From 6caf6ec6319fd2afb63ecf090ba05e3120b0da48 Mon Sep 17 00:00:00 2001 From: natalia-rubio Date: Fri, 10 Apr 2026 14:43:23 -0700 Subject: [PATCH 1/6] added tests --- src/model/BloodVesselFC.cpp | 151 +++ src/model/BloodVesselFC.h | 109 ++ src/model/CMakeLists.txt | 2 + src/model/Model.cpp | 1 + src/model/Model.h | 4 + src/optimize/calibrate.cpp | 101 +- src/solve/SimulationParameters.cpp | 13 +- src/solve/csv_writer.cpp | 1 + .../calibration_BloodVesselFC_fixedC1e-6.json | 1081 +++++++++++++++++ ...loodVesselFC_fixedC1e-6_directed_graph.dot | 7 + ...edCap1e-6_BloodVesselFC_directed_graph.dot | 7 + ...ixedCap1e-6_BloodVessel_directed_graph.dot | 7 + ...leFlow_R_RCR_fixedCap1e-6_BloodVessel.json | 94 ++ ...Flow_R_RCR_fixedCap1e-6_BloodVesselFC.json | 94 ++ ...leFlow_R_RCR_fixedCap1e-6_BloodVessel.json | 1 + ...Flow_R_RCR_fixedCap1e-6_BloodVesselFC.json | 1 + tests/compute_ref_sol.py | 1 + tests/test_calibrator.py | 30 + tests/test_dirgraph.py | 10 +- tests/test_solver.py | 4 +- tests/utils.py | 30 +- 21 files changed, 1716 insertions(+), 33 deletions(-) create mode 100644 src/model/BloodVesselFC.cpp create mode 100644 src/model/BloodVesselFC.h create mode 100644 tests/cases/calibration_BloodVesselFC_fixedC1e-6.json create mode 100644 tests/cases/dirgraph-results/calibration_BloodVesselFC_fixedC1e-6_directed_graph.dot create mode 100644 tests/cases/dirgraph-results/pulsatileFlow_R_RCR_fixedCap1e-6_BloodVesselFC_directed_graph.dot create mode 100644 tests/cases/dirgraph-results/pulsatileFlow_R_RCR_fixedCap1e-6_BloodVessel_directed_graph.dot create mode 100644 tests/cases/pulsatileFlow_R_RCR_fixedCap1e-6_BloodVessel.json create mode 100644 tests/cases/pulsatileFlow_R_RCR_fixedCap1e-6_BloodVesselFC.json create mode 100644 tests/cases/results/result_pulsatileFlow_R_RCR_fixedCap1e-6_BloodVessel.json create mode 100644 tests/cases/results/result_pulsatileFlow_R_RCR_fixedCap1e-6_BloodVesselFC.json diff --git a/src/model/BloodVesselFC.cpp b/src/model/BloodVesselFC.cpp new file mode 100644 index 000000000..f5a595204 --- /dev/null +++ b/src/model/BloodVesselFC.cpp @@ -0,0 +1,151 @@ +// SPDX-FileCopyrightText: Copyright (c) Stanford University, The Regents of the +// University of California, and others. SPDX-License-Identifier: BSD-3-Clause + +#include + +#include "BloodVesselFC.h" +#include "Model.h" + +void BloodVesselFC::setup_dofs(DOFHandler& dofhandler) { + Block::setup_dofs_(dofhandler, 2, {}); +} + +void BloodVesselFC::update_constant(SparseSystem& system, + std::vector& parameters) { + // Get parameters + double inductance = parameters[global_param_ids[ParamId::INDUCTANCE]]; + double resistance = parameters[global_param_ids[ParamId::RESISTANCE]]; + + // Get fixed capacitance from model by looking up this block's name + double capacitance = 0.0; + std::string block_name = ""; + for (size_t i = 0; i < model->get_num_blocks(); i++) { + if (model->get_block(i) == this) { + block_name = model->get_block_name(i); + break; + } + } + if (!block_name.empty() && model->fixed_capacitance.count(block_name)) { + capacitance = model->fixed_capacitance.at(block_name); + } + + // Set element contributions + system.E.coeffRef(global_eqn_ids[0], global_var_ids[3]) = -inductance; + system.E.coeffRef(global_eqn_ids[1], global_var_ids[0]) = -capacitance; + system.E.coeffRef(global_eqn_ids[1], global_var_ids[1]) = + capacitance * resistance; + system.F.coeffRef(global_eqn_ids[0], global_var_ids[0]) = 1.0; + system.F.coeffRef(global_eqn_ids[0], global_var_ids[1]) = -resistance; + system.F.coeffRef(global_eqn_ids[0], global_var_ids[2]) = -1.0; + system.F.coeffRef(global_eqn_ids[1], global_var_ids[1]) = 1.0; + system.F.coeffRef(global_eqn_ids[1], global_var_ids[3]) = -1.0; +} + +void BloodVesselFC::update_solution( + SparseSystem& system, std::vector& parameters, + const Eigen::Matrix& y, + const Eigen::Matrix& dy) { + // Get fixed capacitance from model + std::string block_name = ""; + for (size_t i = 0; i < model->get_num_blocks(); i++) { + if (model->get_block(i) == this) { + block_name = model->get_block_name(i); + break; + } + } + double capacitance = 0.0; + if (!block_name.empty() && model->fixed_capacitance.count(block_name)) { + capacitance = model->fixed_capacitance.at(block_name); + } + + double stenosis_coeff = 0.0; + if (global_param_ids.size() > static_cast(ParamId::STENOSIS_COEFFICIENT)) { + stenosis_coeff = + parameters[global_param_ids[ParamId::STENOSIS_COEFFICIENT]]; + } + double q_in = y[global_var_ids[1]]; + double dq_in = dy[global_var_ids[1]]; + double stenosis_resistance = stenosis_coeff * fabs(q_in); + + // Set element contributions + system.C(global_eqn_ids[0]) = stenosis_resistance * -q_in; + system.C(global_eqn_ids[1]) = stenosis_resistance * 2.0 * capacitance * dq_in; + + double sgn_q_in = (0.0 < q_in) - (q_in < 0.0); + system.dC_dy.coeffRef(global_eqn_ids[0], global_var_ids[1]) = + stenosis_coeff * sgn_q_in * -2.0 * q_in; + system.dC_dy.coeffRef(global_eqn_ids[1], global_var_ids[1]) = + stenosis_coeff * sgn_q_in * 2.0 * capacitance * dq_in; + + system.dC_dydot.coeffRef(global_eqn_ids[1], global_var_ids[1]) = + stenosis_resistance * 2.0 * capacitance; +} + +void BloodVesselFC::update_gradient( + Eigen::SparseMatrix& jacobian, + Eigen::Matrix& residual, + Eigen::Matrix& alpha, std::vector& y, + std::vector& dy) { + // Check if all required observations are available (not NaN) + auto y0 = y[global_var_ids[0]]; + auto y1 = y[global_var_ids[1]]; + auto y2 = y[global_var_ids[2]]; + auto y3 = y[global_var_ids[3]]; + + auto dy0 = dy[global_var_ids[0]]; + auto dy1 = dy[global_var_ids[1]]; + auto dy3 = dy[global_var_ids[3]]; + + // Skip residual computation if any required observation is missing (NaN) + if (std::isnan(y0) || std::isnan(y1) || std::isnan(y2) || std::isnan(y3) || + std::isnan(dy0) || std::isnan(dy1) || std::isnan(dy3)) { + return; + } + + auto resistance = alpha[global_param_ids[ParamId::RESISTANCE]]; + auto inductance = alpha[global_param_ids[ParamId::INDUCTANCE]]; + double stenosis_coeff = 0.0; + + if (global_param_ids.size() > 2) { + stenosis_coeff = alpha[global_param_ids[ParamId::STENOSIS_COEFFICIENT]]; + } + + // Get fixed capacitance from model + std::string block_name = ""; + for (size_t i = 0; i < model->get_num_blocks(); i++) { + if (model->get_block(i) == this) { + block_name = model->get_block_name(i); + break; + } + } + double capacitance = 0.0; + if (!block_name.empty() && model->fixed_capacitance.count(block_name)) { + capacitance = model->fixed_capacitance.at(block_name); + } + + auto stenosis_resistance = stenosis_coeff * fabs(y1); + + // Jacobian entries for R (param 0) - same as BloodVessel + jacobian.coeffRef(global_eqn_ids[0], global_param_ids[0]) = -y1; + jacobian.coeffRef(global_eqn_ids[1], global_param_ids[0]) = capacitance * dy1; + + // Jacobian entries for L (param 1) - same as BloodVessel param 2 + jacobian.coeffRef(global_eqn_ids[0], global_param_ids[1]) = -dy3; + + // Note: No Jacobian entries for C since it's fixed! + + if (global_param_ids.size() > 2) { + // Jacobian entries for stenosis (param 2) - same as BloodVessel param 3 + jacobian.coeffRef(global_eqn_ids[0], global_param_ids[2]) = -fabs(y1) * y1; + jacobian.coeffRef(global_eqn_ids[1], global_param_ids[2]) = + 2.0 * capacitance * fabs(y1) * dy1; + } + + // Residual - same as BloodVessel but using fixed capacitance + residual(global_eqn_ids[0]) = + y0 - (resistance + stenosis_resistance) * y1 - y2 - inductance * dy3; + residual(global_eqn_ids[1]) = + (y1 - y3 - capacitance * dy0 + + capacitance * (resistance + 2.0 * stenosis_resistance) * dy1); +} + diff --git a/src/model/BloodVesselFC.h b/src/model/BloodVesselFC.h new file mode 100644 index 000000000..1744d9ca5 --- /dev/null +++ b/src/model/BloodVesselFC.h @@ -0,0 +1,109 @@ +// SPDX-FileCopyrightText: Copyright (c) Stanford University, The Regents of the +// University of California, and others. SPDX-License-Identifier: BSD-3-Clause +/** + * @file BloodVesselFC.h + * @brief model::BloodVesselFC source file - Blood vessel with fixed capacitance + */ +#ifndef SVZERODSOLVER_MODEL_BLOODVESSELFC_HPP_ +#define SVZERODSOLVER_MODEL_BLOODVESSELFC_HPP_ + +#include + +#include "Block.h" +#include "SparseSystem.h" + +/** + * @brief Resistor-capacitor-inductor blood vessel with fixed capacitance + * + * Same as BloodVessel, but capacitance is not an optimization parameter. + * Instead, capacitance is read from the model's fixed_capacitance map. + * This is used in the calibrator when capacitance should not be optimized. + * + * ### Parameters + * + * Parameter sequence for constructing this block (note: no capacitance) + * + * * `0` Poiseuille resistance + * * `1` Inductance + * * `2` Stenosis coefficient + * + */ +class BloodVesselFC : public Block { + public: + /** + * @brief Local IDs of the parameters + * + */ + enum ParamId { + RESISTANCE = 0, + INDUCTANCE = 1, + STENOSIS_COEFFICIENT = 2, + }; + + /** + * @brief Construct a new BloodVesselFC object + * + * @param id Global ID of the block + * @param model The model to which the block belongs + */ + BloodVesselFC(int id, Model* model) + : Block(id, model, BlockType::blood_vessel, BlockClass::vessel, + {{"R_poiseuille", InputParameter()}, + {"L", InputParameter(true)}, + {"stenosis_coefficient", InputParameter(true)}}) {} + + /** + * @brief Set up the degrees of freedom (DOF) of the block + * + * @param dofhandler Degree-of-freedom handler to register variables and + * equations at + */ + void setup_dofs(DOFHandler& dofhandler); + + /** + * @brief Update the constant contributions of the element in a sparse system + * + * @param system System to update contributions at + * @param parameters Parameters of the model + */ + void update_constant(SparseSystem& system, std::vector& parameters); + + /** + * @brief Update the solution-dependent contributions of the element in a + * sparse system + * + * @param system System to update contributions at + * @param parameters Parameters of the model + * @param y Current solution + * @param dy Current derivate of the solution + */ + void update_solution(SparseSystem& system, std::vector& parameters, + const Eigen::Matrix& y, + const Eigen::Matrix& dy); + + /** + * @brief Set the gradient of the block contributions with respect to the + * parameters + * + * @param jacobian Jacobian with respect to the parameters + * @param alpha Current parameter vector + * @param residual Residual with respect to the parameters + * @param y Current solution + * @param dy Time-derivative of the current solution + */ + void update_gradient(Eigen::SparseMatrix& jacobian, + Eigen::Matrix& residual, + Eigen::Matrix& alpha, + std::vector& y, std::vector& dy); + + /** + * @brief Number of triplets of element + * + * Number of triplets that the element contributes to the global system + * (relevant for sparse memory reservation) + */ + TripletsContributions num_triplets{5, 3, 2}; +}; + +#endif // SVZERODSOLVER_MODEL_BLOODVESSELFC_HPP_ + diff --git a/src/model/CMakeLists.txt b/src/model/CMakeLists.txt index c04f7ae1f..8ce5a743e 100644 --- a/src/model/CMakeLists.txt +++ b/src/model/CMakeLists.txt @@ -10,6 +10,7 @@ set(CXXSRCS Block.cpp BloodVessel.cpp BloodVesselCRL.cpp + BloodVesselFC.cpp BloodVesselJunction.cpp ChamberSphere.cpp ChamberElastanceInductor.cpp @@ -41,6 +42,7 @@ set(HDRS BlockType.h BloodVessel.h BloodVesselCRL.h + BloodVesselFC.h BloodVesselJunction.h ChamberSphere.h ChamberElastanceInductor.h diff --git a/src/model/Model.cpp b/src/model/Model.cpp index 17e9079b1..075983c6d 100644 --- a/src/model/Model.cpp +++ b/src/model/Model.cpp @@ -31,6 +31,7 @@ Model::Model() { {"ValveTanh", block_factory()}, {"ChamberElastanceInductor", block_factory()}, {"BloodVesselCRL", block_factory()}, + {"BloodVesselFC", block_factory()}, {"PiecewiseValve", block_factory()}, {"LinearElastanceChamber", block_factory()}}; } diff --git a/src/model/Model.h b/src/model/Model.h index 0b8cdec2a..9e71b5f69 100644 --- a/src/model/Model.h +++ b/src/model/Model.h @@ -19,6 +19,7 @@ #include "BlockFactory.h" #include "BloodVessel.h" #include "BloodVesselCRL.h" +#include "BloodVesselFC.h" #include "BloodVesselJunction.h" #include "ChamberElastanceInductor.h" #include "ChamberSphere.h" @@ -72,6 +73,9 @@ class Model { double cardiac_cycle_period = -1.0; ///< Cardiac cycle period double time = 0.0; ///< Current time + /// Fixed capacitance values for BloodVesselFC blocks (vessel_name -> C) + std::map fixed_capacitance; + /** * @brief Create a new block * diff --git a/src/optimize/calibrate.cpp b/src/optimize/calibrate.cpp index 28904a312..8e46ff4b0 100644 --- a/src/optimize/calibrate.cpp +++ b/src/optimize/calibrate.cpp @@ -40,14 +40,31 @@ nlohmann::json calibrate(const nlohmann::json& config) { for (auto const& vessel_config : config["vessels"]) { std::string vessel_name = vessel_config["vessel_name"]; - // Create parameter IDs - std::vector param_ids; - for (size_t k = 0; k < num_params; k++) - param_ids.push_back(param_counter++); std::string block_type = vessel_config["zero_d_element_type"].get(); + // Create parameter IDs + std::vector param_ids; + if (block_type == "BloodVesselFC") { + // R, L, and optionally stenosis — no capacitance in alpha + int n_fc = calibrate_stenosis ? 3 : 2; + for (int k = 0; k < n_fc; k++) { + param_ids.push_back(param_counter++); + } + } else { + for (size_t k = 0; k < num_params; k++) { + param_ids.push_back(param_counter++); + } + } model.add_block(block_type, param_ids, vessel_name); vessel_id_map.insert({vessel_config["vessel_id"], vessel_name}); + if (block_type == "BloodVesselFC") { + double c_val = 0.0; + if (!zero_capacitance && + vessel_config["zero_d_element_values"].contains("C")) { + c_val = vessel_config["zero_d_element_values"]["C"].get(); + } + model.fixed_capacitance[vessel_name] = c_val; + } DEBUG_MSG("Created vessel " << vessel_name); // Read connected boundary conditions @@ -153,16 +170,30 @@ nlohmann::json calibrate(const nlohmann::json& config) { std::string vessel_name = vessel_config["vessel_name"]; DEBUG_MSG("Reading initial alpha for " << vessel_name); auto block = model.get_block(vessel_name); - alpha[block->global_param_ids[0]] = - vessel_config["zero_d_element_values"].value("R_poiseuille", 0.0); - alpha[block->global_param_ids[1]] = - vessel_config["zero_d_element_values"].value("C", 0.0); - alpha[block->global_param_ids[2]] = - vessel_config["zero_d_element_values"].value("L", 0.0); - if (num_params > 3) { - alpha[block->global_param_ids[3]] = - vessel_config["zero_d_element_values"].value("stenosis_coefficient", - 0.0); + std::string vtype = + vessel_config["zero_d_element_type"].get(); + if (vtype == "BloodVesselFC") { + alpha[block->global_param_ids[0]] = + vessel_config["zero_d_element_values"].value("R_poiseuille", 0.0); + alpha[block->global_param_ids[1]] = + vessel_config["zero_d_element_values"].value("L", 0.0); + if (calibrate_stenosis) { + alpha[block->global_param_ids[2]] = + vessel_config["zero_d_element_values"].value( + "stenosis_coefficient", 0.0); + } + } else { + alpha[block->global_param_ids[0]] = + vessel_config["zero_d_element_values"].value("R_poiseuille", 0.0); + alpha[block->global_param_ids[1]] = + vessel_config["zero_d_element_values"].value("C", 0.0); + alpha[block->global_param_ids[2]] = + vessel_config["zero_d_element_values"].value("L", 0.0); + if (num_params > 3) { + alpha[block->global_param_ids[3]] = + vessel_config["zero_d_element_values"].value( + "stenosis_coefficient", 0.0); + } } } for (auto& junction_config : output_config["junctions"]) { @@ -213,19 +244,37 @@ nlohmann::json calibrate(const nlohmann::json& config) { for (auto& vessel_config : output_config["vessels"]) { std::string vessel_name = vessel_config["vessel_name"]; auto block = model.get_block(vessel_name); - double stenosis_coeff = 0.0; - if (num_params > 3) { - stenosis_coeff = alpha[block->global_param_ids[3]]; - } - double c_value = 0.0; - if (!zero_capacitance) { - c_value = alpha[block->global_param_ids[1]]; + std::string vtype = + vessel_config["zero_d_element_type"].get(); + if (vtype == "BloodVesselFC") { + double c_value = 0.0; + if (!zero_capacitance) { + c_value = model.fixed_capacitance[vessel_name]; + } + double stenosis_coeff = 0.0; + if (calibrate_stenosis) { + stenosis_coeff = alpha[block->global_param_ids[2]]; + } + vessel_config["zero_d_element_values"] = { + {"R_poiseuille", alpha[block->global_param_ids[0]]}, + {"C", std::max(c_value, 0.0)}, + {"L", std::max(alpha[block->global_param_ids[1]], 0.0)}, + {"stenosis_coefficient", stenosis_coeff}}; + } else { + double stenosis_coeff = 0.0; + if (num_params > 3) { + stenosis_coeff = alpha[block->global_param_ids[3]]; + } + double c_value = 0.0; + if (!zero_capacitance) { + c_value = alpha[block->global_param_ids[1]]; + } + vessel_config["zero_d_element_values"] = { + {"R_poiseuille", alpha[block->global_param_ids[0]]}, + {"C", std::max(c_value, 0.0)}, + {"L", std::max(alpha[block->global_param_ids[2]], 0.0)}, + {"stenosis_coefficient", stenosis_coeff}}; } - vessel_config["zero_d_element_values"] = { - {"R_poiseuille", alpha[block->global_param_ids[0]]}, - {"C", std::max(c_value, 0.0)}, - {"L", std::max(alpha[block->global_param_ids[2]], 0.0)}, - {"stenosis_coefficient", stenosis_coeff}}; } for (auto& junction_config : output_config["junctions"]) { std::string junction_name = junction_config["junction_name"]; diff --git a/src/solve/SimulationParameters.cpp b/src/solve/SimulationParameters.cpp index da34ee366..aa6df0119 100644 --- a/src/solve/SimulationParameters.cpp +++ b/src/solve/SimulationParameters.cpp @@ -337,8 +337,17 @@ void create_vessels( const std::string vessel_name = vessel_config["vessel_name"]; vessel_id_map.insert({vessel_config["vessel_id"], vessel_name}); - generate_block(model, vessel_values, vessel_config["zero_d_element_type"], - vessel_name); + std::string element_type = + vessel_config["zero_d_element_type"].get(); + nlohmann::json block_params = vessel_values; + if (element_type == "BloodVesselFC") { + if (block_params.contains("C")) { + model.fixed_capacitance[vessel_name] = block_params["C"].get(); + block_params.erase("C"); + } + } + + generate_block(model, block_params, element_type, vessel_name); // Read connected boundary conditions if (vessel_config.contains("boundary_conditions")) { diff --git a/src/solve/csv_writer.cpp b/src/solve/csv_writer.cpp index 8dbdda49b..d4d475af9 100644 --- a/src/solve/csv_writer.cpp +++ b/src/solve/csv_writer.cpp @@ -44,6 +44,7 @@ std::string to_vessel_csv(const std::vector& times, // Extract global solution indices of the block if (dynamic_cast(block) == nullptr && + dynamic_cast(block) == nullptr && dynamic_cast(block) == nullptr && dynamic_cast(block) == nullptr && dynamic_cast(block) == nullptr && diff --git a/tests/cases/calibration_BloodVesselFC_fixedC1e-6.json 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a/tests/cases/dirgraph-results/calibration_BloodVesselFC_fixedC1e-6_directed_graph.dot b/tests/cases/dirgraph-results/calibration_BloodVesselFC_fixedC1e-6_directed_graph.dot new file mode 100644 index 000000000..93378161d --- /dev/null +++ b/tests/cases/dirgraph-results/calibration_BloodVesselFC_fixedC1e-6_directed_graph.dot @@ -0,0 +1,7 @@ +strict digraph { +BC0_inlet; +V0; +BC0_outlet; +BC0_inlet -> V0; +V0 -> BC0_outlet; +} diff --git a/tests/cases/dirgraph-results/pulsatileFlow_R_RCR_fixedCap1e-6_BloodVesselFC_directed_graph.dot b/tests/cases/dirgraph-results/pulsatileFlow_R_RCR_fixedCap1e-6_BloodVesselFC_directed_graph.dot new file mode 100644 index 000000000..93378161d --- /dev/null +++ b/tests/cases/dirgraph-results/pulsatileFlow_R_RCR_fixedCap1e-6_BloodVesselFC_directed_graph.dot @@ -0,0 +1,7 @@ +strict digraph { +BC0_inlet; +V0; +BC0_outlet; +BC0_inlet -> V0; +V0 -> BC0_outlet; +} diff --git a/tests/cases/dirgraph-results/pulsatileFlow_R_RCR_fixedCap1e-6_BloodVessel_directed_graph.dot b/tests/cases/dirgraph-results/pulsatileFlow_R_RCR_fixedCap1e-6_BloodVessel_directed_graph.dot new file mode 100644 index 000000000..93378161d --- /dev/null +++ b/tests/cases/dirgraph-results/pulsatileFlow_R_RCR_fixedCap1e-6_BloodVessel_directed_graph.dot @@ -0,0 +1,7 @@ +strict digraph { +BC0_inlet; +V0; +BC0_outlet; +BC0_inlet -> V0; +V0 -> BC0_outlet; +} diff --git a/tests/cases/pulsatileFlow_R_RCR_fixedCap1e-6_BloodVessel.json b/tests/cases/pulsatileFlow_R_RCR_fixedCap1e-6_BloodVessel.json new file mode 100644 index 000000000..19ae6af87 --- /dev/null +++ b/tests/cases/pulsatileFlow_R_RCR_fixedCap1e-6_BloodVessel.json @@ -0,0 +1,94 @@ +{ + "description": { + "description of test case": "pulsatile flow -> R -> RCR with explicit small vessel C (BloodVessel)", + "analytical results": [ + "Same topology as pulsatileFlow_R_RCR; vessel C = 1e-6, L = 0, no stenosis." + ] + }, + "boundary_conditions": [ + { + "bc_name": "INFLOW", + "bc_type": "FLOW", + "bc_values": { + "Q": [ + 2.2, 2.35697629882328, 2.51333308391076, 2.66845328646431, + 2.82172471791214, 2.97254248593737, 3.1203113817117, 3.26444822891268, + 3.40438418525429, 3.53956698744749, 3.66946313073118, + 3.79355997437172, 3.91136776482172, 4.02242156855353, + 4.12628310693947, 4.22254248593737, 4.31081981375504, + 4.39076670010966, 4.46206763116505, 4.52444121472063, + 4.57764129073788, 4.62145790282158, 4.65571812682172, 4.6802867532862, + 4.69506682107068, 4.7, 4.69506682107068, 4.6802867532862, + 4.65571812682172, 4.62145790282158, 4.57764129073788, + 4.52444121472063, 4.46206763116505, 4.39076670010966, + 4.31081981375504, 4.22254248593737, 4.12628310693947, + 4.02242156855353, 3.91136776482172, 3.79355997437172, + 3.66946313073118, 3.53956698744749, 3.40438418525429, + 3.26444822891268, 3.1203113817117, 2.97254248593737, 2.82172471791214, + 2.66845328646431, 2.51333308391076, 2.35697629882328, 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"vessel_id": 0, + "vessel_length": 10.0, + "vessel_name": "branch0_seg0", + "zero_d_element_type": "BloodVessel", + "zero_d_element_values": { + "R_poiseuille": 100.0, + "C": 1e-6, + "L": 0.0, + "stenosis_coefficient": 0.0 + } + } + ] +} diff --git a/tests/cases/pulsatileFlow_R_RCR_fixedCap1e-6_BloodVesselFC.json b/tests/cases/pulsatileFlow_R_RCR_fixedCap1e-6_BloodVesselFC.json new file mode 100644 index 000000000..267cc5df8 --- /dev/null +++ b/tests/cases/pulsatileFlow_R_RCR_fixedCap1e-6_BloodVesselFC.json @@ -0,0 +1,94 @@ +{ + "description": { + "description of test case": "pulsatile flow -> R -> RCR with fixed vessel C via BloodVesselFC", + "analytical results": [ + "Same physics as pulsatileFlow_R_RCR_fixedCap1e-6_BloodVessel; C supplied for fixed capacitance map." + ] + }, + "boundary_conditions": [ + { + "bc_name": "INFLOW", + "bc_type": "FLOW", + "bc_values": { + "Q": [ + 2.2, 2.35697629882328, 2.51333308391076, 2.66845328646431, + 2.82172471791214, 2.97254248593737, 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\ No newline at end of file diff --git a/tests/compute_ref_sol.py b/tests/compute_ref_sol.py index f401215e5..c0b701d3c 100644 --- a/tests/compute_ref_sol.py +++ b/tests/compute_ref_sol.py @@ -37,6 +37,7 @@ def compute_all_ref_sol(tolerance=None): """ testfiles = [f for f in os.listdir(os.path.join(this_file_dir, 'cases')) if f.endswith('.json')] testfiles.remove("steadyFlow_calibration.json") + testfiles.remove("calibration_BloodVesselFC_fixedC1e-6.json") for testfile in testfiles: if tolerance is not None: set_absolute_tolerance(testfile, tolerance) diff --git a/tests/test_calibrator.py b/tests/test_calibrator.py index 67d8251ba..4dce8250e 100644 --- a/tests/test_calibrator.py +++ b/tests/test_calibrator.py @@ -9,6 +9,36 @@ this_file_dir = os.path.abspath(os.path.dirname(__file__)) +def test_calibration_blood_vessel_fc_fixed_capacitance(): + """BloodVesselFC: C fixed from JSON; R, L, stenosis fit to pulsatile-derived data.""" + testfile = os.path.join( + this_file_dir, "cases", "calibration_BloodVesselFC_fixedC1e-6.json" + ) + + result, _ = execute_pysvzerod(testfile, "calibrator") + + calibrated_parameters = result["vessels"][0]["zero_d_element_values"] + + # Pulsatile + numeric gradients: looser than RTOL_PRES; C must match fixed input. + assert np.isclose( + np.mean(calibrated_parameters["R_poiseuille"]), + 100.0, + rtol=1e-4, + atol=0.05, + ) + assert np.isclose( + np.mean(calibrated_parameters["L"]), 1.0, rtol=2e-2, atol=0.02 + ) + assert np.isclose( + np.mean(calibrated_parameters["C"]), 1e-6, rtol=0.0, atol=1e-12 + ) + assert np.isclose( + np.mean(calibrated_parameters["stenosis_coefficient"]), + 0.0, + atol=5e-3, + ) + + def test_steady_flow_calibration(): testfile = os.path.join(this_file_dir, "cases", "steadyFlow_calibration.json") diff --git a/tests/test_dirgraph.py b/tests/test_dirgraph.py index fe5bd65e7..ddadbe560 100644 --- a/tests/test_dirgraph.py +++ b/tests/test_dirgraph.py @@ -1,8 +1,9 @@ -import pytest -import filecmp import os +import shutil import sys +import pytest + # Append the 'applications/dirgraph' directory to the system path for imports sys.path.append(os.path.abspath(os.path.join(os.path.dirname(__file__), '../applications/svZeroDVisualization'))) @@ -13,6 +14,11 @@ cases_dir = os.path.abspath(os.path.join(os.path.dirname(__file__), 'cases')) results_dir = os.path.abspath(os.path.join(os.path.dirname(__file__), 'cases/dirgraph-results')) +pytestmark = pytest.mark.skipif( + shutil.which("dot") is None, + reason="Graphviz executable 'dot' not found in PATH (required for directed graph layout)", +) + # List of files to exclude excluded_files = [ diff --git a/tests/test_solver.py b/tests/test_solver.py index 2b6d365f2..ea7a102cc 100644 --- a/tests/test_solver.py +++ b/tests/test_solver.py @@ -28,7 +28,9 @@ 'coupledBlock_closedLoopHeart_singleVessel.json', 'steadyFlow_R_steadyPressure.json', 'steadyFlow_bifurcationR_R1_blockNames.json', - 'pulsatileFlow_R_RCR.json', + 'pulsatileFlow_R_RCR.json', + 'pulsatileFlow_R_RCR_fixedCap1e-6_BloodVessel.json', + 'pulsatileFlow_R_RCR_fixedCap1e-6_BloodVesselFC.json', 'closedLoopHeart_withCoronaries.json', 'steadyFlow_RL_R.json', 'steadyFlow_bifurcationR_R2.json', diff --git a/tests/utils.py b/tests/utils.py index 41fc68243..1b85b41f2 100644 --- a/tests/utils.py +++ b/tests/utils.py @@ -1,8 +1,36 @@ import json import os import subprocess +import sys from tempfile import TemporaryDirectory +# Prefer the freshly built extension in build/python over any pysvzerod*.so +# dropped in the repository root (wrong arch / stale builds break imports). +this_file_dir = os.path.abspath(os.path.dirname(__file__)) +_repo_root = os.path.abspath(os.path.join(this_file_dir, "..")) + + +def _has_pysvzerod_extension(directory): + try: + for name in os.listdir(directory): + if name.startswith("pysvzerod") and ( + name.endswith(".so") or name.endswith(".pyd") + ): + return True + except OSError: + pass + return False + + +for _subdir in ( + os.path.join(_repo_root, "build", "python"), + os.path.join(_repo_root, "Release", "python"), + os.path.join(_repo_root, "Debug", "python"), +): + if os.path.isdir(_subdir) and _has_pysvzerod_extension(_subdir): + sys.path.insert(0, _subdir) + break + import numpy as np import pandas as pd @@ -12,8 +40,6 @@ import pysvzerod -this_file_dir = os.path.abspath(os.path.dirname(__file__)) - RTOL_PRES = 1.0e-7 RTOL_FLOW = 1.0e-7 From bbed6704cdb07e21cef20c8872d65c916440f3da Mon Sep 17 00:00:00 2001 From: natalia-rubio Date: Fri, 10 Apr 2026 16:50:23 -0700 Subject: [PATCH 2/6] added tests --- CMakeLists.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 7e0468eed..19f8e5c50 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -38,7 +38,7 @@ if(ENABLE_COVERAGE) # add coverage target add_custom_target(coverage # gather data - COMMAND ${LCOV} --directory . --capture --output-file coverage.info --ignore-errors gcov --exclude '/usr/include/*' --exclude '/usr/lib/*' --exclude '*/_deps/*' + COMMAND ${LCOV} --directory . --capture --output-file coverage.info --ignore-errors gcov --ignore-errors mismatch --exclude '/usr/include/*' --exclude '/usr/lib/*' --exclude '*/_deps/*' # generate report COMMAND ${GENHTML} --demangle-cpp -o coverage coverage.info WORKING_DIRECTORY ${CMAKE_BINARY_DIR}) From 53c55f04c2f5d1cf8ae84d3f3bf2702b1abf3c34 Mon Sep 17 00:00:00 2001 From: natalia-rubio Date: Fri, 10 Apr 2026 17:19:17 -0700 Subject: [PATCH 3/6] fixed json formatting --- .../calibration_BloodVesselFC_fixedC1e-6.json | 1313 +- ...leFlow_R_RCR_fixedCap1e-6_BloodVessel.json | 12021 +++++++++++++++- ...Flow_R_RCR_fixedCap1e-6_BloodVesselFC.json | 12021 +++++++++++++++- 3 files changed, 24343 insertions(+), 1012 deletions(-) diff --git a/tests/cases/calibration_BloodVesselFC_fixedC1e-6.json b/tests/cases/calibration_BloodVesselFC_fixedC1e-6.json index 323dd7ca2..d98d9b2b0 100644 --- a/tests/cases/calibration_BloodVesselFC_fixedC1e-6.json +++ 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1222.3002317919, + "1984": 1320.3697722228, + "1985": 1421.7967443213, + "1986": 1525.8653429015, + "1987": 1633.0468644892, + "1988": 1742.7038100046, + "1989": 1855.2168845823, + "1990": 1970.0294111664, + "1991": 2087.4300010312, + "1992": 2206.9449960944, + "1993": 2328.7697747533, + "1994": 2452.5155672112, + "1995": 2578.2837479193, + "1996": 2705.7719696633, + "1997": 2834.9872028693, + "1998": 2965.714716132, + "1999": 3097.8670483432, + "2000": 3231.3179313535 + } +} From e7dd371d90d1e554dae38092f9ea744f2f86c6e2 Mon Sep 17 00:00:00 2001 From: natalia-rubio Date: Fri, 10 Apr 2026 17:30:29 -0700 Subject: [PATCH 4/6] clang fixes --- src/model/BloodVesselFC.cpp | 23 ++++++++++++----------- src/model/BloodVesselFC.h | 1 - src/optimize/calibrate.cpp | 14 ++++++-------- 3 files changed, 18 insertions(+), 20 deletions(-) diff --git a/src/model/BloodVesselFC.cpp b/src/model/BloodVesselFC.cpp index f5a595204..49d736f96 100644 --- a/src/model/BloodVesselFC.cpp +++ b/src/model/BloodVesselFC.cpp @@ -1,9 +1,10 @@ // SPDX-FileCopyrightText: Copyright (c) Stanford University, The Regents of the // University of California, and others. SPDX-License-Identifier: BSD-3-Clause +#include "BloodVesselFC.h" + #include -#include "BloodVesselFC.h" #include "Model.h" void BloodVesselFC::setup_dofs(DOFHandler& dofhandler) { @@ -15,7 +16,7 @@ void BloodVesselFC::update_constant(SparseSystem& system, // Get parameters double inductance = parameters[global_param_ids[ParamId::INDUCTANCE]]; double resistance = parameters[global_param_ids[ParamId::RESISTANCE]]; - + // Get fixed capacitance from model by looking up this block's name double capacitance = 0.0; std::string block_name = ""; @@ -57,9 +58,10 @@ void BloodVesselFC::update_solution( if (!block_name.empty() && model->fixed_capacitance.count(block_name)) { capacitance = model->fixed_capacitance.at(block_name); } - + double stenosis_coeff = 0.0; - if (global_param_ids.size() > static_cast(ParamId::STENOSIS_COEFFICIENT)) { + if (global_param_ids.size() > + static_cast(ParamId::STENOSIS_COEFFICIENT)) { stenosis_coeff = parameters[global_param_ids[ParamId::STENOSIS_COEFFICIENT]]; } @@ -95,7 +97,7 @@ void BloodVesselFC::update_gradient( auto dy0 = dy[global_var_ids[0]]; auto dy1 = dy[global_var_ids[1]]; auto dy3 = dy[global_var_ids[3]]; - + // Skip residual computation if any required observation is missing (NaN) if (std::isnan(y0) || std::isnan(y1) || std::isnan(y2) || std::isnan(y3) || std::isnan(dy0) || std::isnan(dy1) || std::isnan(dy3)) { @@ -109,7 +111,7 @@ void BloodVesselFC::update_gradient( if (global_param_ids.size() > 2) { stenosis_coeff = alpha[global_param_ids[ParamId::STENOSIS_COEFFICIENT]]; } - + // Get fixed capacitance from model std::string block_name = ""; for (size_t i = 0; i < model->get_num_blocks(); i++) { @@ -122,16 +124,16 @@ void BloodVesselFC::update_gradient( if (!block_name.empty() && model->fixed_capacitance.count(block_name)) { capacitance = model->fixed_capacitance.at(block_name); } - + auto stenosis_resistance = stenosis_coeff * fabs(y1); // Jacobian entries for R (param 0) - same as BloodVessel jacobian.coeffRef(global_eqn_ids[0], global_param_ids[0]) = -y1; jacobian.coeffRef(global_eqn_ids[1], global_param_ids[0]) = capacitance * dy1; - + // Jacobian entries for L (param 1) - same as BloodVessel param 2 jacobian.coeffRef(global_eqn_ids[0], global_param_ids[1]) = -dy3; - + // Note: No Jacobian entries for C since it's fixed! if (global_param_ids.size() > 2) { @@ -146,6 +148,5 @@ void BloodVesselFC::update_gradient( y0 - (resistance + stenosis_resistance) * y1 - y2 - inductance * dy3; residual(global_eqn_ids[1]) = (y1 - y3 - capacitance * dy0 + - capacitance * (resistance + 2.0 * stenosis_resistance) * dy1); + capacitance * (resistance + 2.0 * stenosis_resistance) * dy1); } - diff --git a/src/model/BloodVesselFC.h b/src/model/BloodVesselFC.h index 1744d9ca5..82c7cdff8 100644 --- a/src/model/BloodVesselFC.h +++ b/src/model/BloodVesselFC.h @@ -106,4 +106,3 @@ class BloodVesselFC : public Block { }; #endif // SVZERODSOLVER_MODEL_BLOODVESSELFC_HPP_ - diff --git a/src/optimize/calibrate.cpp b/src/optimize/calibrate.cpp index 8e46ff4b0..80675a5c3 100644 --- a/src/optimize/calibrate.cpp +++ b/src/optimize/calibrate.cpp @@ -170,8 +170,7 @@ nlohmann::json calibrate(const nlohmann::json& config) { std::string vessel_name = vessel_config["vessel_name"]; DEBUG_MSG("Reading initial alpha for " << vessel_name); auto block = model.get_block(vessel_name); - std::string vtype = - vessel_config["zero_d_element_type"].get(); + std::string vtype = vessel_config["zero_d_element_type"].get(); if (vtype == "BloodVesselFC") { alpha[block->global_param_ids[0]] = vessel_config["zero_d_element_values"].value("R_poiseuille", 0.0); @@ -179,8 +178,8 @@ nlohmann::json calibrate(const nlohmann::json& config) { vessel_config["zero_d_element_values"].value("L", 0.0); if (calibrate_stenosis) { alpha[block->global_param_ids[2]] = - vessel_config["zero_d_element_values"].value( - "stenosis_coefficient", 0.0); + vessel_config["zero_d_element_values"].value("stenosis_coefficient", + 0.0); } } else { alpha[block->global_param_ids[0]] = @@ -191,8 +190,8 @@ nlohmann::json calibrate(const nlohmann::json& config) { vessel_config["zero_d_element_values"].value("L", 0.0); if (num_params > 3) { alpha[block->global_param_ids[3]] = - vessel_config["zero_d_element_values"].value( - "stenosis_coefficient", 0.0); + vessel_config["zero_d_element_values"].value("stenosis_coefficient", + 0.0); } } } @@ -244,8 +243,7 @@ nlohmann::json calibrate(const nlohmann::json& config) { for (auto& vessel_config : output_config["vessels"]) { std::string vessel_name = vessel_config["vessel_name"]; auto block = model.get_block(vessel_name); - std::string vtype = - vessel_config["zero_d_element_type"].get(); + std::string vtype = vessel_config["zero_d_element_type"].get(); if (vtype == "BloodVesselFC") { double c_value = 0.0; if (!zero_capacitance) { From ab9ebfa2a68cac46b5f965cceaa3447b761ae194 Mon Sep 17 00:00:00 2001 From: natalia-rubio Date: Fri, 17 Apr 2026 14:41:45 -0700 Subject: [PATCH 5/6] add spy plot --- scripts/plot_calibration_jacobian_spy.py | 117 +++++++++++++++++++ src/optimize/LevenbergMarquardtOptimizer.cpp | 17 ++- src/optimize/LevenbergMarquardtOptimizer.h | 9 +- src/optimize/calibrate.cpp | 44 ++++++- 4 files changed, 182 insertions(+), 5 deletions(-) create mode 100644 scripts/plot_calibration_jacobian_spy.py diff --git a/scripts/plot_calibration_jacobian_spy.py b/scripts/plot_calibration_jacobian_spy.py new file mode 100644 index 000000000..4a6749805 --- /dev/null +++ b/scripts/plot_calibration_jacobian_spy.py @@ -0,0 +1,117 @@ +#!/usr/bin/env python3 +# SPDX-FileCopyrightText: Copyright (c) Stanford University, The Regents of the +# University of California, and others. SPDX-License-Identifier: BSD-3-Clause +"""Plot sparsity pattern of a Matrix Market sparse matrix (e.g. calibration Jacobian). + +Dependencies: scipy, matplotlib + +Examples: + python scripts/plot_calibration_jacobian_spy.py /tmp/calib_J.mtx + python scripts/plot_calibration_jacobian_spy.py /tmp/calib_J.mtx --mathtext -o /tmp/spy.png + +Very large matrices may be slow or memory-heavy for matplotlib's spy(). + +By default, text is rendered with your system LaTeX (matplotlib text.usetex; +requires pdflatex and related tools on PATH). Pass --mathtext to use only +matplotlib's built-in mathtext (no TeX install). + +Fonts: Computer Modern (serif) for math; serif text (LaTeX defaults when using +TeX; mathtext ``cm`` + matplotlib serif family when using --mathtext). +""" + +from __future__ import annotations + +import argparse +import os +import sys + + +def main() -> int: + parser = argparse.ArgumentParser( + description="Spy plot of a Matrix Market (.mtx) sparse matrix." + ) + parser.add_argument( + "input_mtx", + help="Path to Matrix Market file (e.g. from export_calibration_jacobian).", + ) + parser.add_argument( + "--output", + "-o", + default=None, + help="Output PNG path (default: same basename as INPUT with .png).", + ) + parser.add_argument( + "--mathtext", + action="store_true", + help="Use matplotlib mathtext only (no system LaTeX). Default is LaTeX.", + ) + args = parser.parse_args() + + try: + import matplotlib as mpl + import matplotlib.pyplot as plt + import numpy as np + from scipy import sparse as sp_sparse + from scipy.io import mmread + except ImportError as e: + print("Requires scipy and matplotlib:", e, file=sys.stderr) + return 1 + + use_latex = not args.mathtext + + # Serif + Computer Modern (not sans-serif) + mpl.rcParams["font.family"] = "serif" + mpl.rcParams["axes.unicode_minus"] = False + if use_latex: + mpl.rcParams["text.usetex"] = True + mpl.rcParams["text.latex.preamble"] = ( + r"\usepackage{amssymb}" + r"\usepackage{amsmath}" + r"\renewcommand{\familydefault}{\rmdefault}" + ) + else: + mpl.rcParams["mathtext.fontset"] = "cm" + + if not os.path.isfile(args.input_mtx): + print(f"Not a file: {args.input_mtx}", file=sys.stderr) + return 1 + + a = mmread(args.input_mtx) + out = args.output + if out is None: + base, _ = os.path.splitext(args.input_mtx) + out = base + ".pdf" + + n_rows, n_cols = a.shape + if sp_sparse.issparse(a): + nnz = a.nnz + else: + nnz = int(np.count_nonzero(a)) + + basename = os.path.basename(args.input_mtx) + basename_tex = basename.replace("_", r"\_") if use_latex else basename + + fig, ax = plt.subplots(figsize=(8, 8)) + ax.spy(a, markersize=0.5, aspect="auto") + title_line1 = r"$\mathbf{J}\ \mathrm{sparsity}$" + title_line2 = ( + rf"$\mathbf{{J}} \in \mathbb{{R}}^{{{n_rows}\times{n_cols}}}$, " + rf"$|\mathrm{{nnz}}| = {nnz}$" + ) + if use_latex: + title_line3 = rf"\textrm{{{basename_tex}}}" + title = title_line1 + "\n" + title_line2 + "\n" + title_line3 + else: + title = title_line1 + "\n" + title_line2 + "\n" + basename_tex + ax.set_title(title, fontsize=11) + ax.set_xlabel(r"parameter index $j$ (column)", fontsize=12) + ax.set_ylabel(r"residual index $i$ (row)", fontsize=12) + fig.tight_layout() + fig.savefig(out, dpi=150) + plt.close(fig) + print(out) + return 0 + + +if __name__ == "__main__": + raise SystemExit(main()) diff --git a/src/optimize/LevenbergMarquardtOptimizer.cpp b/src/optimize/LevenbergMarquardtOptimizer.cpp index 40d5fbcef..d46f787c8 100644 --- a/src/optimize/LevenbergMarquardtOptimizer.cpp +++ b/src/optimize/LevenbergMarquardtOptimizer.cpp @@ -2,11 +2,15 @@ // University of California, and others. SPDX-License-Identifier: BSD-3-Clause #include "LevenbergMarquardtOptimizer.h" +#include + +#include #include +#include LevenbergMarquardtOptimizer::LevenbergMarquardtOptimizer( Model* model, int num_obs, int num_params, double lambda0, double tol_grad, - double tol_inc, int max_iter) { + double tol_inc, int max_iter, const std::string& jacobian_export_file_in) { this->model = model; this->num_obs = num_obs; this->num_params = num_params; @@ -17,6 +21,7 @@ LevenbergMarquardtOptimizer::LevenbergMarquardtOptimizer( this->tol_grad = tol_grad; this->tol_inc = tol_inc; this->max_iter = max_iter; + this->jacobian_export_file = jacobian_export_file_in; jacobian = Eigen::SparseMatrix(num_dpoints, num_params); residual = Eigen::Matrix::Zero(num_dpoints); @@ -32,6 +37,16 @@ Eigen::Matrix LevenbergMarquardtOptimizer::run( for (size_t i = 0; i < max_iter; i++) { update_gradient(alpha, y_obs, dy_obs); + if (i == 0 && !jacobian_export_file.empty()) { + jacobian.makeCompressed(); + if (!Eigen::saveMarket(jacobian, jacobian_export_file)) { + std::cerr << "ERROR: Failed to write calibration Jacobian Matrix Market " + "file: " + << jacobian_export_file << std::endl; + std::exit(1); + } + } + if (i == 0) { update_delta(true); } else { diff --git a/src/optimize/LevenbergMarquardtOptimizer.h b/src/optimize/LevenbergMarquardtOptimizer.h index 9578c5090..b1b7a5c54 100644 --- a/src/optimize/LevenbergMarquardtOptimizer.h +++ b/src/optimize/LevenbergMarquardtOptimizer.h @@ -9,6 +9,7 @@ #include #include +#include #include "Model.h" @@ -71,6 +72,8 @@ * \dot{\mathbf{y}}+\frac{\partial \mathbf{F}}{\partial \boldsymbol{\alpha}} * \cdot \mathbf{y}+\frac{\partial \mathbf{c}}{\partial \boldsymbol{\alpha}} \f] * + * Optionally, after the first Jacobian assembly, \f$\mathbf{J}\f$ may be written + * to a Matrix Market file (see \c jacobian_export_file in the constructor). * */ class LevenbergMarquardtOptimizer { @@ -85,10 +88,13 @@ class LevenbergMarquardtOptimizer { * @param tol_grad Gradient tolerance * @param tol_inc Parameter increment tolerance * @param max_iter Maximum iterations + * @param jacobian_export_file If non-empty, write \f$\mathbf{J}\f$ to this path + * (Matrix Market) after the first \c update_gradient in \c run(). */ LevenbergMarquardtOptimizer(Model* model, int num_obs, int num_params, double lambda0, double tol_grad, double tol_inc, - int max_iter); + int max_iter, + const std::string& jacobian_export_file = ""); /** * @brief Run the optimization algorithm @@ -122,6 +128,7 @@ class LevenbergMarquardtOptimizer { double tol_grad; double tol_inc; int max_iter; + std::string jacobian_export_file; void update_gradient(Eigen::Matrix& alpha, std::vector>& y_obs, diff --git a/src/optimize/calibrate.cpp b/src/optimize/calibrate.cpp index 80675a5c3..bb7a046e6 100644 --- a/src/optimize/calibrate.cpp +++ b/src/optimize/calibrate.cpp @@ -5,12 +5,30 @@ #include "LevenbergMarquardtOptimizer.h" #include "SimulationParameters.h" +#include +#include +#include + nlohmann::json calibrate(const nlohmann::json& config) { auto output_config = nlohmann::json(config); // Read calibration parameters DEBUG_MSG("Parse calibration parameters"); + if (!config.contains("calibration_parameters")) { + std::cerr << "ERROR: config is missing \"calibration_parameters\" (must be " + "a JSON object)." + << std::endl; + std::exit(1); + } auto const& calibration_parameters = config["calibration_parameters"]; + if (!calibration_parameters.is_object()) { + std::cerr << "ERROR: \"calibration_parameters\" must be a JSON object with " + "keys such as \"maximum_iterations\" and " + "\"tolerance_gradient\". It cannot be a number, string, or " + "array." + << std::endl; + std::exit(1); + } double gradient_tol = calibration_parameters.value("tolerance_gradient", 1e-5); double increment_tol = @@ -21,6 +39,26 @@ nlohmann::json calibrate(const nlohmann::json& config) { bool zero_capacitance = calibration_parameters.value("set_capacitance_to_zero", false); double lambda0 = calibration_parameters.value("initial_damping_factor", 1.0); + bool export_calibration_jacobian = + calibration_parameters.value("export_calibration_jacobian", false); + std::string jacobian_export_file; + if (export_calibration_jacobian) { + if (!calibration_parameters.contains("export_calibration_jacobian_file")) { + std::cerr << "ERROR: export_calibration_jacobian is true but " + "export_calibration_jacobian_file is missing" + << std::endl; + std::exit(1); + } + jacobian_export_file = + calibration_parameters["export_calibration_jacobian_file"] + .get(); + if (jacobian_export_file.empty()) { + std::cerr << "ERROR: export_calibration_jacobian_file must be non-empty " + "when export_calibration_jacobian is true" + << std::endl; + std::exit(1); + } + } int num_params = 3; if (calibrate_stenosis) { @@ -233,9 +271,9 @@ nlohmann::json calibrate(const nlohmann::json& config) { // Run optimization DEBUG_MSG("Start optimization"); - auto lm_alg = - LevenbergMarquardtOptimizer(&model, num_obs, param_counter, lambda0, - gradient_tol, increment_tol, max_iter); + auto lm_alg = LevenbergMarquardtOptimizer( + &model, num_obs, param_counter, lambda0, gradient_tol, increment_tol, + max_iter, jacobian_export_file); alpha = lm_alg.run(alpha, y_all, dy_all); From 43a16e8656dc33f9bb2f8b9a2a02c8827a314355 Mon Sep 17 00:00:00 2001 From: natalia-rubio Date: Fri, 17 Apr 2026 15:10:38 -0700 Subject: [PATCH 6/6] Revert "add spy plot" This reverts commit ab9ebfa2a68cac46b5f965cceaa3447b761ae194. --- scripts/plot_calibration_jacobian_spy.py | 117 ------------------- src/optimize/LevenbergMarquardtOptimizer.cpp | 17 +-- src/optimize/LevenbergMarquardtOptimizer.h | 9 +- src/optimize/calibrate.cpp | 44 +------ 4 files changed, 5 insertions(+), 182 deletions(-) delete mode 100644 scripts/plot_calibration_jacobian_spy.py diff --git a/scripts/plot_calibration_jacobian_spy.py b/scripts/plot_calibration_jacobian_spy.py deleted file mode 100644 index 4a6749805..000000000 --- a/scripts/plot_calibration_jacobian_spy.py +++ /dev/null @@ -1,117 +0,0 @@ -#!/usr/bin/env python3 -# SPDX-FileCopyrightText: Copyright (c) Stanford University, The Regents of the -# University of California, and others. SPDX-License-Identifier: BSD-3-Clause -"""Plot sparsity pattern of a Matrix Market sparse matrix (e.g. calibration Jacobian). - -Dependencies: scipy, matplotlib - -Examples: - python scripts/plot_calibration_jacobian_spy.py /tmp/calib_J.mtx - python scripts/plot_calibration_jacobian_spy.py /tmp/calib_J.mtx --mathtext -o /tmp/spy.png - -Very large matrices may be slow or memory-heavy for matplotlib's spy(). - -By default, text is rendered with your system LaTeX (matplotlib text.usetex; -requires pdflatex and related tools on PATH). Pass --mathtext to use only -matplotlib's built-in mathtext (no TeX install). - -Fonts: Computer Modern (serif) for math; serif text (LaTeX defaults when using -TeX; mathtext ``cm`` + matplotlib serif family when using --mathtext). -""" - -from __future__ import annotations - -import argparse -import os -import sys - - -def main() -> int: - parser = argparse.ArgumentParser( - description="Spy plot of a Matrix Market (.mtx) sparse matrix." - ) - parser.add_argument( - "input_mtx", - help="Path to Matrix Market file (e.g. from export_calibration_jacobian).", - ) - parser.add_argument( - "--output", - "-o", - default=None, - help="Output PNG path (default: same basename as INPUT with .png).", - ) - parser.add_argument( - "--mathtext", - action="store_true", - help="Use matplotlib mathtext only (no system LaTeX). Default is LaTeX.", - ) - args = parser.parse_args() - - try: - import matplotlib as mpl - import matplotlib.pyplot as plt - import numpy as np - from scipy import sparse as sp_sparse - from scipy.io import mmread - except ImportError as e: - print("Requires scipy and matplotlib:", e, file=sys.stderr) - return 1 - - use_latex = not args.mathtext - - # Serif + Computer Modern (not sans-serif) - mpl.rcParams["font.family"] = "serif" - mpl.rcParams["axes.unicode_minus"] = False - if use_latex: - mpl.rcParams["text.usetex"] = True - mpl.rcParams["text.latex.preamble"] = ( - r"\usepackage{amssymb}" - r"\usepackage{amsmath}" - r"\renewcommand{\familydefault}{\rmdefault}" - ) - else: - mpl.rcParams["mathtext.fontset"] = "cm" - - if not os.path.isfile(args.input_mtx): - print(f"Not a file: {args.input_mtx}", file=sys.stderr) - return 1 - - a = mmread(args.input_mtx) - out = args.output - if out is None: - base, _ = os.path.splitext(args.input_mtx) - out = base + ".pdf" - - n_rows, n_cols = a.shape - if sp_sparse.issparse(a): - nnz = a.nnz - else: - nnz = int(np.count_nonzero(a)) - - basename = os.path.basename(args.input_mtx) - basename_tex = basename.replace("_", r"\_") if use_latex else basename - - fig, ax = plt.subplots(figsize=(8, 8)) - ax.spy(a, markersize=0.5, aspect="auto") - title_line1 = r"$\mathbf{J}\ \mathrm{sparsity}$" - title_line2 = ( - rf"$\mathbf{{J}} \in \mathbb{{R}}^{{{n_rows}\times{n_cols}}}$, " - rf"$|\mathrm{{nnz}}| = {nnz}$" - ) - if use_latex: - title_line3 = rf"\textrm{{{basename_tex}}}" - title = title_line1 + "\n" + title_line2 + "\n" + title_line3 - else: - title = title_line1 + "\n" + title_line2 + "\n" + basename_tex - ax.set_title(title, fontsize=11) - ax.set_xlabel(r"parameter index $j$ (column)", fontsize=12) - ax.set_ylabel(r"residual index $i$ (row)", fontsize=12) - fig.tight_layout() - fig.savefig(out, dpi=150) - plt.close(fig) - print(out) - return 0 - - -if __name__ == "__main__": - raise SystemExit(main()) diff --git a/src/optimize/LevenbergMarquardtOptimizer.cpp b/src/optimize/LevenbergMarquardtOptimizer.cpp index d46f787c8..40d5fbcef 100644 --- a/src/optimize/LevenbergMarquardtOptimizer.cpp +++ b/src/optimize/LevenbergMarquardtOptimizer.cpp @@ -2,15 +2,11 @@ // University of California, and others. SPDX-License-Identifier: BSD-3-Clause #include "LevenbergMarquardtOptimizer.h" -#include - -#include #include -#include LevenbergMarquardtOptimizer::LevenbergMarquardtOptimizer( Model* model, int num_obs, int num_params, double lambda0, double tol_grad, - double tol_inc, int max_iter, const std::string& jacobian_export_file_in) { + double tol_inc, int max_iter) { this->model = model; this->num_obs = num_obs; this->num_params = num_params; @@ -21,7 +17,6 @@ LevenbergMarquardtOptimizer::LevenbergMarquardtOptimizer( this->tol_grad = tol_grad; this->tol_inc = tol_inc; this->max_iter = max_iter; - this->jacobian_export_file = jacobian_export_file_in; jacobian = Eigen::SparseMatrix(num_dpoints, num_params); residual = Eigen::Matrix::Zero(num_dpoints); @@ -37,16 +32,6 @@ Eigen::Matrix LevenbergMarquardtOptimizer::run( for (size_t i = 0; i < max_iter; i++) { update_gradient(alpha, y_obs, dy_obs); - if (i == 0 && !jacobian_export_file.empty()) { - jacobian.makeCompressed(); - if (!Eigen::saveMarket(jacobian, jacobian_export_file)) { - std::cerr << "ERROR: Failed to write calibration Jacobian Matrix Market " - "file: " - << jacobian_export_file << std::endl; - std::exit(1); - } - } - if (i == 0) { update_delta(true); } else { diff --git a/src/optimize/LevenbergMarquardtOptimizer.h b/src/optimize/LevenbergMarquardtOptimizer.h index b1b7a5c54..9578c5090 100644 --- a/src/optimize/LevenbergMarquardtOptimizer.h +++ b/src/optimize/LevenbergMarquardtOptimizer.h @@ -9,7 +9,6 @@ #include #include -#include #include "Model.h" @@ -72,8 +71,6 @@ * \dot{\mathbf{y}}+\frac{\partial \mathbf{F}}{\partial \boldsymbol{\alpha}} * \cdot \mathbf{y}+\frac{\partial \mathbf{c}}{\partial \boldsymbol{\alpha}} \f] * - * Optionally, after the first Jacobian assembly, \f$\mathbf{J}\f$ may be written - * to a Matrix Market file (see \c jacobian_export_file in the constructor). * */ class LevenbergMarquardtOptimizer { @@ -88,13 +85,10 @@ class LevenbergMarquardtOptimizer { * @param tol_grad Gradient tolerance * @param tol_inc Parameter increment tolerance * @param max_iter Maximum iterations - * @param jacobian_export_file If non-empty, write \f$\mathbf{J}\f$ to this path - * (Matrix Market) after the first \c update_gradient in \c run(). */ LevenbergMarquardtOptimizer(Model* model, int num_obs, int num_params, double lambda0, double tol_grad, double tol_inc, - int max_iter, - const std::string& jacobian_export_file = ""); + int max_iter); /** * @brief Run the optimization algorithm @@ -128,7 +122,6 @@ class LevenbergMarquardtOptimizer { double tol_grad; double tol_inc; int max_iter; - std::string jacobian_export_file; void update_gradient(Eigen::Matrix& alpha, std::vector>& y_obs, diff --git a/src/optimize/calibrate.cpp b/src/optimize/calibrate.cpp index bb7a046e6..80675a5c3 100644 --- a/src/optimize/calibrate.cpp +++ b/src/optimize/calibrate.cpp @@ -5,30 +5,12 @@ #include "LevenbergMarquardtOptimizer.h" #include "SimulationParameters.h" -#include -#include -#include - nlohmann::json calibrate(const nlohmann::json& config) { auto output_config = nlohmann::json(config); // Read calibration parameters DEBUG_MSG("Parse calibration parameters"); - if (!config.contains("calibration_parameters")) { - std::cerr << "ERROR: config is missing \"calibration_parameters\" (must be " - "a JSON object)." - << std::endl; - std::exit(1); - } auto const& calibration_parameters = config["calibration_parameters"]; - if (!calibration_parameters.is_object()) { - std::cerr << "ERROR: \"calibration_parameters\" must be a JSON object with " - "keys such as \"maximum_iterations\" and " - "\"tolerance_gradient\". It cannot be a number, string, or " - "array." - << std::endl; - std::exit(1); - } double gradient_tol = calibration_parameters.value("tolerance_gradient", 1e-5); double increment_tol = @@ -39,26 +21,6 @@ nlohmann::json calibrate(const nlohmann::json& config) { bool zero_capacitance = calibration_parameters.value("set_capacitance_to_zero", false); double lambda0 = calibration_parameters.value("initial_damping_factor", 1.0); - bool export_calibration_jacobian = - calibration_parameters.value("export_calibration_jacobian", false); - std::string jacobian_export_file; - if (export_calibration_jacobian) { - if (!calibration_parameters.contains("export_calibration_jacobian_file")) { - std::cerr << "ERROR: export_calibration_jacobian is true but " - "export_calibration_jacobian_file is missing" - << std::endl; - std::exit(1); - } - jacobian_export_file = - calibration_parameters["export_calibration_jacobian_file"] - .get(); - if (jacobian_export_file.empty()) { - std::cerr << "ERROR: export_calibration_jacobian_file must be non-empty " - "when export_calibration_jacobian is true" - << std::endl; - std::exit(1); - } - } int num_params = 3; if (calibrate_stenosis) { @@ -271,9 +233,9 @@ nlohmann::json calibrate(const nlohmann::json& config) { // Run optimization DEBUG_MSG("Start optimization"); - auto lm_alg = LevenbergMarquardtOptimizer( - &model, num_obs, param_counter, lambda0, gradient_tol, increment_tol, - max_iter, jacobian_export_file); + auto lm_alg = + LevenbergMarquardtOptimizer(&model, num_obs, param_counter, lambda0, + gradient_tol, increment_tol, max_iter); alpha = lm_alg.run(alpha, y_all, dy_all);