// Copyright (c) 2017-2023, Lawrence Livermore National Security, LLC and other CEED contributors. // All Rights Reserved. See the top-level LICENSE and NOTICE files for details. // // SPDX-License-Identifier: BSD-2-Clause // // This file is part of CEED: http://github.com/ceed /// @file /// Structs and helper functions for data-driven subgrid-stress modeling /// See 'Invariant data-driven subgrid stress modeling in the strain-rate eigenframe for large eddy simulation' 2022 and 'S-frame discrepancy /// correction models for data-informed Reynolds stress closure' 2022 #ifndef sgs_dd_model_h #define sgs_dd_model_h #include #include "newtonian_types.h" #include "newtonian_state.h" #include "utils.h" #include "utils_eigensolver_jacobi.h" typedef struct SGS_DD_ModelContext_ *SGS_DDModelContext; struct SGS_DD_ModelContext_ { CeedInt num_inputs, num_outputs; CeedInt num_layers; CeedInt num_neurons; CeedScalar alpha; struct NewtonianIdealGasContext_ gas; struct { size_t bias1, bias2; size_t weight1, weight2; size_t out_scaling; } offsets; size_t total_bytes; CeedScalar data[1]; }; // @brief Calculate the inverse of the multiplicity, reducing to a single component CEED_QFUNCTION(InverseMultiplicity)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) { const CeedScalar(*multiplicity)[CEED_Q_VLA] = (const CeedScalar(*)[CEED_Q_VLA])in[0]; CeedScalar(*inv_multiplicity) = (CeedScalar(*))out[0]; CeedPragmaSIMD for (CeedInt i = 0; i < Q; i++) inv_multiplicity[i] = 1.0 / multiplicity[0][i]; return 0; } // @brief Calculate Frobenius norm of velocity gradient from eigenframe quantities CEED_QFUNCTION_HELPER CeedScalar VelocityGradientMagnitude(const CeedScalar strain_sframe[3], const CeedScalar vorticity_sframe[3]) { return sqrt(Dot3(strain_sframe, strain_sframe) + 0.5 * Dot3(vorticity_sframe, vorticity_sframe)); }; // @brief Denormalize outputs using min-max (de-)normalization CEED_QFUNCTION_HELPER void DenormalizeDDOutputs(CeedScalar output[6], const CeedScalar new_bounds[6][2], const CeedScalar old_bounds[6][2]) { CeedScalar bounds_ratio; for (int i = 0; i < 6; i++) { bounds_ratio = (new_bounds[i][1] - new_bounds[i][0]) / (old_bounds[i][1] - old_bounds[i][0]); output[i] = bounds_ratio * (output[i] - old_bounds[i][1]) + new_bounds[i][1]; } } // @brief Change the order of basis vectors so that they align with vector and obey right-hand rule // @details The e_1 and e_3 basis vectors are the closest aligned to the vector. The e_2 is set via e_3 x e_1 // The basis vectors are assumed to form the rows of the basis matrix. CEED_QFUNCTION_HELPER void OrientBasisWithVector(CeedScalar basis[3][3], const CeedScalar vector[3]) { CeedScalar alignment[3] = {0.}, cross[3]; MatVec3(basis, vector, CEED_NOTRANSPOSE, alignment); if (alignment[0] < 0) ScaleN(basis[0], -1, 3); if (alignment[2] < 0) ScaleN(basis[2], -1, 3); Cross3(basis[2], basis[0], cross); CeedScalar basis_1_orientation = Dot3(cross, basis[1]); if (basis_1_orientation < 0) ScaleN(basis[1], -1, 3); } CEED_QFUNCTION_HELPER void LeakyReLU(CeedScalar *x, const CeedScalar alpha, const CeedInt N) { for (CeedInt i = 0; i < N; i++) x[i] *= (x[i] < 0 ? alpha : 1.); } CEED_QFUNCTION_HELPER void DataDrivenInference(const CeedScalar *inputs, CeedScalar *outputs, SGS_DDModelContext sgsdd_ctx) { const CeedInt num_neurons = sgsdd_ctx->num_neurons; const CeedInt num_inputs = sgsdd_ctx->num_inputs; const CeedInt num_outputs = sgsdd_ctx->num_outputs; const CeedScalar alpha = sgsdd_ctx->alpha; const CeedScalar *bias1 = &sgsdd_ctx->data[sgsdd_ctx->offsets.bias1]; const CeedScalar *bias2 = &sgsdd_ctx->data[sgsdd_ctx->offsets.bias2]; const CeedScalar *weight1 = &sgsdd_ctx->data[sgsdd_ctx->offsets.weight1]; const CeedScalar *weight2 = &sgsdd_ctx->data[sgsdd_ctx->offsets.weight2]; CeedScalar V[20] = {0.}; CopyN(bias1, V, num_neurons); MatVecNM(weight1, inputs, num_neurons, num_inputs, CEED_NOTRANSPOSE, V); LeakyReLU(V, alpha, num_neurons); CopyN(bias2, outputs, num_outputs); MatVecNM(weight2, V, num_outputs, num_neurons, CEED_NOTRANSPOSE, outputs); } CEED_QFUNCTION_HELPER void ComputeSGS_DDAnisotropic(const CeedScalar grad_velo_aniso[3][3], const CeedScalar km_A_ij[6], const CeedScalar delta, const CeedScalar viscosity, CeedScalar kmsgs_stress[6], SGS_DDModelContext sgsdd_ctx) { CeedScalar strain_sframe[3] = {0.}, vorticity_sframe[3] = {0.}, eigenvectors[3][3]; CeedScalar A_ij[3][3] = {{0.}}, grad_velo_iso[3][3] = {{0.}}; // -- Unpack anisotropy tensor KMUnpack(km_A_ij, A_ij); // -- Transform physical, anisotropic velocity gradient to isotropic MatMat3(grad_velo_aniso, A_ij, CEED_NOTRANSPOSE, CEED_NOTRANSPOSE, grad_velo_iso); { // -- Get Eigenframe CeedScalar kmstrain_iso[6], strain_iso[3][3]; CeedInt work_vector[3] = {0}; KMStrainRate(grad_velo_iso, kmstrain_iso); KMUnpack(kmstrain_iso, strain_iso); Diagonalize3(strain_iso, strain_sframe, eigenvectors, work_vector, SORT_DECREASING_EVALS, true, 5); } { // -- Get vorticity in S-frame CeedScalar rotation_iso[3][3]; RotationRate(grad_velo_iso, rotation_iso); CeedScalar vorticity_iso[3] = {-2 * rotation_iso[1][2], 2 * rotation_iso[0][2], -2 * rotation_iso[0][1]}; OrientBasisWithVector(eigenvectors, vorticity_iso); MatVec3(eigenvectors, vorticity_iso, CEED_NOTRANSPOSE, vorticity_sframe); } // -- Setup DD model inputs const CeedScalar grad_velo_magnitude = VelocityGradientMagnitude(strain_sframe, vorticity_sframe); CeedScalar inputs[6] = {strain_sframe[0], strain_sframe[1], strain_sframe[2], vorticity_sframe[0], vorticity_sframe[1], viscosity / Square(delta)}; ScaleN(inputs, 1 / (grad_velo_magnitude + CEED_EPSILON), 6); CeedScalar sgs_sframe_sym[6] = {0.}; DataDrivenInference(inputs, sgs_sframe_sym, sgsdd_ctx); CeedScalar old_bounds[6][2] = {{0}}; for (int j = 0; j < 6; j++) old_bounds[j][1] = 1; const CeedScalar(*new_bounds)[2] = (const CeedScalar(*)[2]) & sgsdd_ctx->data[sgsdd_ctx->offsets.out_scaling]; DenormalizeDDOutputs(sgs_sframe_sym, new_bounds, old_bounds); // Re-dimensionalize sgs_stress ScaleN(sgs_sframe_sym, Square(delta) * Square(grad_velo_magnitude), 6); CeedScalar sgs_stress[3][3] = {{0.}}; { // Rotate SGS Stress back to physical frame, SGS_physical = E^T SGS_sframe E CeedScalar Evec_sgs[3][3] = {{0.}}; const CeedScalar sgs_sframe[3][3] = { {sgs_sframe_sym[0], sgs_sframe_sym[3], sgs_sframe_sym[4]}, {sgs_sframe_sym[3], sgs_sframe_sym[1], sgs_sframe_sym[5]}, {sgs_sframe_sym[4], sgs_sframe_sym[5], sgs_sframe_sym[2]}, }; MatMat3(eigenvectors, sgs_sframe, CEED_TRANSPOSE, CEED_NOTRANSPOSE, Evec_sgs); MatMat3(Evec_sgs, eigenvectors, CEED_NOTRANSPOSE, CEED_NOTRANSPOSE, sgs_stress); } KMPack(sgs_stress, kmsgs_stress); } // @brief Calculate subgrid stress at nodes using anisotropic data-driven model CEED_QFUNCTION_HELPER int ComputeSGS_DDAnisotropicNodal(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out, StateFromQi_t StateFromQi) { const CeedScalar(*q)[CEED_Q_VLA] = (const CeedScalar(*)[CEED_Q_VLA])in[0]; const CeedScalar(*x)[CEED_Q_VLA] = (const CeedScalar(*)[CEED_Q_VLA])in[1]; const CeedScalar(*grad_velo)[3][CEED_Q_VLA] = (const CeedScalar(*)[3][CEED_Q_VLA])in[2]; const CeedScalar(*A_ij_delta)[CEED_Q_VLA] = (const CeedScalar(*)[CEED_Q_VLA])in[3]; const CeedScalar(*inv_multiplicity) = (const CeedScalar(*))in[4]; CeedScalar(*v)[CEED_Q_VLA] = (CeedScalar(*)[CEED_Q_VLA])out[0]; const SGS_DDModelContext sgsdd_ctx = (SGS_DDModelContext)ctx; const NewtonianIdealGasContext gas = &sgsdd_ctx->gas; CeedPragmaSIMD for (CeedInt i = 0; i < Q; i++) { const CeedScalar qi[5] = {q[0][i], q[1][i], q[2][i], q[3][i], q[4][i]}; const CeedScalar x_i[3] = {x[0][i], x[1][i], x[2][i]}; const CeedScalar grad_velo_aniso[3][3] = { {grad_velo[0][0][i], grad_velo[0][1][i], grad_velo[0][2][i]}, {grad_velo[1][0][i], grad_velo[1][1][i], grad_velo[1][2][i]}, {grad_velo[2][0][i], grad_velo[2][1][i], grad_velo[2][2][i]} }; const CeedScalar km_A_ij[6] = {A_ij_delta[0][i], A_ij_delta[1][i], A_ij_delta[2][i], A_ij_delta[3][i], A_ij_delta[4][i], A_ij_delta[5][i]}; const CeedScalar delta = A_ij_delta[6][i]; const State s = StateFromQi(gas, qi, x_i); CeedScalar km_sgs[6]; ComputeSGS_DDAnisotropic(grad_velo_aniso, km_A_ij, delta, gas->mu / s.U.density, km_sgs, sgsdd_ctx); for (int j = 0; j < 6; j++) v[j][i] = inv_multiplicity[i] * km_sgs[j]; } return 0; } CEED_QFUNCTION(ComputeSGS_DDAnisotropicNodal_Prim)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) { return ComputeSGS_DDAnisotropicNodal(ctx, Q, in, out, StateFromY); } CEED_QFUNCTION(ComputeSGS_DDAnisotropicNodal_Conserv)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) { return ComputeSGS_DDAnisotropicNodal(ctx, Q, in, out, StateFromU); } #endif // sgs_dd_model_h