KOKO\Mimi
22c9d4435c
Implement MITC4 mass, constrained whitening, MKL FEAST, modal HDF5, and deterministic Value comparison. MSVC Debug builds; 394 of 395 tests pass. Original-model all-c residual and the documented S3 static contract conflict remain unresolved; this is an implementation checkpoint, not feature acceptance.
84 lines
2.4 KiB
C++
84 lines
2.4 KiB
C++
#ifndef FESA_SOLVERS_EIGEN_MKL_FEAST_EIGEN_SOLVER_H_
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#define FESA_SOLVERS_EIGEN_MKL_FEAST_EIGEN_SOLVER_H_
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#include <cstddef>
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#include <cstdint>
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#include <string>
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#include <vector>
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#include "fesa/core/status.h"
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#include "fesa/math/matrix.h"
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namespace fesa {
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class SparseMatrix;
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/// @brief Records one deterministic private-backend invocation.
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struct FeastBackendCall {
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std::size_t ordinal;
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std::string kind;
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std::string purpose;
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double lower;
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double upper;
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std::size_t allocated_m0;
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int info;
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bool count_available;
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std::size_t count;
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bool loop_available;
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int loop;
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bool epsout_available;
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double epsout;
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std::string outcome;
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std::string decision_reason;
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};
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/// @brief Owns the complete validated FEAST interval result before public N
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/// selection.
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struct FeastEigenResult {
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std::size_t requested_modes;
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std::vector<double> eigenvalues;
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Matrix eigenvectors;
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double operator_scale;
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std::vector<std::size_t> column_ids;
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std::vector<bool> backend_res_available;
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std::vector<double> backend_res;
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std::vector<double> normalized_eigenvalues;
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std::vector<double> whitened_residuals;
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double gram_error;
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std::vector<FeastBackendCall> backend_calls;
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std::vector<std::int64_t> base_fpm;
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std::string runtime_version;
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std::string integer_abi;
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std::size_t thread_count;
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std::uint64_t seed;
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double enclosure_lower;
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double enclosure_upper;
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double solve_lower;
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double solve_upper;
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std::string upper_search_termination;
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};
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/// @brief Solves a whitened real-symmetric eigenproblem with oneMKL FEAST.
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class MklFeastEigenSolver final {
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public:
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/// @brief Computes all validated interval pairs for a requested lowest-mode
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/// prefix.
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/// @param whitened_operator Symmetric physical-lambda operator after
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/// whitening.
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/// @param requested_modes Number of lowest modes eventually exposed by the
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/// caller.
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/// @param zero_operator_scale Positive physical scale used only when A is
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/// exactly zero.
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/// @return Sorted all-c eigenpairs in physical lambda units or a solver
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/// failure.
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/// @note The implementation fixes oneMKL local thread count to one during
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/// every call.
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Result<FeastEigenResult> Solve(const SparseMatrix& whitened_operator,
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std::size_t requested_modes,
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double zero_operator_scale) const;
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};
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} // namespace fesa
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#endif // FESA_SOLVERS_EIGEN_MKL_FEAST_EIGEN_SOLVER_H_
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