the optional homotopy
|
||||
@@ -249,6 +284,12 @@ impl FallbackSolver {
|
||||
pub fn with_initial_state(mut self, state: Vec<f64>) -> Self {
|
||||
self.newton_config.initial_state = Some(state.clone());
|
||||
self.picard_config.initial_state = Some(state.clone());
|
||||
if let Some(ref mut p) = self.ptc_config {
|
||||
p.initial_state = Some(state.clone());
|
||||
}
|
||||
if let Some(ref mut tr) = self.trust_region_config {
|
||||
tr.initial_state = Some(state.clone());
|
||||
}
|
||||
if let Some(ref mut h) = self.homotopy_config {
|
||||
h.initial_state = Some(state);
|
||||
}
|
||||
@@ -390,7 +431,18 @@ impl FallbackSolver {
|
||||
return Err(SolverError::Timeout { timeout_ms }
|
||||
.with_optional_diagnostics(child_diagnostics));
|
||||
}
|
||||
SolverError::Divergence { reason } => {
|
||||
divergence_like @ (SolverError::Divergence { .. }
|
||||
| SolverError::DomainViolation(_)) => {
|
||||
// Recoverable-exhaustion failures (DomainViolation)
|
||||
// are recovery-eligible, like divergence: switch
|
||||
// strategy or attempt the PTC/trust-region/homotopy
|
||||
// cascade instead of propagating immediately.
|
||||
let reason =
|
||||
if let SolverError::Divergence { reason } = &divergence_like {
|
||||
reason.clone()
|
||||
} else {
|
||||
divergence_like.to_string()
|
||||
};
|
||||
// Handle divergence based on current solver and state
|
||||
if !self.config.fallback_enabled {
|
||||
tracing::info!(
|
||||
@@ -401,8 +453,9 @@ impl FallbackSolver {
|
||||
reason = reason,
|
||||
"Divergence detected, fallback disabled"
|
||||
);
|
||||
return Err(SolverError::Divergence { reason }
|
||||
.with_optional_diagnostics(child_diagnostics));
|
||||
return Err(
|
||||
divergence_like.with_optional_diagnostics(child_diagnostics)
|
||||
);
|
||||
}
|
||||
|
||||
match state.current_solver {
|
||||
@@ -497,7 +550,7 @@ impl FallbackSolver {
|
||||
reason = reason,
|
||||
"Picard diverged, no more fallbacks available"
|
||||
);
|
||||
return Err(SolverError::Divergence { reason }
|
||||
return Err(divergence_like
|
||||
.with_optional_diagnostics(child_diagnostics));
|
||||
}
|
||||
}
|
||||
@@ -668,6 +721,123 @@ impl FallbackSolver {
|
||||
}
|
||||
}
|
||||
|
||||
/// Attempts pseudo-transient continuation after the primary Newton/Picard
|
||||
/// stages have failed, before falling back to homotopy continuation.
|
||||
///
|
||||
/// Returns the PTC result on success; otherwise returns the *primary* error
|
||||
/// (the PTC failure is logged but not surfaced, like the homotopy stage).
|
||||
/// Structural `InvalidSystem` errors are never retried.
|
||||
fn try_ptc_recovery(
|
||||
&self,
|
||||
system: &mut System,
|
||||
primary_err: SolverError,
|
||||
remaining: Option<Duration>,
|
||||
) -> Result<ConvergedState, SolverError> {
|
||||
if matches!(primary_err.base_error(), SolverError::InvalidSystem { .. }) {
|
||||
return Err(primary_err);
|
||||
}
|
||||
|
||||
let Some(mut ptc) = self.ptc_config.clone() else {
|
||||
return Err(primary_err);
|
||||
};
|
||||
|
||||
// Share the cold start with the primary solvers unless explicitly set.
|
||||
if ptc.initial_state.is_none() {
|
||||
ptc.initial_state = self.newton_config.initial_state.clone();
|
||||
}
|
||||
// Clamp the stage budget to the remaining global time budget: the
|
||||
// cascade shares ONE time budget across all stages — the tighter of
|
||||
// the stage's own timeout and what is left of the global budget wins.
|
||||
ptc.timeout = match (ptc.timeout, remaining) {
|
||||
(Some(t), Some(rem)) => Some(t.min(rem)),
|
||||
(None, rem) => rem,
|
||||
(t, None) => t,
|
||||
};
|
||||
|
||||
tracing::info!(
|
||||
error = %primary_err,
|
||||
"Primary solvers failed; attempting pseudo-transient continuation"
|
||||
);
|
||||
|
||||
match ptc.solve(system) {
|
||||
Ok(converged) => {
|
||||
tracing::info!(
|
||||
iterations = converged.iterations,
|
||||
final_residual = converged.final_residual,
|
||||
"PTC recovered convergence"
|
||||
);
|
||||
Ok(converged)
|
||||
}
|
||||
Err(ptc_err) => {
|
||||
tracing::warn!(
|
||||
error = %ptc_err,
|
||||
"PTC also failed; returning primary error"
|
||||
);
|
||||
Err(primary_err)
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
/// Attempts the Powell dogleg trust-region stage after PTC has failed,
|
||||
/// before the homotopy stage. Trust-region is more effective than PTC when
|
||||
/// Newton stagnates *near* a root (PTC's timestep collapses there because
|
||||
/// the regularized step is too short to make progress).
|
||||
///
|
||||
/// Returns the trust-region result on success; otherwise returns the
|
||||
/// *primary* error (the trust-region failure is logged but not surfaced,
|
||||
/// like the homotopy stage). Structural `InvalidSystem` errors are never
|
||||
/// retried.
|
||||
fn try_trust_region_recovery(
|
||||
&self,
|
||||
system: &mut System,
|
||||
primary_err: SolverError,
|
||||
remaining: Option<Duration>,
|
||||
) -> Result<ConvergedState, SolverError> {
|
||||
if matches!(primary_err.base_error(), SolverError::InvalidSystem { .. }) {
|
||||
return Err(primary_err);
|
||||
}
|
||||
|
||||
let Some(mut tr) = self.trust_region_config.clone() else {
|
||||
return Err(primary_err);
|
||||
};
|
||||
|
||||
// Share the cold start with the primary solvers unless explicitly set.
|
||||
if tr.initial_state.is_none() {
|
||||
tr.initial_state = self.newton_config.initial_state.clone();
|
||||
}
|
||||
// Clamp the stage budget to the remaining global time budget: the
|
||||
// cascade shares ONE time budget across all stages — the tighter of
|
||||
// the stage's own timeout and what is left of the global budget wins.
|
||||
tr.timeout = match (tr.timeout, remaining) {
|
||||
(Some(t), Some(rem)) => Some(t.min(rem)),
|
||||
(None, rem) => rem,
|
||||
(t, None) => t,
|
||||
};
|
||||
|
||||
tracing::info!(
|
||||
error = %primary_err,
|
||||
"PTC failed; attempting Powell dogleg trust-region continuation"
|
||||
);
|
||||
|
||||
match tr.solve(system) {
|
||||
Ok(converged) => {
|
||||
tracing::info!(
|
||||
iterations = converged.iterations,
|
||||
final_residual = converged.final_residual,
|
||||
"Trust-region continuation recovered convergence"
|
||||
);
|
||||
Ok(converged)
|
||||
}
|
||||
Err(tr_err) => {
|
||||
tracing::warn!(
|
||||
error = %tr_err,
|
||||
"Trust-region continuation also failed; returning primary error"
|
||||
);
|
||||
Err(primary_err)
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
/// Attempts Newton-homotopy continuation as a last-resort recovery after the
|
||||
/// primary Newton/Picard stages have failed.
|
||||
///
|
||||
@@ -694,10 +864,14 @@ impl FallbackSolver {
|
||||
if homotopy.initial_state.is_none() {
|
||||
homotopy.initial_state = self.newton_config.initial_state.clone();
|
||||
}
|
||||
// Inherit the remaining global time budget if the stage has none.
|
||||
if homotopy.timeout.is_none() {
|
||||
homotopy.timeout = remaining;
|
||||
}
|
||||
// Clamp the stage budget to the remaining global time budget: the
|
||||
// cascade shares ONE time budget across all stages — the tighter of
|
||||
// the stage's own timeout and what is left of the global budget wins.
|
||||
homotopy.timeout = match (homotopy.timeout, remaining) {
|
||||
(Some(t), Some(rem)) => Some(t.min(rem)),
|
||||
(None, rem) => rem,
|
||||
(t, None) => t,
|
||||
};
|
||||
|
||||
tracing::info!(
|
||||
error = %primary_err,
|
||||
@@ -764,7 +938,20 @@ impl Solver for FallbackSolver {
|
||||
Ok(converged) => Ok(converged),
|
||||
Err(primary_err) => {
|
||||
let remaining = timeout.map(|t| t.saturating_sub(start_time.elapsed()));
|
||||
self.try_homotopy_recovery(system, primary_err, remaining)
|
||||
match self.try_ptc_recovery(system, primary_err.clone(), remaining) {
|
||||
Ok(converged) => Ok(converged),
|
||||
Err(ptc_err) => {
|
||||
let remaining = timeout.map(|t| t.saturating_sub(start_time.elapsed()));
|
||||
match self.try_trust_region_recovery(system, ptc_err.clone(), remaining) {
|
||||
Ok(converged) => Ok(converged),
|
||||
Err(tr_err) => {
|
||||
let remaining =
|
||||
timeout.map(|t| t.saturating_sub(start_time.elapsed()));
|
||||
self.try_homotopy_recovery(system, tr_err, remaining)
|
||||
}
|
||||
}
|
||||
}
|
||||
}
|
||||
}
|
||||
}
|
||||
}
|
||||
@@ -772,6 +959,12 @@ impl Solver for FallbackSolver {
|
||||
fn with_timeout(mut self, timeout: Duration) -> Self {
|
||||
self.newton_config.timeout = Some(timeout);
|
||||
self.picard_config.timeout = Some(timeout);
|
||||
if let Some(ref mut p) = self.ptc_config {
|
||||
p.timeout = Some(timeout);
|
||||
}
|
||||
if let Some(ref mut tr) = self.trust_region_config {
|
||||
tr.timeout = Some(timeout);
|
||||
}
|
||||
if let Some(ref mut h) = self.homotopy_config {
|
||||
h.timeout = Some(timeout);
|
||||
}
|
||||
|
||||
@@ -157,6 +157,7 @@ impl HomotopyConfig {
|
||||
jacobian_condition: None,
|
||||
max_residual_index,
|
||||
max_residual,
|
||||
recoverable_events: 0,
|
||||
});
|
||||
Some(diagnostics)
|
||||
}
|
||||
@@ -179,13 +180,22 @@ impl HomotopyConfig {
|
||||
residuals_h: &mut Vec<f64>,
|
||||
jacobian: &mut JacobianMatrix,
|
||||
jacobian_builder: &mut JacobianBuilder,
|
||||
) -> Result<usize, ()> {
|
||||
) -> Result<usize, Option<SolverError>> {
|
||||
let offset = 1.0 - lambda;
|
||||
|
||||
for k in 0..self.inner_max_iterations {
|
||||
// Evaluate F(x) and form the homotopy residual H = F − (1 − λ)·r0.
|
||||
if system.compute_residuals(state, residuals).is_err() {
|
||||
return Err(());
|
||||
// Recoverable domain violations shrink λ (KINSOL convention, Story
|
||||
// 1.3); fatal errors abort the whole homotopy immediately instead
|
||||
// of burning the λ budget on a bug.
|
||||
if let Err(e) = system.compute_residuals(state, residuals) {
|
||||
return Err(if e.is_recoverable() {
|
||||
None
|
||||
} else {
|
||||
Some(SolverError::InvalidSystem {
|
||||
message: format!("Failed to compute residuals: {:?}", e),
|
||||
})
|
||||
});
|
||||
}
|
||||
for i in 0..residuals.len() {
|
||||
residuals_h[i] = residuals[i] - offset * r0[i];
|
||||
@@ -196,7 +206,7 @@ impl HomotopyConfig {
|
||||
return Ok(k);
|
||||
}
|
||||
if !norm.is_finite() || norm > self.divergence_threshold {
|
||||
return Err(());
|
||||
return Err(None);
|
||||
}
|
||||
|
||||
// ∂H/∂x = ∂F/∂x, so the Jacobian of F is used unchanged.
|
||||
@@ -211,12 +221,18 @@ impl HomotopyConfig {
|
||||
};
|
||||
match JacobianMatrix::numerical(compute, state, residuals.as_slice(), eps) {
|
||||
Ok(jm) => jacobian.as_matrix_mut().copy_from(jm.as_matrix()),
|
||||
Err(_) => return Err(()),
|
||||
Err(_) => return Err(None),
|
||||
}
|
||||
} else {
|
||||
jacobian_builder.clear();
|
||||
if system.assemble_jacobian(state, jacobian_builder).is_err() {
|
||||
return Err(());
|
||||
if let Err(e) = system.assemble_jacobian(state, jacobian_builder) {
|
||||
return Err(if e.is_recoverable() {
|
||||
None
|
||||
} else {
|
||||
Some(SolverError::InvalidSystem {
|
||||
message: format!("Failed to assemble Jacobian: {:?}", e),
|
||||
})
|
||||
});
|
||||
}
|
||||
jacobian.update_from_builder(jacobian_builder.entries());
|
||||
}
|
||||
@@ -224,15 +240,21 @@ impl HomotopyConfig {
|
||||
// Solve J·Δx = −H (the solve routine negates the supplied residual).
|
||||
let delta = match jacobian.solve(residuals_h.as_slice()) {
|
||||
Some(d) => d,
|
||||
None => return Err(()),
|
||||
None => return Err(None),
|
||||
};
|
||||
|
||||
apply_newton_step(state, &delta, clipping_mask, 1.0);
|
||||
}
|
||||
|
||||
// Final convergence check after the last step.
|
||||
if system.compute_residuals(state, residuals).is_err() {
|
||||
return Err(());
|
||||
if let Err(e) = system.compute_residuals(state, residuals) {
|
||||
return Err(if e.is_recoverable() {
|
||||
None
|
||||
} else {
|
||||
Some(SolverError::InvalidSystem {
|
||||
message: format!("Failed to compute residuals: {:?}", e),
|
||||
})
|
||||
});
|
||||
}
|
||||
for i in 0..residuals.len() {
|
||||
residuals_h[i] = residuals[i] - offset * r0[i];
|
||||
@@ -240,7 +262,7 @@ impl HomotopyConfig {
|
||||
if Self::residual_norm(residuals_h.as_slice()) < self.inner_tolerance {
|
||||
Ok(self.inner_max_iterations)
|
||||
} else {
|
||||
Err(())
|
||||
Err(None)
|
||||
}
|
||||
}
|
||||
}
|
||||
@@ -373,13 +395,11 @@ impl Solver for HomotopyConfig {
|
||||
// Step succeeded: gently grow the increment for the next step.
|
||||
dlambda = (dlambda * 1.5).min(max_step);
|
||||
}
|
||||
Err(()) => {
|
||||
// Step failed: restore and halve the increment, then retry.
|
||||
Err(None) => {
|
||||
// Step failed (recoverable): restore and halve the increment, then retry.
|
||||
state.copy_from_slice(&state_saved);
|
||||
dlambda *= 0.5;
|
||||
if dlambda < min_lambda_step {
|
||||
// Report the residual at the restored (last-good) state so
|
||||
// final_residual matches the state we actually return from.
|
||||
let compute_ok = system.compute_residuals(&state, &mut residuals).is_ok();
|
||||
let final_residual = if compute_ok {
|
||||
Self::residual_norm(&residuals)
|
||||
@@ -399,6 +419,10 @@ impl Solver for HomotopyConfig {
|
||||
.with_optional_diagnostics(diagnostics));
|
||||
}
|
||||
}
|
||||
Err(Some(fatal)) => {
|
||||
// Fatal evaluation error: do not burn the λ budget on it.
|
||||
return Err(fatal);
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
@@ -23,12 +23,16 @@
|
||||
mod fallback;
|
||||
mod homotopy;
|
||||
mod newton_raphson;
|
||||
mod pseudo_transient;
|
||||
mod sequential_substitution;
|
||||
mod trust_region;
|
||||
|
||||
pub use fallback::{FallbackConfig, FallbackSolver};
|
||||
pub use homotopy::HomotopyConfig;
|
||||
pub use newton_raphson::NewtonConfig;
|
||||
pub use pseudo_transient::PtcConfig;
|
||||
pub use sequential_substitution::PicardConfig;
|
||||
pub use trust_region::TrustRegionConfig;
|
||||
|
||||
use crate::solver::{ConvergedState, Solver, SolverError};
|
||||
use crate::system::System;
|
||||
|
||||
@@ -14,7 +14,8 @@ use crate::solver::{
|
||||
SolverType, TimeoutConfig, VerboseConfig,
|
||||
};
|
||||
use crate::system::System;
|
||||
use entropyk_components::JacobianBuilder;
|
||||
use entropyk_components::{ComponentError, JacobianBuilder};
|
||||
use entropyk_solver_core::{DomainViolation, LinearSolver};
|
||||
|
||||
/// Configuration for the Newton-Raphson solver.
|
||||
///
|
||||
@@ -180,6 +181,11 @@ impl NewtonConfig {
|
||||
|
||||
/// Performs Armijo line search. Returns Some(alpha) if valid step found.
|
||||
/// hot path. `state_copy` and `new_residuals` must have appropriate lengths.
|
||||
///
|
||||
/// Recoverable component domain violations (KINSOL `> 0`, see
|
||||
/// [`ComponentError::is_recoverable`]) shrink the step and are counted in
|
||||
/// `recoverable_events` for the iteration diagnostics; a fatal evaluation
|
||||
/// error aborts the search immediately instead of burning backtracks.
|
||||
#[allow(clippy::too_many_arguments)]
|
||||
fn line_search(
|
||||
&self,
|
||||
@@ -191,7 +197,8 @@ impl NewtonConfig {
|
||||
state_copy: &mut [f64],
|
||||
new_residuals: &mut Vec<f64>,
|
||||
clipping_mask: &[Option<(f64, f64)>],
|
||||
) -> Option<f64> {
|
||||
recoverable_events: &mut u32,
|
||||
) -> Result<Option<f64>, SolverError> {
|
||||
let mut alpha: f64 = 1.0;
|
||||
state_copy.copy_from_slice(state);
|
||||
let gradient_dot_delta = -current_norm;
|
||||
@@ -199,10 +206,18 @@ impl NewtonConfig {
|
||||
for _backtrack in 0..self.line_search_max_backtracks {
|
||||
apply_newton_step(state, delta, clipping_mask, alpha);
|
||||
|
||||
if system.compute_residuals(state, new_residuals).is_err() {
|
||||
if let Err(e) = system.compute_residuals(state, new_residuals) {
|
||||
state.copy_from_slice(state_copy);
|
||||
alpha *= 0.5;
|
||||
continue;
|
||||
if e.is_recoverable() {
|
||||
// Recoverable domain violation (KINSOL > 0): shrink and retry.
|
||||
alpha *= 0.5;
|
||||
*recoverable_events += 1;
|
||||
continue;
|
||||
}
|
||||
// Fatal evaluation error: abort without burning backtracks.
|
||||
return Err(SolverError::InvalidSystem {
|
||||
message: format!("Failed to compute residuals: {:?}", e),
|
||||
});
|
||||
}
|
||||
|
||||
let new_norm = Self::residual_norm(new_residuals);
|
||||
@@ -213,7 +228,7 @@ impl NewtonConfig {
|
||||
new_norm,
|
||||
"Line search accepted"
|
||||
);
|
||||
return Some(alpha);
|
||||
return Ok(Some(alpha));
|
||||
}
|
||||
|
||||
state.copy_from_slice(state_copy);
|
||||
@@ -224,7 +239,7 @@ impl NewtonConfig {
|
||||
"Line search failed after {} backtracks",
|
||||
self.line_search_max_backtracks
|
||||
);
|
||||
None
|
||||
Ok(None)
|
||||
}
|
||||
|
||||
fn finalize_failure_diagnostics(
|
||||
@@ -330,6 +345,17 @@ impl Solver for NewtonConfig {
|
||||
let mut frozen_count: usize = 0;
|
||||
let mut force_recompute: bool = true;
|
||||
|
||||
// LinearSolver backend (FR3): factorizes at each fresh assembly and
|
||||
// reuses the factorization (with cached scalings) across frozen
|
||||
// iterations and repeated solves — bit-identical to JacobianMatrix::solve.
|
||||
let mut linear_backend = crate::linear::NalgebraLuSolver::new();
|
||||
linear_backend
|
||||
.set_problem(n_equations, n_state)
|
||||
.map_err(|e| SolverError::InvalidSystem {
|
||||
message: format!("Failed to initialize linear backend: {e}"),
|
||||
})?;
|
||||
let mut delta_buf: Vec<f64> = vec![0.0; n_state];
|
||||
|
||||
// Cached condition number (for verbose mode when Jacobian frozen)
|
||||
let mut cached_condition: Option<f64> = None;
|
||||
|
||||
@@ -338,17 +364,47 @@ impl Solver for NewtonConfig {
|
||||
.map(|i| system.get_solver_bounds_for_state_index(i))
|
||||
.collect();
|
||||
|
||||
// Initial residual computation
|
||||
// Initial residual computation. A recoverable domain violation at the
|
||||
// cold start is a typed outcome; fatal errors stay InvalidSystem.
|
||||
system
|
||||
.compute_residuals(&state, &mut residuals)
|
||||
.map_err(|e| SolverError::InvalidSystem {
|
||||
message: format!("Failed to compute initial residuals: {:?}", e),
|
||||
.map_err(|e| match e {
|
||||
ComponentError::DomainViolation(violation) => {
|
||||
SolverError::DomainViolation(violation)
|
||||
}
|
||||
fatal => SolverError::InvalidSystem {
|
||||
message: format!("Failed to compute initial residuals: {:?}", fatal),
|
||||
},
|
||||
})?;
|
||||
|
||||
let mut current_norm = Self::residual_norm(&residuals);
|
||||
best_state.copy_from_slice(&state);
|
||||
best_residual = current_norm;
|
||||
|
||||
// Optional per-equation residual dump (debugging aid, controlled by env
|
||||
// var so production runs are unaffected). Prints the 8 largest-magnitude
|
||||
// residuals at the cold start so we can pinpoint which component / state
|
||||
// slot dominates the residual norm — exactly the NLPD "bottleneck
|
||||
// equation" diagnostic but at the solver entry point.
|
||||
if std::env::var("ENTROPYK_DUMP_RESIDUALS").is_ok() {
|
||||
let mut indexed: Vec<(usize, f64)> = residuals
|
||||
.iter()
|
||||
.enumerate()
|
||||
.map(|(i, &r)| (i, r.abs()))
|
||||
.collect();
|
||||
indexed.sort_by(|a, b| b.1.partial_cmp(&a.1).unwrap_or(std::cmp::Ordering::Equal));
|
||||
tracing::info!(
|
||||
residual_norm = current_norm,
|
||||
top_residuals = ?indexed
|
||||
.iter()
|
||||
.take(8)
|
||||
.map(|(i, v)| format!("[{i}]={v:.4e}"))
|
||||
.collect::<Vec<_>>()
|
||||
.join(" "),
|
||||
"Initial residual breakdown (top 8 by magnitude)"
|
||||
);
|
||||
}
|
||||
|
||||
tracing::debug!(iteration = 0, residual_norm = current_norm, "Initial state");
|
||||
|
||||
// Check if already converged
|
||||
@@ -458,6 +514,14 @@ impl Solver for NewtonConfig {
|
||||
jacobian_matrix.update_from_builder(jacobian_builder.entries());
|
||||
};
|
||||
|
||||
// Feed the LinearSolver backend with the freshly assembled
|
||||
// matrix (assembles + factorizes; frozen iterations skip this).
|
||||
linear_backend
|
||||
.set_matrix(jacobian_matrix.as_matrix())
|
||||
.map_err(|e| SolverError::InvalidSystem {
|
||||
message: format!("Failed to factorize Jacobian: {e}"),
|
||||
})?;
|
||||
|
||||
frozen_count = 0;
|
||||
force_recompute = false;
|
||||
|
||||
@@ -487,27 +551,55 @@ impl Solver for NewtonConfig {
|
||||
tracing::debug!(iteration, frozen_count, "Reusing frozen Jacobian");
|
||||
}
|
||||
|
||||
// Solve J·Δx = -r
|
||||
let delta = match jacobian_matrix.solve(&residuals) {
|
||||
Some(d) => d,
|
||||
None => {
|
||||
let failure_diagnostics = self.finalize_failure_diagnostics(
|
||||
diagnostics.take(),
|
||||
iteration,
|
||||
current_norm,
|
||||
best_residual,
|
||||
start_time.elapsed().as_millis() as u64,
|
||||
cached_condition,
|
||||
Some(state.clone()),
|
||||
);
|
||||
return Err(SolverError::Divergence {
|
||||
reason: "Jacobian is singular".to_string(),
|
||||
// Solve J·Δx = -r through the LinearSolver backend (FR3). The
|
||||
// factorization is fresh when assembled above and reused when the
|
||||
// Jacobian is frozen. Non-square systems keep the legacy
|
||||
// least-squares path.
|
||||
let delta = if n_equations != n_state {
|
||||
match jacobian_matrix.solve(&residuals) {
|
||||
Some(d) => d,
|
||||
None => {
|
||||
let failure_diagnostics = self.finalize_failure_diagnostics(
|
||||
diagnostics.take(),
|
||||
iteration,
|
||||
current_norm,
|
||||
best_residual,
|
||||
start_time.elapsed().as_millis() as u64,
|
||||
cached_condition,
|
||||
Some(state.clone()),
|
||||
);
|
||||
return Err(SolverError::Divergence {
|
||||
reason: "Jacobian is singular".to_string(),
|
||||
}
|
||||
.with_optional_diagnostics(failure_diagnostics));
|
||||
}
|
||||
}
|
||||
} else {
|
||||
for (d, r) in delta_buf.iter_mut().zip(residuals.iter()) {
|
||||
*d = -*r;
|
||||
}
|
||||
match linear_backend.solve_in_place(&mut delta_buf) {
|
||||
Ok(()) => delta_buf.clone(),
|
||||
Err(_) => {
|
||||
let failure_diagnostics = self.finalize_failure_diagnostics(
|
||||
diagnostics.take(),
|
||||
iteration,
|
||||
current_norm,
|
||||
best_residual,
|
||||
start_time.elapsed().as_millis() as u64,
|
||||
cached_condition,
|
||||
Some(state.clone()),
|
||||
);
|
||||
return Err(SolverError::Divergence {
|
||||
reason: "Jacobian is singular".to_string(),
|
||||
}
|
||||
.with_optional_diagnostics(failure_diagnostics));
|
||||
}
|
||||
.with_optional_diagnostics(failure_diagnostics));
|
||||
}
|
||||
};
|
||||
|
||||
// Apply step with optional line search
|
||||
let mut recoverable_events = 0u32;
|
||||
let alpha = if self.line_search {
|
||||
match self.line_search(
|
||||
system,
|
||||
@@ -518,7 +610,8 @@ impl Solver for NewtonConfig {
|
||||
&mut state_copy,
|
||||
&mut new_residuals,
|
||||
&clipping_mask,
|
||||
) {
|
||||
&mut recoverable_events,
|
||||
)? {
|
||||
Some(a) => a,
|
||||
None => {
|
||||
let failure_diagnostics = self.finalize_failure_diagnostics(
|
||||
@@ -530,6 +623,17 @@ impl Solver for NewtonConfig {
|
||||
cached_condition,
|
||||
Some(state.clone()),
|
||||
);
|
||||
// Backtracks exhausted on recoverable domain violations:
|
||||
// a typed outcome, not an untyped stall (AC #2).
|
||||
if recoverable_events > 0 {
|
||||
return Err(SolverError::DomainViolation(DomainViolation {
|
||||
component: None,
|
||||
detail:
|
||||
"line search exhausted after recoverable domain violation(s)"
|
||||
.into(),
|
||||
})
|
||||
.with_optional_diagnostics(failure_diagnostics));
|
||||
}
|
||||
return Err(SolverError::Divergence {
|
||||
reason: "Line search failed".to_string(),
|
||||
}
|
||||
@@ -543,8 +647,13 @@ impl Solver for NewtonConfig {
|
||||
|
||||
system
|
||||
.compute_residuals(&state, &mut residuals)
|
||||
.map_err(|e| SolverError::InvalidSystem {
|
||||
message: format!("Failed to compute residuals: {:?}", e),
|
||||
.map_err(|e| match e {
|
||||
ComponentError::DomainViolation(violation) => {
|
||||
SolverError::DomainViolation(violation)
|
||||
}
|
||||
fatal => SolverError::InvalidSystem {
|
||||
message: format!("Failed to compute residuals: {:?}", fatal),
|
||||
},
|
||||
})?;
|
||||
|
||||
previous_norm = current_norm;
|
||||
@@ -606,6 +715,7 @@ impl Solver for NewtonConfig {
|
||||
jacobian_condition: cached_condition,
|
||||
max_residual_index,
|
||||
max_residual,
|
||||
recoverable_events,
|
||||
});
|
||||
}
|
||||
|
||||
|
||||
334
crates/solver/src/strategies/pseudo_transient.rs
Normal file
334
crates/solver/src/strategies/pseudo_transient.rs
Normal file
@@ -0,0 +1,334 @@
|
||||
//! Pseudo-transient continuation (PTC / Ψtc) globalization.
|
||||
//!
|
||||
//! When Newton-with-line-search stagnates at a local minimum of ‖F‖ — the
|
||||
//! classic failure on fully-coupled vapor-compression systems with two-phase
|
||||
//! pressure drops at high EXV opening — PTC walks the physical relaxation
|
||||
//! dynamics instead of minimizing ‖F‖ along a line. Each iteration is one
|
||||
//! linearized implicit Euler step of the fictitious dynamics `x′ = −F(x)`:
|
||||
//!
|
||||
//! ```text
|
||||
//! (δ⁻¹·I + J(x))·s = −F(x), x ← x + s
|
||||
//! ```
|
||||
//!
|
||||
//! with the timestep δ grown by the Switched Evolution Relaxation (SER) rule
|
||||
//! as the residual shrinks. Small δ far from the solution reconditions the
|
||||
//! near-singular momentum block (orifice ↔ two-phase ΔP) and bounds the step;
|
||||
//! δ → ∞ recovers exact Newton with quadratic terminal convergence.
|
||||
//!
|
||||
//! References: Kelley & Keyes, *Convergence Analysis of Pseudo-transient
|
||||
//! Continuation*, SIAM J. Numer. Anal. 35:508–523 (1998); Mulder & Van Leer
|
||||
//! (1985) for the SER rule; PETSc `TSPSEUDO` for the incremental SER variant.
|
||||
|
||||
use crate::jacobian::JacobianMatrix;
|
||||
use crate::metadata::SimulationMetadata;
|
||||
use crate::solver::{apply_newton_step, ConvergedState, ConvergenceStatus, Solver, SolverError};
|
||||
use crate::system::System;
|
||||
use entropyk_components::JacobianBuilder;
|
||||
use entropyk_solver_core::LinearSolver;
|
||||
use std::time::{Duration, Instant};
|
||||
|
||||
/// Configuration for pseudo-transient continuation.
|
||||
///
|
||||
/// Used as a globalization stage of [`super::FallbackSolver`]: only invoked
|
||||
/// when the primary Newton/Picard stages fail, so it never perturbs problems
|
||||
/// that already converge.
|
||||
#[derive(Debug, Clone, PartialEq)]
|
||||
pub struct PtcConfig {
|
||||
/// Maximum PTC iterations.
|
||||
pub max_iterations: usize,
|
||||
/// Convergence tolerance on the residual L2 norm.
|
||||
pub tolerance: f64,
|
||||
/// Initial timestep δ₀ (in scaled-residual units). Small δ₀ regularizes
|
||||
/// the first steps; too small wastes iterations in the induction phase.
|
||||
pub delta0: f64,
|
||||
/// SER growth factor (> 1). Controls how fast δ grows as ‖F‖ shrinks.
|
||||
pub growth: f64,
|
||||
/// Maximum timestep before the diagonal shift is negligible (pure Newton).
|
||||
pub delta_max: f64,
|
||||
/// Timestep shrink factor on rejected steps (< 1).
|
||||
pub shrink: f64,
|
||||
/// Minimum timestep: if δ falls below this after repeated rejections the
|
||||
/// method has failed (detectable failure mode, Kelley-Keyes Thm 2.3).
|
||||
pub delta_min: f64,
|
||||
/// Optional initial state (cold start shared with the primary solvers).
|
||||
pub initial_state: Option<Vec<f64>>,
|
||||
/// Optional timeout.
|
||||
pub timeout: Option<Duration>,
|
||||
}
|
||||
|
||||
impl Default for PtcConfig {
|
||||
fn default() -> Self {
|
||||
Self {
|
||||
max_iterations: 200,
|
||||
tolerance: 1e-6,
|
||||
delta0: 1e-3,
|
||||
growth: 1.5,
|
||||
delta_max: 1e9,
|
||||
shrink: 0.25,
|
||||
delta_min: 1e-12,
|
||||
initial_state: None,
|
||||
timeout: None,
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
impl PtcConfig {
|
||||
/// L2 residual norm, consistent with the other strategies.
|
||||
fn residual_norm(residuals: &[f64]) -> f64 {
|
||||
let norm = residuals.iter().map(|r| r * r).sum::<f64>().sqrt();
|
||||
if norm.is_finite() {
|
||||
norm
|
||||
} else {
|
||||
f64::MAX
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
impl Solver for PtcConfig {
|
||||
fn solve(&mut self, system: &mut System) -> Result<ConvergedState, SolverError> {
|
||||
let start_time = Instant::now();
|
||||
|
||||
let n_state = system.full_state_vector_len();
|
||||
let n_equations: usize = system
|
||||
.traverse_for_jacobian()
|
||||
.map(|(_, c, _)| c.n_equations())
|
||||
.sum::<usize>()
|
||||
+ system.constraints().count()
|
||||
+ system.coupling_residual_count()
|
||||
+ 2 * system.saturated_controller_count()
|
||||
+ system.mass_flow_closure_count();
|
||||
|
||||
if n_state == 0 || n_equations == 0 {
|
||||
return Err(SolverError::InvalidSystem {
|
||||
message: "Empty system has no state variables or equations".to_string(),
|
||||
});
|
||||
}
|
||||
|
||||
let mut state: Vec<f64> = match self.initial_state.as_ref() {
|
||||
Some(s) if s.len() == n_state => s.clone(),
|
||||
Some(s) => {
|
||||
return Err(SolverError::InvalidSystem {
|
||||
message: format!(
|
||||
"initial_state length {} does not match system state length {}",
|
||||
s.len(),
|
||||
n_state
|
||||
),
|
||||
});
|
||||
}
|
||||
None => vec![0.0; n_state],
|
||||
};
|
||||
let mut residuals: Vec<f64> = vec![0.0; n_equations];
|
||||
let mut saved_state: Vec<f64> = vec![0.0; n_state];
|
||||
let mut jacobian_builder = JacobianBuilder::new();
|
||||
let mut jacobian_matrix = JacobianMatrix::zeros(n_equations, n_state);
|
||||
|
||||
// LinearSolver backend (FR3): factorizes at each fresh assembly;
|
||||
// bit-identical to JacobianMatrix::solve.
|
||||
let mut linear_backend = crate::linear::NalgebraLuSolver::new();
|
||||
linear_backend
|
||||
.set_problem(n_equations, n_state)
|
||||
.map_err(|e| SolverError::InvalidSystem {
|
||||
message: format!("Failed to initialize linear backend: {e}"),
|
||||
})?;
|
||||
let mut step_buf: Vec<f64> = vec![0.0; n_state];
|
||||
|
||||
let clipping_mask: Vec<Option<(f64, f64)>> = (0..n_state)
|
||||
.map(|i| system.get_solver_bounds_for_state_index(i))
|
||||
.collect();
|
||||
|
||||
system
|
||||
.compute_residuals(&state, &mut residuals)
|
||||
.map_err(|e| SolverError::InvalidSystem {
|
||||
message: format!("Failed to compute initial residuals: {:?}", e),
|
||||
})?;
|
||||
let mut current_norm = Self::residual_norm(&residuals);
|
||||
let mut prev_norm = current_norm;
|
||||
|
||||
tracing::info!(
|
||||
max_iterations = self.max_iterations,
|
||||
tolerance = self.tolerance,
|
||||
delta0 = self.delta0,
|
||||
residual_norm = current_norm,
|
||||
"Pseudo-transient continuation starting"
|
||||
);
|
||||
|
||||
if current_norm < self.tolerance {
|
||||
return Ok(ConvergedState::new(
|
||||
state,
|
||||
0,
|
||||
current_norm,
|
||||
ConvergenceStatus::Converged,
|
||||
SimulationMetadata::new(system.input_hash()),
|
||||
));
|
||||
}
|
||||
|
||||
let mut delta = self.delta0;
|
||||
|
||||
for iteration in 1..=self.max_iterations {
|
||||
if let Some(timeout) = self.timeout {
|
||||
if start_time.elapsed() > timeout {
|
||||
tracing::info!(iteration, "PTC timed out");
|
||||
return Err(SolverError::Timeout {
|
||||
timeout_ms: timeout.as_millis() as u64,
|
||||
});
|
||||
}
|
||||
}
|
||||
|
||||
// Fresh Jacobian each iteration (δ changes every step anyway).
|
||||
jacobian_builder.clear();
|
||||
system
|
||||
.assemble_jacobian(&state, &mut jacobian_builder)
|
||||
.map_err(|e| SolverError::InvalidSystem {
|
||||
message: format!("Failed to assemble Jacobian: {:?}", e),
|
||||
})?;
|
||||
jacobian_matrix.update_from_builder(jacobian_builder.entries());
|
||||
|
||||
// Diagonal shift: (δ⁻¹·I + J)·s = −F.
|
||||
let shift = 1.0 / delta;
|
||||
{
|
||||
let n = jacobian_matrix.as_matrix().nrows();
|
||||
let m = jacobian_matrix.as_matrix_mut();
|
||||
for i in 0..n {
|
||||
m[(i, i)] += shift;
|
||||
}
|
||||
}
|
||||
|
||||
// Solve through the LinearSolver backend (FR3); non-square keeps
|
||||
// the legacy least-squares path.
|
||||
let step = if n_equations == n_state {
|
||||
linear_backend
|
||||
.set_matrix(jacobian_matrix.as_matrix())
|
||||
.map_err(|e| SolverError::InvalidSystem {
|
||||
message: format!("Failed to factorize Jacobian: {e}"),
|
||||
})?;
|
||||
for (d, r) in step_buf.iter_mut().zip(residuals.iter()) {
|
||||
*d = -*r;
|
||||
}
|
||||
linear_backend
|
||||
.solve_in_place(&mut step_buf)
|
||||
.ok()
|
||||
.map(|_| step_buf.clone())
|
||||
} else {
|
||||
jacobian_matrix.solve(&residuals)
|
||||
};
|
||||
let Some(step) = step else {
|
||||
// Singular even with the shift: shrink and retry without
|
||||
// consuming an iteration of state progress.
|
||||
delta *= self.shrink;
|
||||
if delta < self.delta_min {
|
||||
return Err(SolverError::NonConvergence {
|
||||
iterations: iteration - 1,
|
||||
final_residual: current_norm,
|
||||
});
|
||||
}
|
||||
continue;
|
||||
};
|
||||
|
||||
saved_state.copy_from_slice(&state);
|
||||
// No line search: the δ⁻¹ term already bounds the step.
|
||||
apply_newton_step(&mut state, &step, &clipping_mask, 1.0);
|
||||
|
||||
if let Err(e) = system.compute_residuals(&state, &mut residuals) {
|
||||
if !e.is_recoverable() {
|
||||
// Fatal evaluation error: abort immediately, do not burn
|
||||
// the shrink budget on it.
|
||||
return Err(SolverError::InvalidSystem {
|
||||
message: format!("Failed to compute residuals: {:?}", e),
|
||||
});
|
||||
}
|
||||
// Recoverable domain violation (KINSOL > 0): reject and shrink
|
||||
// (residual undefined).
|
||||
state.copy_from_slice(&saved_state);
|
||||
delta *= self.shrink;
|
||||
if delta < self.delta_min {
|
||||
return Err(SolverError::NonConvergence {
|
||||
iterations: iteration - 1,
|
||||
final_residual: current_norm,
|
||||
});
|
||||
}
|
||||
continue;
|
||||
}
|
||||
current_norm = Self::residual_norm(&residuals);
|
||||
|
||||
tracing::debug!(
|
||||
iteration,
|
||||
residual_norm = current_norm,
|
||||
delta,
|
||||
"PTC iteration"
|
||||
);
|
||||
|
||||
if current_norm < self.tolerance {
|
||||
tracing::info!(
|
||||
iterations = iteration,
|
||||
final_residual = current_norm,
|
||||
"PTC converged"
|
||||
);
|
||||
return Ok(ConvergedState::new(
|
||||
state,
|
||||
iteration,
|
||||
current_norm,
|
||||
ConvergenceStatus::Converged,
|
||||
SimulationMetadata::new(system.input_hash()),
|
||||
));
|
||||
}
|
||||
|
||||
if current_norm > prev_norm {
|
||||
// Reject: restore and cut the timestep.
|
||||
state.copy_from_slice(&saved_state);
|
||||
delta *= self.shrink;
|
||||
tracing::debug!(iteration, delta, "PTC step rejected, shrinking timestep");
|
||||
if delta < self.delta_min {
|
||||
tracing::warn!(
|
||||
iteration,
|
||||
final_residual = current_norm,
|
||||
"PTC timestep collapsed — globalization failed"
|
||||
);
|
||||
return Err(SolverError::NonConvergence {
|
||||
iterations: iteration - 1,
|
||||
final_residual: current_norm,
|
||||
});
|
||||
}
|
||||
continue;
|
||||
}
|
||||
|
||||
// SER incremental rule (PETSc form), bounded by delta_max.
|
||||
delta = (self.growth * delta * prev_norm / current_norm).min(self.delta_max);
|
||||
prev_norm = current_norm;
|
||||
}
|
||||
|
||||
Err(SolverError::NonConvergence {
|
||||
iterations: self.max_iterations,
|
||||
final_residual: current_norm,
|
||||
})
|
||||
}
|
||||
|
||||
fn with_timeout(mut self, timeout: Duration) -> Self {
|
||||
self.timeout = Some(timeout);
|
||||
self
|
||||
}
|
||||
}
|
||||
|
||||
#[cfg(test)]
|
||||
mod tests {
|
||||
use super::*;
|
||||
|
||||
#[test]
|
||||
fn test_ptc_config_defaults() {
|
||||
let cfg = PtcConfig::default();
|
||||
assert_eq!(cfg.max_iterations, 200);
|
||||
assert!(cfg.delta0 > 0.0 && cfg.delta0 < 1.0);
|
||||
assert!(cfg.growth > 1.0);
|
||||
assert!(cfg.delta_max > cfg.delta0);
|
||||
assert!(cfg.shrink > 0.0 && cfg.shrink < 1.0);
|
||||
assert!(cfg.delta_min > 0.0 && cfg.delta_min < cfg.delta0);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_ptc_rejects_empty_system() {
|
||||
let mut system = System::new();
|
||||
system.finalize().unwrap();
|
||||
let mut solver = PtcConfig::default();
|
||||
let result = solver.solve(&mut system);
|
||||
assert!(matches!(result, Err(SolverError::InvalidSystem { .. })));
|
||||
}
|
||||
}
|
||||
@@ -15,6 +15,7 @@ use crate::solver::{
|
||||
IterationDiagnostics, Solver, SolverError, SolverType, TimeoutConfig, VerboseConfig,
|
||||
};
|
||||
use crate::system::System;
|
||||
use entropyk_components::ComponentError;
|
||||
|
||||
/// Configuration for the Sequential Substitution (Picard iteration) solver.
|
||||
///
|
||||
@@ -338,11 +339,17 @@ impl Solver for PicardConfig {
|
||||
let mut best_state: Vec<f64> = vec![0.0; n_state];
|
||||
let mut best_residual: f64;
|
||||
|
||||
// Initial residual computation
|
||||
// Initial residual computation. A recoverable domain violation is a
|
||||
// typed outcome (Picard has no step to shrink); fatal stays InvalidSystem.
|
||||
system
|
||||
.compute_residuals(&state, &mut residuals)
|
||||
.map_err(|e| SolverError::InvalidSystem {
|
||||
message: format!("Failed to compute initial residuals: {:?}", e),
|
||||
.map_err(|e| match e {
|
||||
ComponentError::DomainViolation(violation) => {
|
||||
SolverError::DomainViolation(violation)
|
||||
}
|
||||
fatal => SolverError::InvalidSystem {
|
||||
message: format!("Failed to compute initial residuals: {:?}", fatal),
|
||||
},
|
||||
})?;
|
||||
|
||||
let mut current_norm = Self::residual_norm(&residuals);
|
||||
@@ -419,11 +426,17 @@ impl Solver for PicardConfig {
|
||||
Self::apply_relaxation(&mut state, &residuals, self.relaxation_factor);
|
||||
}
|
||||
|
||||
// Compute new residuals
|
||||
// Compute new residuals. Recoverable domain violation → typed
|
||||
// outcome; fatal → InvalidSystem flattening.
|
||||
system
|
||||
.compute_residuals(&state, &mut residuals)
|
||||
.map_err(|e| SolverError::InvalidSystem {
|
||||
message: format!("Failed to compute residuals: {:?}", e),
|
||||
.map_err(|e| match e {
|
||||
ComponentError::DomainViolation(violation) => {
|
||||
SolverError::DomainViolation(violation)
|
||||
}
|
||||
fatal => SolverError::InvalidSystem {
|
||||
message: format!("Failed to compute residuals: {:?}", fatal),
|
||||
},
|
||||
})?;
|
||||
|
||||
previous_norm = current_norm;
|
||||
@@ -471,6 +484,7 @@ impl Solver for PicardConfig {
|
||||
jacobian_condition: None, // No Jacobian in Picard
|
||||
max_residual_index,
|
||||
max_residual,
|
||||
recoverable_events: 0, // Picard has no step-reduction retry
|
||||
});
|
||||
}
|
||||
|
||||
|
||||
717
crates/solver/src/strategies/trust_region.rs
Normal file
717
crates/solver/src/strategies/trust_region.rs
Normal file
@@ -0,0 +1,717 @@
|
||||
//! Powell dogleg trust-region globalization.
|
||||
//!
|
||||
//! When Newton-with-line-search stagnates near a local minimum of ‖F‖ — the
|
||||
//! signature failure of fully-coupled vapor-compression systems with two-phase
|
||||
//! pressure drops at high EXV opening, where the Newton direction is almost
|
||||
//! orthogonal to the gradient of ‖F‖ and Armijo backtracking collapses to
|
||||
//! infinitesimal steps — trust-region globalization escapes by picking the
|
||||
//! step inside a ball of radius δ that best reduces the linear model
|
||||
//! m(p) = ½‖r + J·p‖². The classic Powell dogleg blends the Newton step n
|
||||
//! (J·n = −r) and the Cauchy (steepest-descent) step c inside the trust region;
|
||||
//! when the Jacobian is singular or ill-conditioned, the step falls back to a
|
||||
//! Levenberg–Marquardt solve (JᵀJ + λI)·p = −Jᵀr, clipped to the region.
|
||||
//! The radius δ is grown/shrunk from the gain ratio ρ of actual vs predicted
|
||||
//! ‖r‖ reduction. The method reuses Entropyk's analytical Jacobian — no finite
|
||||
//! differences — and the same Ruiz-equilibrated LU path as `NewtonConfig`.
|
||||
//!
|
||||
//! References:
|
||||
//! - Nocedal & Wright, *Numerical Optimization* (2nd ed.), ch. 4.6 (dogleg)
|
||||
//! - Madsen, Nielsen & Tingleff, *Methods for Non-Linear Least Squares
|
||||
//! Problems* (2004) — LM with gain ratio
|
||||
//! - Dennis & Schnabel, *Numerical Methods for Unconstrained Optimization*
|
||||
//! - GSL `gsl_multifit_nlinear` hybrid scaled algorithm
|
||||
//! - gomez crate (MIT): <https://github.com/datamole-ai/gomez>
|
||||
|
||||
use std::time::{Duration, Instant};
|
||||
|
||||
use crate::jacobian::JacobianMatrix;
|
||||
use crate::metadata::SimulationMetadata;
|
||||
use crate::solver::{apply_newton_step, ConvergedState, ConvergenceStatus, Solver, SolverError};
|
||||
use crate::system::System;
|
||||
use entropyk_components::JacobianBuilder;
|
||||
use nalgebra::DVector;
|
||||
|
||||
/// Configuration for the Powell dogleg trust-region solver.
|
||||
///
|
||||
/// Used as a globalization stage of [`super::FallbackSolver`]: only invoked
|
||||
/// when the primary Newton/Picard stages fail, so it never perturbs problems
|
||||
/// that already converge. The defaults mirror the well-tested gomez/GSL
|
||||
/// parameterization.
|
||||
#[derive(Debug, Clone, PartialEq)]
|
||||
pub struct TrustRegionConfig {
|
||||
/// Maximum trust-region iterations.
|
||||
pub max_iterations: usize,
|
||||
/// Convergence tolerance on the residual L2 norm.
|
||||
pub tolerance: f64,
|
||||
/// Initial trust-region radius δ₀ (in column-scaled variables).
|
||||
pub delta_init: f64,
|
||||
/// Minimum radius: if δ collapses below this the method has failed.
|
||||
pub delta_min: f64,
|
||||
/// Maximum radius (effectively unbounded above this).
|
||||
pub delta_max: f64,
|
||||
/// Gain ratio ρ below which a step is rejected and δ shrinks.
|
||||
pub accept_threshold: f64,
|
||||
/// ρ below which δ is shrunk even on accepted steps (poor model match).
|
||||
pub shrink_threshold: f64,
|
||||
/// ρ above which δ is expanded (only if ‖D·p‖ ≈ δ, i.e. the step hit the boundary).
|
||||
pub expand_threshold: f64,
|
||||
/// δ shrink multiplier (< 1) on rejected steps.
|
||||
pub shrink_factor: f64,
|
||||
/// δ expand multiplier (> 1) on the boundary with good gain.
|
||||
pub expand_factor: f64,
|
||||
/// Consecutive rejections before declaring failure at the current point.
|
||||
pub max_rejections: usize,
|
||||
/// Initial Levenberg–Marquardt λ for the singular-Newton fallback.
|
||||
pub lm_lambda_init: f64,
|
||||
/// LM λ upper bound (solves become pure gradient descent above this).
|
||||
pub lm_lambda_max: f64,
|
||||
/// LM λ growth on a rejected LM step.
|
||||
pub lm_lambda_grow: f64,
|
||||
/// LM λ shrink on an accepted LM step.
|
||||
pub lm_lambda_shrink: f64,
|
||||
/// Optional initial state (cold start shared with the primary solvers).
|
||||
pub initial_state: Option<Vec<f64>>,
|
||||
/// Optional timeout.
|
||||
pub timeout: Option<Duration>,
|
||||
}
|
||||
|
||||
impl Default for TrustRegionConfig {
|
||||
fn default() -> Self {
|
||||
Self {
|
||||
max_iterations: 200,
|
||||
tolerance: 1e-6,
|
||||
delta_init: 1.0,
|
||||
delta_min: f64::EPSILON.sqrt(), // ≈ 1.5e-8 (gomez)
|
||||
delta_max: 1e9,
|
||||
accept_threshold: 1e-4,
|
||||
shrink_threshold: 0.25,
|
||||
expand_threshold: 0.75,
|
||||
shrink_factor: 0.5, // gomez / Madsen-Tingleff μ=0.5 on rejection
|
||||
expand_factor: 2.0,
|
||||
max_rejections: 20,
|
||||
lm_lambda_init: 1e-3,
|
||||
lm_lambda_max: 1e10,
|
||||
lm_lambda_grow: 10.0,
|
||||
lm_lambda_shrink: 0.1,
|
||||
initial_state: None,
|
||||
timeout: None,
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
impl TrustRegionConfig {
|
||||
/// L2 residual norm, consistent with the other strategies. Falls back to
|
||||
/// `f64::MAX` on non-finite values so the divergence guard fires cleanly
|
||||
/// instead of poisoning the gain ratio with NaN.
|
||||
fn residual_norm(residuals: &[f64]) -> f64 {
|
||||
let norm = residuals.iter().map(|r| r * r).sum::<f64>().sqrt();
|
||||
if norm.is_finite() {
|
||||
norm
|
||||
} else {
|
||||
f64::MAX
|
||||
}
|
||||
}
|
||||
|
||||
/// Column-scaling diagonal `d_j = 1 / ‖col_j(J)‖` (GSL-style). Returns the
|
||||
/// vector of `d_j` so the trust-region metric `‖D·p‖` treats every state
|
||||
/// variable on the same scale — critical for thermodynamic systems that
|
||||
/// mix P (~1e6 Pa), h (~1e5 J/kg) and dimensionless controls (~1) in the
|
||||
/// same state vector. Zero columns fall back to `d_j = 1` to avoid div-by-0.
|
||||
fn column_scaling(jacobian: &JacobianMatrix) -> Vec<f64> {
|
||||
let m = jacobian.as_matrix();
|
||||
let ncols = m.ncols();
|
||||
let mut d = Vec::with_capacity(ncols);
|
||||
for j in 0..ncols {
|
||||
let col_norm = m.column(j).norm();
|
||||
d.push(if col_norm > f64::EPSILON.sqrt() {
|
||||
1.0 / col_norm
|
||||
} else {
|
||||
1.0
|
||||
});
|
||||
}
|
||||
d
|
||||
}
|
||||
|
||||
/// Weighted norm `‖D·v‖` used as the trust-region metric.
|
||||
fn scaled_norm(v: &[f64], d: &[f64]) -> f64 {
|
||||
let mut acc = 0.0_f64;
|
||||
for (vi, di) in v.iter().zip(d.iter()) {
|
||||
acc += (vi * di).powi(2);
|
||||
}
|
||||
acc.sqrt()
|
||||
}
|
||||
|
||||
/// Computes the dogleg step blending the Cauchy point `c` and Newton step
|
||||
/// `n` so that `‖D·p‖ ≤ δ`. Returns the step in the same coordinates as
|
||||
/// the Newton step (i.e. in x-space, not D-scaled).
|
||||
///
|
||||
/// Algorithm (Nocedal & Wright, Procedure 4.3, scaled form):
|
||||
/// * If `‖D·n‖ ≤ δ`, return `n` (full Newton step is inside the region).
|
||||
/// * Else if `‖D·c‖ ≥ δ`, clip the Cauchy step: `p = (δ/‖D·c‖)·c`.
|
||||
/// * Else find the unique τ ∈ (0,1] with `‖D·(c + τ(n − c))‖ = δ` by
|
||||
/// solving the quadratic `a·τ² + b·τ + c = 0` and return the linear
|
||||
/// blend on the segment from c to n.
|
||||
///
|
||||
/// All inputs are in x-space; only the trust-region *radius* is measured
|
||||
/// in D-scaled coordinates.
|
||||
#[allow(clippy::too_many_arguments)]
|
||||
fn dogleg_step(
|
||||
newton: Option<&[f64]>,
|
||||
cauchy: &[f64],
|
||||
d: &[f64],
|
||||
delta: f64,
|
||||
buf_dp: &mut [f64],
|
||||
buf_dn: &mut [f64],
|
||||
) -> Vec<f64> {
|
||||
// Case 1: Newton step valid and inside the region.
|
||||
if let Some(n) = newton {
|
||||
let norm_dn = {
|
||||
for (i, &ni) in n.iter().enumerate() {
|
||||
buf_dn[i] = ni * d[i];
|
||||
}
|
||||
buf_dn.iter().map(|x| x * x).sum::<f64>().sqrt()
|
||||
};
|
||||
if norm_dn <= delta {
|
||||
return n.to_vec();
|
||||
}
|
||||
}
|
||||
|
||||
// Case 2: outside Newton — clip Cauchy if needed.
|
||||
let norm_dc = {
|
||||
for (i, &ci) in cauchy.iter().enumerate() {
|
||||
buf_dp[i] = ci * d[i];
|
||||
}
|
||||
buf_dp.iter().map(|x| x * x).sum::<f64>().sqrt()
|
||||
};
|
||||
if norm_dc >= delta || newton.is_none() {
|
||||
let alpha = if norm_dc > 0.0 { delta / norm_dc } else { 0.0 };
|
||||
return cauchy.iter().map(|c| c * alpha).collect();
|
||||
}
|
||||
|
||||
// Case 3: dogleg on the segment c → n. Solve the quadratic for τ ≥ 0
|
||||
// such that ‖D·(c + τ(n − c))‖² = δ².
|
||||
let n = newton.unwrap();
|
||||
let mut a = 0.0_f64;
|
||||
let mut b = 0.0_f64;
|
||||
let mut c_coef = 0.0_f64;
|
||||
for j in 0..n.len() {
|
||||
let dj = d[j];
|
||||
let cj = cauchy[j] * dj;
|
||||
let nj = n[j] * dj;
|
||||
let mj = nj - cj; // direction of the segment in scaled space
|
||||
a += mj * mj;
|
||||
b += 2.0 * cj * mj;
|
||||
c_coef += cj * cj;
|
||||
}
|
||||
let rhs = c_coef - delta * delta;
|
||||
// Solve a·τ² + b·τ + rhs = 0 for the smallest non-negative root. We
|
||||
// want τ ∈ (0,1]: that is the intersection of the segment with the
|
||||
// sphere surface. If a is ~0 (n ≈ c numerically) fall back to Cauchy.
|
||||
let tau = if a.abs() < f64::EPSILON {
|
||||
1.0
|
||||
} else {
|
||||
let disc = b * b - 4.0 * a * rhs;
|
||||
if disc < 0.0 {
|
||||
// Quadratic has no real root: the whole segment is inside or
|
||||
// outside. Numerically degenerate — fall back to Cauchy clip.
|
||||
return cauchy.to_vec();
|
||||
}
|
||||
let sqrt_disc = disc.sqrt();
|
||||
let tau1 = (-b + sqrt_disc) / (2.0 * a);
|
||||
let tau2 = (-b - sqrt_disc) / (2.0 * a);
|
||||
// Pick the smallest non-negative root in (0,1].
|
||||
let mut candidates = [tau1, tau2]
|
||||
.iter()
|
||||
.copied()
|
||||
.filter(|&t| t.is_finite() && t > 0.0 && t <= 1.0 + 1e-12)
|
||||
.collect::<Vec<_>>();
|
||||
candidates.sort_by(|a, b| a.partial_cmp(b).unwrap_or(std::cmp::Ordering::Equal));
|
||||
candidates.first().copied().unwrap_or(1.0).clamp(0.0, 1.0)
|
||||
};
|
||||
cauchy
|
||||
.iter()
|
||||
.zip(n.iter())
|
||||
.map(|(c, n)| c + tau * (n - c))
|
||||
.collect()
|
||||
}
|
||||
|
||||
/// Solves the Levenberg–Marquardt normal equations `(JᵀJ + λI)·p = −Jᵀr`
|
||||
/// via LU. Returns `None` if the regularized system is still singular.
|
||||
fn lm_step(jacobian: &JacobianMatrix, residuals: &[f64], lambda: f64) -> Option<Vec<f64>> {
|
||||
let m = jacobian.as_matrix();
|
||||
let n = m.ncols();
|
||||
let jt = m.transpose();
|
||||
let mut regularized = &jt * m;
|
||||
// Add λ on the diagonal of the normal-equations matrix. nalgebra
|
||||
// exposes `diagonal_mut` only on owned `OMatrix`; we already have one
|
||||
// (result of `&jt * m` is owned), so the call works through DMatrix.
|
||||
for j in 0..n {
|
||||
regularized[(j, j)] += lambda;
|
||||
}
|
||||
let jtr = DVector::from_iterator(
|
||||
n,
|
||||
(0..n).map(|j| {
|
||||
let col = jt.column(j);
|
||||
-(col.dot(&DVector::from_row_slice(residuals)))
|
||||
}),
|
||||
);
|
||||
let lu = regularized.lu();
|
||||
lu.solve(&jtr)
|
||||
.map(|v| {
|
||||
let p: Vec<f64> = v.iter().copied().collect();
|
||||
if p.iter().all(|x| x.is_finite()) {
|
||||
Some(p)
|
||||
} else {
|
||||
None
|
||||
}
|
||||
})
|
||||
.flatten()
|
||||
}
|
||||
}
|
||||
|
||||
impl Solver for TrustRegionConfig {
|
||||
fn solve(&mut self, system: &mut System) -> Result<ConvergedState, SolverError> {
|
||||
let start_time = Instant::now();
|
||||
|
||||
let n_state = system.full_state_vector_len();
|
||||
let n_equations: usize = system
|
||||
.traverse_for_jacobian()
|
||||
.map(|(_, c, _)| c.n_equations())
|
||||
.sum::<usize>()
|
||||
+ system.constraints().count()
|
||||
+ system.coupling_residual_count()
|
||||
+ 2 * system.saturated_controller_count()
|
||||
+ system.mass_flow_closure_count();
|
||||
|
||||
if n_state == 0 || n_equations == 0 {
|
||||
return Err(SolverError::InvalidSystem {
|
||||
message: "Empty system has no state variables or equations".to_string(),
|
||||
});
|
||||
}
|
||||
|
||||
let mut state: Vec<f64> = match self.initial_state.as_ref() {
|
||||
Some(s) if s.len() == n_state => s.clone(),
|
||||
Some(s) => {
|
||||
return Err(SolverError::InvalidSystem {
|
||||
message: format!(
|
||||
"initial_state length {} does not match system state length {}",
|
||||
s.len(),
|
||||
n_state
|
||||
),
|
||||
});
|
||||
}
|
||||
None => vec![0.0; n_state],
|
||||
};
|
||||
let mut residuals: Vec<f64> = vec![0.0; n_equations];
|
||||
let mut saved_state: Vec<f64> = vec![0.0; n_state];
|
||||
let mut trial_state: Vec<f64> = vec![0.0; n_state];
|
||||
let mut trial_residuals: Vec<f64> = vec![0.0; n_equations];
|
||||
let mut jacobian_builder = JacobianBuilder::new();
|
||||
let mut jacobian_matrix = JacobianMatrix::zeros(n_equations, n_state);
|
||||
|
||||
// Scratch buffers for the dogleg computation — sized to n_state.
|
||||
let mut buf_dp = vec![0.0; n_state];
|
||||
let mut buf_dn = vec![0.0; n_state];
|
||||
|
||||
let clipping_mask: Vec<Option<(f64, f64)>> = (0..n_state)
|
||||
.map(|i| system.get_solver_bounds_for_state_index(i))
|
||||
.collect();
|
||||
|
||||
system
|
||||
.compute_residuals(&state, &mut residuals)
|
||||
.map_err(|e| SolverError::InvalidSystem {
|
||||
message: format!("Failed to compute initial residuals: {:?}", e),
|
||||
})?;
|
||||
let mut current_norm = Self::residual_norm(&residuals);
|
||||
|
||||
tracing::info!(
|
||||
max_iterations = self.max_iterations,
|
||||
tolerance = self.tolerance,
|
||||
delta_init = self.delta_init,
|
||||
residual_norm = current_norm,
|
||||
"Trust-region (Powell dogleg + LM) starting"
|
||||
);
|
||||
|
||||
if current_norm < self.tolerance {
|
||||
return Ok(ConvergedState::new(
|
||||
state,
|
||||
0,
|
||||
current_norm,
|
||||
ConvergenceStatus::Converged,
|
||||
SimulationMetadata::new(system.input_hash()),
|
||||
));
|
||||
}
|
||||
|
||||
let mut delta = self.delta_init;
|
||||
let mut lm_lambda = self.lm_lambda_init;
|
||||
let mut consecutive_rejections = 0usize;
|
||||
|
||||
for iteration in 1..=self.max_iterations {
|
||||
if let Some(timeout) = self.timeout {
|
||||
if start_time.elapsed() > timeout {
|
||||
tracing::info!(iteration, "Trust-region timed out");
|
||||
return Err(SolverError::Timeout {
|
||||
timeout_ms: timeout.as_millis() as u64,
|
||||
});
|
||||
}
|
||||
}
|
||||
|
||||
// Fresh analytical Jacobian every iteration — the trust-region
|
||||
// accepts/rejects based on actual residuals, so a stale Jacobian
|
||||
// would mis-predict the gain ratio.
|
||||
jacobian_builder.clear();
|
||||
system
|
||||
.assemble_jacobian(&state, &mut jacobian_builder)
|
||||
.map_err(|e| SolverError::InvalidSystem {
|
||||
message: format!("Failed to assemble Jacobian: {:?}", e),
|
||||
})?;
|
||||
jacobian_matrix.update_from_builder(jacobian_builder.entries());
|
||||
|
||||
// Column scaling diagonal D (constant within an iteration).
|
||||
let d = Self::column_scaling(&jacobian_matrix);
|
||||
|
||||
// Gradient of ½‖r‖²: g = Jᵀ·r.
|
||||
let m = jacobian_matrix.as_matrix().clone();
|
||||
let r_vec = DVector::from_row_slice(&residuals);
|
||||
let grad = m.transpose() * &r_vec;
|
||||
|
||||
// ─── Newton step ──────────────────────────────────────────────
|
||||
let newton_step = jacobian_matrix.solve(&residuals);
|
||||
|
||||
// ─── Cauchy (steepest-descent) step ───────────────────────────
|
||||
// α = (g·g) / (g·JᵀJ·g) = ‖g‖² / ‖J·g‖². For F(x)=0 we use the
|
||||
// convention that the descent direction is −g.
|
||||
let grad_norm_sq = grad.dot(&grad);
|
||||
let j_grad = &m * &grad; // J·g (n_eq-vector)
|
||||
let j_grad_norm_sq = j_grad.dot(&j_grad);
|
||||
let cauchy_step: Vec<f64> = if j_grad_norm_sq > f64::EPSILON {
|
||||
let alpha = grad_norm_sq / j_grad_norm_sq;
|
||||
grad.iter().map(|gi| -alpha * gi).collect()
|
||||
} else {
|
||||
// Degenerate (gradient ≈ 0): no descent direction available.
|
||||
grad.iter().map(|_| 0.0).collect()
|
||||
};
|
||||
|
||||
// ─── Pick the trust-region step ───────────────────────────────
|
||||
// Try the dogleg first; if the Newton step is missing (singular J),
|
||||
// fall back to a Levenberg–Marquardt solve clipped to the region.
|
||||
let step = if newton_step.is_some() || j_grad_norm_sq > f64::EPSILON {
|
||||
Self::dogleg_step(
|
||||
newton_step.as_deref(),
|
||||
&cauchy_step,
|
||||
&d,
|
||||
delta,
|
||||
&mut buf_dp,
|
||||
&mut buf_dn,
|
||||
)
|
||||
} else {
|
||||
// Both Newton and Cauchy are unusable — LM is the only hope.
|
||||
match Self::lm_step(&jacobian_matrix, &residuals, lm_lambda) {
|
||||
Some(p) => {
|
||||
let norm_dp = Self::scaled_norm(&p, &d);
|
||||
if norm_dp > delta && norm_dp > 0.0 {
|
||||
p.iter().map(|pi| pi * (delta / norm_dp)).collect()
|
||||
} else {
|
||||
p
|
||||
}
|
||||
}
|
||||
None => {
|
||||
// Even LM failed: shrink δ and retry without consuming
|
||||
// an iteration of state progress.
|
||||
delta *= self.shrink_factor;
|
||||
if delta < self.delta_min {
|
||||
return Err(SolverError::NonConvergence {
|
||||
iterations: iteration - 1,
|
||||
final_residual: current_norm,
|
||||
});
|
||||
}
|
||||
continue;
|
||||
}
|
||||
}
|
||||
};
|
||||
|
||||
if step.iter().any(|s| !s.is_finite()) {
|
||||
// Poisoned step: shrink and retry.
|
||||
delta *= self.shrink_factor;
|
||||
consecutive_rejections += 1;
|
||||
if delta < self.delta_min || consecutive_rejections > self.max_rejections {
|
||||
return Err(SolverError::NonConvergence {
|
||||
iterations: iteration - 1,
|
||||
final_residual: current_norm,
|
||||
});
|
||||
}
|
||||
continue;
|
||||
}
|
||||
|
||||
// ─── Trial state ──────────────────────────────────────────────
|
||||
saved_state.copy_from_slice(&state);
|
||||
trial_state.copy_from_slice(&state);
|
||||
apply_newton_step(&mut trial_state, &step, &clipping_mask, 1.0);
|
||||
|
||||
if let Err(e) = system.compute_residuals(&trial_state, &mut trial_residuals) {
|
||||
if !e.is_recoverable() {
|
||||
// Fatal evaluation error: abort immediately, do not burn
|
||||
// the shrink budget on it.
|
||||
return Err(SolverError::InvalidSystem {
|
||||
message: format!("Failed to compute residuals: {:?}", e),
|
||||
});
|
||||
}
|
||||
// Recoverable domain violation (KINSOL > 0): reject and shrink.
|
||||
delta *= self.shrink_factor;
|
||||
consecutive_rejections += 1;
|
||||
if delta < self.delta_min || consecutive_rejections > self.max_rejections {
|
||||
return Err(SolverError::NonConvergence {
|
||||
iterations: iteration - 1,
|
||||
final_residual: current_norm,
|
||||
});
|
||||
}
|
||||
continue;
|
||||
}
|
||||
let trial_norm = Self::residual_norm(&trial_residuals);
|
||||
|
||||
// ─── Gain ratio ρ ─────────────────────────────────────────────
|
||||
// ρ = (½‖r‖² − ½‖r_trial‖²) / (½‖r‖² − ½‖r + J·p‖²)
|
||||
// The denominator is the linear-model reduction; for square systems
|
||||
// with an exact Newton step it equals ½‖r‖².
|
||||
let actual_reduction = 0.5 * (current_norm * current_norm - trial_norm * trial_norm);
|
||||
let predicted_reduction = {
|
||||
let j_step = &m * DVector::from_row_slice(&step);
|
||||
let predicted: DVector<f64> = &r_vec + &j_step;
|
||||
0.5 * (current_norm * current_norm - predicted.norm().powi(2))
|
||||
};
|
||||
let rho = if predicted_reduction.abs() > f64::EPSILON {
|
||||
actual_reduction / predicted_reduction
|
||||
} else if actual_reduction > 0.0 {
|
||||
// Model and reality both flat-ish; accept progress but do not
|
||||
// expand the region (would lead to runaway δ growth).
|
||||
1.0
|
||||
} else {
|
||||
// No predicted reduction and no actual reduction — reject.
|
||||
-1.0
|
||||
};
|
||||
|
||||
let step_norm_d = Self::scaled_norm(&step, &d);
|
||||
|
||||
if rho >= self.accept_threshold && trial_norm < current_norm {
|
||||
// ─── Accept ───────────────────────────────────────────────
|
||||
state.copy_from_slice(&trial_state);
|
||||
residuals.copy_from_slice(&trial_residuals);
|
||||
current_norm = trial_norm;
|
||||
consecutive_rejections = 0;
|
||||
|
||||
// Grow δ on a boundary step with good model agreement. On a
|
||||
// *very* good gain (ρ > 0.9) we also re-center δ at its init
|
||||
// value when it has collapsed — a strong signal that we just
|
||||
// escaped a tough spot and can afford bolder steps again.
|
||||
if rho > self.expand_threshold
|
||||
&& step_norm_d > 0.9 * delta
|
||||
&& step_norm_d < 1.1 * delta
|
||||
{
|
||||
delta = (delta * self.expand_factor).min(self.delta_max);
|
||||
} else if rho > self.shrink_threshold {
|
||||
// Reasonable gain, no shrink. If δ had collapsed and we
|
||||
// just made real progress, lift it back up so subsequent
|
||||
// iterations don't get stuck at infinitesimal steps.
|
||||
if delta < self.delta_init {
|
||||
delta = self.delta_init.min(self.delta_max);
|
||||
}
|
||||
} else {
|
||||
// Accepted but the model poorly predicted the reduction —
|
||||
// tighten the region for the next iteration.
|
||||
delta = (delta * self.shrink_factor).max(self.delta_min);
|
||||
}
|
||||
|
||||
// LM λ decay on accepted LM steps.
|
||||
if newton_step.is_none() {
|
||||
lm_lambda = (lm_lambda * self.lm_lambda_shrink).max(1e-12);
|
||||
}
|
||||
|
||||
tracing::debug!(
|
||||
iteration,
|
||||
residual_norm = current_norm,
|
||||
delta,
|
||||
rho,
|
||||
step_norm_d,
|
||||
"Trust-region accepted step"
|
||||
);
|
||||
|
||||
if current_norm < self.tolerance {
|
||||
tracing::info!(
|
||||
iterations = iteration,
|
||||
final_residual = current_norm,
|
||||
"Trust-region converged"
|
||||
);
|
||||
return Ok(ConvergedState::new(
|
||||
state,
|
||||
iteration,
|
||||
current_norm,
|
||||
ConvergenceStatus::Converged,
|
||||
SimulationMetadata::new(system.input_hash()),
|
||||
));
|
||||
}
|
||||
} else {
|
||||
// ─── Reject ───────────────────────────────────────────────
|
||||
consecutive_rejections += 1;
|
||||
delta = (delta * self.shrink_factor).max(self.delta_min);
|
||||
|
||||
// Grow LM λ on rejected LM steps so the next iteration is more
|
||||
// gradient-descent-like.
|
||||
if newton_step.is_none() {
|
||||
lm_lambda = (lm_lambda * self.lm_lambda_grow).min(self.lm_lambda_max);
|
||||
}
|
||||
|
||||
tracing::debug!(
|
||||
iteration,
|
||||
residual_norm = current_norm,
|
||||
trial_norm,
|
||||
delta,
|
||||
rho,
|
||||
consecutive_rejections,
|
||||
"Trust-region rejected step"
|
||||
);
|
||||
|
||||
if delta <= self.delta_min || consecutive_rejections > self.max_rejections {
|
||||
tracing::warn!(
|
||||
iteration,
|
||||
final_residual = current_norm,
|
||||
delta,
|
||||
consecutive_rejections,
|
||||
"Trust-region failed to make progress"
|
||||
);
|
||||
return Err(SolverError::NonConvergence {
|
||||
iterations: iteration - 1,
|
||||
final_residual: current_norm,
|
||||
});
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
tracing::warn!(
|
||||
max_iterations = self.max_iterations,
|
||||
final_residual = current_norm,
|
||||
"Trust-region did not converge"
|
||||
);
|
||||
Err(SolverError::NonConvergence {
|
||||
iterations: self.max_iterations,
|
||||
final_residual: current_norm,
|
||||
})
|
||||
}
|
||||
|
||||
fn with_timeout(mut self, timeout: Duration) -> Self {
|
||||
self.timeout = Some(timeout);
|
||||
self
|
||||
}
|
||||
}
|
||||
|
||||
#[cfg(test)]
|
||||
mod tests {
|
||||
use super::*;
|
||||
use crate::solver::Solver;
|
||||
use crate::system::System;
|
||||
|
||||
#[test]
|
||||
fn test_trust_region_defaults() {
|
||||
let cfg = TrustRegionConfig::default();
|
||||
assert_eq!(cfg.max_iterations, 200);
|
||||
assert!(cfg.delta_init > 0.0);
|
||||
assert!(cfg.delta_min > 0.0 && cfg.delta_min < cfg.delta_init);
|
||||
assert!(cfg.delta_max > cfg.delta_init);
|
||||
assert!(cfg.shrink_factor > 0.0 && cfg.shrink_factor < 1.0);
|
||||
assert!(cfg.expand_factor > 1.0);
|
||||
assert!(cfg.accept_threshold > 0.0 && cfg.accept_threshold < 1.0);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_trust_region_rejects_empty_system() {
|
||||
let mut system = System::new();
|
||||
system.finalize().unwrap();
|
||||
let mut solver = TrustRegionConfig::default();
|
||||
let result = solver.solve(&mut system);
|
||||
assert!(matches!(result, Err(SolverError::InvalidSystem { .. })));
|
||||
}
|
||||
|
||||
/// Smoke check on the dogleg step: when Newton is inside the region the
|
||||
/// returned step must equal the Newton step exactly.
|
||||
#[test]
|
||||
fn test_dogleg_returns_newton_inside_region() {
|
||||
// Newton step of norm 0.5 (in D=I), region radius 1.0 → inside.
|
||||
let newton = vec![0.3, 0.4]; // ‖n‖ = 0.5
|
||||
let cauchy = vec![0.1, 0.1];
|
||||
let d = vec![1.0, 1.0];
|
||||
let mut buf_dp = vec![0.0; 2];
|
||||
let mut buf_dn = vec![0.0; 2];
|
||||
let p = TrustRegionConfig::dogleg_step(
|
||||
Some(&newton),
|
||||
&cauchy,
|
||||
&d,
|
||||
1.0,
|
||||
&mut buf_dp,
|
||||
&mut buf_dn,
|
||||
);
|
||||
assert!((p[0] - 0.3).abs() < 1e-12);
|
||||
assert!((p[1] - 0.4).abs() < 1e-12);
|
||||
}
|
||||
|
||||
/// When the Newton step is outside the region but the Cauchy point is
|
||||
/// inside, the dogleg must lie on the segment c → n at the boundary.
|
||||
#[test]
|
||||
fn test_dogleg_blends_to_boundary() {
|
||||
// Newton ‖n‖ = 10, Cauchy ‖c‖ = 0.1, δ = 1.0 → τ must place the step
|
||||
// on the segment c→n with scaled norm 1.
|
||||
let newton = vec![10.0, 0.0];
|
||||
let cauchy = vec![-0.1, 0.0];
|
||||
let d = vec![1.0, 1.0];
|
||||
let mut buf_dp = vec![0.0; 2];
|
||||
let mut buf_dn = vec![0.0; 2];
|
||||
let p = TrustRegionConfig::dogleg_step(
|
||||
Some(&newton),
|
||||
&cauchy,
|
||||
&d,
|
||||
1.0,
|
||||
&mut buf_dp,
|
||||
&mut buf_dn,
|
||||
);
|
||||
let norm = (p[0].powi(2) + p[1].powi(2)).sqrt();
|
||||
// Step must hit the trust-region boundary (within numerical tolerance).
|
||||
assert!(
|
||||
(norm - 1.0).abs() < 1e-9,
|
||||
"dogleg must hit the boundary, got norm = {}",
|
||||
norm
|
||||
);
|
||||
// Step must lie on the segment c → n (x-component between −0.1 and 10).
|
||||
assert!(p[0] >= -0.1 && p[0] <= 10.0);
|
||||
assert!((p[1]).abs() < 1e-12);
|
||||
}
|
||||
|
||||
/// When Newton is missing (singular Jacobian) and Cauchy is outside the
|
||||
/// region, the step is the Cauchy direction clipped to the boundary.
|
||||
#[test]
|
||||
fn test_dogleg_clips_cauchy_when_newton_missing() {
|
||||
let cauchy = vec![3.0, 4.0]; // ‖c‖ = 5
|
||||
let d = vec![1.0, 1.0];
|
||||
let mut buf_dp = vec![0.0; 2];
|
||||
let mut buf_dn = vec![0.0; 2];
|
||||
let p = TrustRegionConfig::dogleg_step(None, &cauchy, &d, 1.0, &mut buf_dp, &mut buf_dn);
|
||||
let norm = (p[0].powi(2) + p[1].powi(2)).sqrt();
|
||||
assert!((norm - 1.0).abs() < 1e-12);
|
||||
// Same direction as Cauchy.
|
||||
assert!(p[0] > 0.0 && p[1] > 0.0);
|
||||
}
|
||||
|
||||
/// Column scaling must assign ~1 to near-zero columns and 1/‖col‖ otherwise.
|
||||
#[test]
|
||||
fn test_column_scaling_handles_zero_and_unit_columns() {
|
||||
// J = [[10, 0], [0, 2]] → d = [1/10, 1/2].
|
||||
let entries = vec![(0, 0, 10.0), (1, 1, 2.0)];
|
||||
let j = JacobianMatrix::from_builder(&entries, 2, 2);
|
||||
let d = TrustRegionConfig::column_scaling(&j);
|
||||
assert!((d[0] - 0.1).abs() < 1e-12);
|
||||
assert!((d[1] - 0.5).abs() < 1e-12);
|
||||
|
||||
// Zero column → d = 1.
|
||||
let entries = vec![(0, 0, 5.0), (1, 0, 5.0)]; // col 1 all zeros
|
||||
let j = JacobianMatrix::from_builder(&entries, 2, 2);
|
||||
let d = TrustRegionConfig::column_scaling(&j);
|
||||
assert!((d[1] - 1.0).abs() < 1e-12);
|
||||
}
|
||||
}
|
||||
@@ -772,11 +772,7 @@ impl System {
|
||||
tracing::debug!("{}", report.summary());
|
||||
}
|
||||
SystemDofBalance::UnderConstrained { free_dofs } => {
|
||||
tracing::warn!(
|
||||
free_dofs,
|
||||
"{}",
|
||||
report.summary()
|
||||
);
|
||||
tracing::warn!(free_dofs, "{}", report.summary());
|
||||
}
|
||||
SystemDofBalance::OverConstrained { excess_equations } => {
|
||||
tracing::error!(excess_equations, "{}", report.summary());
|
||||
@@ -2339,9 +2335,7 @@ impl System {
|
||||
}
|
||||
}
|
||||
for id in self.inverse_control.linked_controls() {
|
||||
unknowns.push(UnknownKind::InverseControl {
|
||||
id: id.to_string(),
|
||||
});
|
||||
unknowns.push(UnknownKind::InverseControl { id: id.to_string() });
|
||||
}
|
||||
for index in 0..self.coupling_residual_count() {
|
||||
unknowns.push(UnknownKind::CouplingHeat { index });
|
||||
@@ -2351,9 +2345,7 @@ impl System {
|
||||
unknowns.push(UnknownKind::SaturatedIntegrator { index });
|
||||
}
|
||||
for id in &self.free_actuators {
|
||||
unknowns.push(UnknownKind::FreeActuator {
|
||||
id: id.to_string(),
|
||||
});
|
||||
unknowns.push(UnknownKind::FreeActuator { id: id.to_string() });
|
||||
}
|
||||
|
||||
if unknowns.len() != n_unknowns {
|
||||
|
||||
Reference in New Issue
Block a user