Linear Solvers

Linear Solvers

Goal

Provide a universal workflow to select a solver, assess conditioning, and diagnose convergence for linear systems arising in numerical simulations.

Requirements

• Python 3.8+
• NumPy, SciPy (for matrix operations)
• See individual scripts for dependencies

Inputs to Gather

Decision Guidance

Solver Selection Flowchart

Is matrix small (n < 5000) and dense?
├── YES → Use direct solver (LU, Cholesky)
└── NO → Is matrix symmetric?
    ├── YES → Is it positive definite?
    │   ├── YES → Use CG with AMG/IC preconditioner
    │   └── NO → Use MINRES
    └── NO → Is it nearly symmetric?
        ├── YES → Use BiCGSTAB
        └── NO → Use GMRES with ILU/AMG

Quick Reference

Script Outputs (JSON Fields)

Workflow

1. Characterize matrix - symmetry, definiteness, sparsity
2. Analyze sparsity - Run scripts/sparsity_stats.py
3. Select solver - Run scripts/solver_selector.py
4. Choose preconditioner - Run scripts/preconditioner_advisor.py
5. Apply scaling - If ill-conditioned, use scripts/scaling_equilibration.py
6. Monitor convergence - Use scripts/convergence_diagnostics.py
7. Diagnose issues - Check residual history with scripts/residual_norms.py

Conversational Workflow Example

User: My GMRES solver is stagnating after 50 iterations. The residual drops to 1e-3 then stops improving.

Agent workflow:

1. Diagnose convergence:

   python3 scripts/convergence_diagnostics.py --residuals 1,0.1,0.01,0.005,0.003,0.002,0.002,0.002 --json
   

2. Check for preconditioning advice:

   python3 scripts/preconditioner_advisor.py --matrix-type nonsymmetric --sparse --stagnation --json
   

3. Recommend: Increase restart parameter, try ILU(k) with higher k, or switch to AMG.

Pre-Solve Checklist

• Confirm matrix symmetry/definiteness
• Decide direct vs iterative based on size and sparsity
• Set residual tolerance relative to physics scale
• Choose preconditioner appropriate to matrix structure
• Apply scaling/equilibration if needed
• Track convergence and adjust if stagnation occurs

CLI Examples

# Analyze sparsity pattern
python3 scripts/sparsity_stats.py --matrix A.npy --json

# Select solver for SPD sparse system
python3 scripts/solver_selector.py --symmetric --positive-definite --sparse --size 1000000 --json

# Get preconditioner recommendation
python3 scripts/preconditioner_advisor.py --matrix-type spd --sparse --json

# Diagnose convergence from residual history
python3 scripts/convergence_diagnostics.py --residuals 1,0.2,0.05,0.01 --json

# Apply scaling
python3 scripts/scaling_equilibration.py --matrix A.npy --symmetric --json

# Compute residual norms
python3 scripts/residual_norms.py --residual 1,0.1,0.01 --rhs 1,0,0 --json

Error Handling

Interpretation Guidance

Convergence Rate

Stagnation Diagnosis

Security

The linear-solvers scripts enforce the following safeguards when processing external data:

• Pickle-safe loading: np.load() is called with allow_pickle=False to prevent arbitrary code execution via crafted .npy files.
• File size limits: Matrix files are rejected if they exceed 500 MB before any parsing occurs.
• Matrix dimension limits: Loaded matrices are capped at 100,000 per dimension to prevent memory exhaustion.
• Input length limits: Comma-separated residual/vector inputs are capped at 100,000 entries.
• Finite-value validation: All numeric inputs (residuals, tolerances, matrix entries) are validated as finite numbers.
• Size bounds: The solver_selector.py --size parameter is bounded at 10 billion.
• Reduced tool surface: The skill's allowed-tools excludes Bash to prevent the agent from executing arbitrary commands when processing untrusted matrix files or numeric inputs.

Limitations

• Large dense matrices: Direct solvers may run out of memory
• Highly indefinite: Standard preconditioners may fail
• Saddle-point: Requires specialized block preconditioners

References

• references/solver_decision_tree.md - Selection logic
• references/preconditioner_catalog.md - Preconditioner options
• references/convergence_patterns.md - Diagnosing failures
• references/scaling_guidelines.md - Equilibration guidance

Version History

• v1.1.0 (2024-12-24): Enhanced documentation, decision guidance, examples
• v1.0.0: Initial release with 6 solver analysis scripts