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added ImNorm to sort

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This commit is contained in:
Patrick Oare
2025-10-20 19:01:53 +00:00
parent 82f35001ff
commit 4042ebf1bf
1 changed files with 56 additions and 19 deletions
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75
Grid/algorithms/iterative/KrylovSchur.h
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@@ -41,17 +41,21 @@ enum RitzFilter {
EvalReSmall, // Keep evals with smallest real part
EvalReLarge, // Keep evals with largest real part
EvalImSmall, // Keep evals with smallest imaginary part
EvalImLarge // Keep evals with largest imaginary part
EvalImLarge, // Keep evals with largest imaginary part
EvalImNormSmall, // Keep evals with smallest |imaginary| part
EvalImNormLarge, // Keep evals with largest |imaginary| part
};
/** Selects the RitzFilter corresponding to the input string. */
inline RitzFilter selectRitzFilter(std::string s) {
if (s == "EvalNormSmall") { return EvalNormSmall; } else
if (s == "EvalNormLarge") { return EvalNormLarge; } else
if (s == "EvalReSmall") { return EvalReSmall; } else
if (s == "EvalReLarge") { return EvalReLarge; } else
if (s == "EvalImSmall") { return EvalImSmall; } else
if (s == "EvalImLarge") { return EvalImLarge; } else
if (s == "EvalNormSmall") { return EvalNormSmall; } else
if (s == "EvalNormLarge") { return EvalNormLarge; } else
if (s == "EvalReSmall") { return EvalReSmall; } else
if (s == "EvalReLarge") { return EvalReLarge; } else
if (s == "EvalImSmall") { return EvalImSmall; } else
if (s == "EvalImLarge") { return EvalImLarge; } else
if (s == "EvalImNormSmall") { return EvalImNormSmall; } else
if (s == "EvalImNormLarge") { return EvalImNormLarge; } else
{ assert(0); }
}
@@ -70,6 +74,10 @@ inline std::string rfToString(RitzFilter RF) {
return "EvalImSmall";
case EvalImLarge:
return "EvalImLarge";
case EvalImNormSmall:
return "EvalImNormSmall";
case EvalImNormLarge:
return "EvalImNormLarge";
default:
assert(0);
}
@@ -86,14 +94,6 @@ struct ComplexComparator
return std::abs(z1) < std::abs(z2);
case EvalNormLarge:
return std::abs(z1) > std::abs(z2);
// case EvalReSmall:
// return std::abs(std::real(z1)) < std::abs(std::real(z2)); // DELETE THE ABS HERE!!!
// case EvalReLarge:
// return std::abs(std::real(z1)) > std::abs(std::real(z2));
// case EvalImSmall:
// return std::abs(std::imag(z1)) < std::abs(std::imag(z2));
// case EvalImLarge:
// return std::abs(std::imag(z1)) > std::abs(std::imag(z2));
case EvalReSmall:
return std::real(z1) < std::real(z2); // DELETE THE ABS HERE!!!
case EvalReLarge:
@@ -102,6 +102,10 @@ struct ComplexComparator
return std::imag(z1) < std::imag(z2);
case EvalImLarge:
return std::imag(z1) > std::imag(z2);
case EvalImNormSmall:
return std::abs(std::imag(z1)) < std::abs(std::imag(z2));
case EvalImNormLarge:
return std::abs(std::imag(z1)) > std::abs(std::imag(z2));
default:
assert(0);
}
@@ -325,6 +329,9 @@ class KrylovSchur {
b = Eigen::VectorXcd::Zero(Nm); // start as e_{k+1}
b(Nm-1) = 1.0;
// basis = new std::vector<Field> (Nm, Grid);
// evecs.reserve();
int start = 0;
Field startVec = v0;
littleEvecs = Eigen::MatrixXcd::Zero(Nm, Nm);
@@ -360,6 +367,10 @@ class KrylovSchur {
// basisRotate(evecs, Q, 0, Nm, 0, Nm, Nm);
std::vector<Field> basis2;
// basis2.reserve(Nm);
// for (int i = start; i < Nm; i++) {
// basis2.emplace_back(Grid);
// }
constructUR(basis2, basis, Qt, Nm);
basis = basis2;
@@ -431,14 +442,25 @@ class KrylovSchur {
ComplexD coeff;
Field w (Grid); // A acting on last Krylov vector.
// basis.reserve(Nm);
// for (int i = start; i < Nm; i++) {
// basis.emplace_back(Grid);
// }
// basis.assign(Nm, Field(Grid));
// basis.resize(Nm);
// for (int i = start; i < Nm; i++) {
// basis[i] = Field(Grid);
// }
if (start == 0) { // initialize everything that we need.
RealD v0Norm = 1 / std::sqrt(ssq);
basis.push_back(v0Norm * v0); // normalized source
// basis[0] = v0Norm * v0; // normalized source
Rayleigh = Eigen::MatrixXcd::Zero(Nm, Nm);
u = Zero();
} else {
assert( start == basis.size() ); // should be starting at the end of basis (start = Nk)
// assert( start == basis.size() ); // should be starting at the end of basis (start = Nk)
std::cout << GridLogMessage << "Resetting Rayleigh and b" << std::endl;
Eigen::MatrixXcd RayleighCp = Rayleigh;
Rayleigh = Eigen::MatrixXcd::Zero(Nm, Nm);
@@ -447,12 +469,14 @@ class KrylovSchur {
// append b^\dag to Rayleigh, add u to basis
Rayleigh(Nk, Eigen::seqN(0, Nk)) = b.adjoint();
basis.push_back(u);
// basis[start] = u; // TODO make sure this is correct
b = Eigen::VectorXcd::Zero(Nm);
}
// Construct next Arnoldi vector by normalizing w_i = Dv_i - \sum_j v_j h_{ji}
for (int i = start; i < Nm; i++) {
Linop.Op(basis.back(), w);
// Linop.Op(basis[i], w);
for (int j = 0; j < basis.size(); j++) {
coeff = innerProduct(basis[j], w); // coeff = h_{ij}. Note that since {vi} is ONB it's OK to subtract it off after.
Rayleigh(j, i) = coeff;
@@ -475,6 +499,7 @@ class KrylovSchur {
basis.push_back(
(1.0/coeff) * w
);
// basis[i+1] = (1.0/coeff) * w;
}
// after iterations, update u and beta_k = ||u|| before norm
@@ -506,8 +531,11 @@ class KrylovSchur {
{
std::cout << GridLogMessage << "Computing eigenvalues." << std::endl;
evecs.clear();
evals = S.diagonal();
int n = evals.size(); // should be regular Nm
evecs.clear();
// evecs.assign(n, Field(Grid));
// TODO: is there a faster way to get the eigenvectors of a triangular matrix?
// Rayleigh.triangularView<Eigen::Upper> tri;
@@ -520,7 +548,7 @@ class KrylovSchur {
std::cout << GridLogDebug << "Little evecs: " << littleEvecs << std::endl;
// Convert evecs to lattice fields
for (int k = 0; k < evals.size(); k++) {
for (int k = 0; k < n; k++) {
Eigen::VectorXcd vec = littleEvecs.col(k);
Field tmp (basis[0].Grid());
tmp = Zero();
@@ -528,6 +556,7 @@ class KrylovSchur {
tmp = tmp + vec[j] * basis[j];
}
evecs.push_back(tmp);
// evecs[k] = tmp;
}
}
@@ -583,13 +612,16 @@ class KrylovSchur {
*/
int converged() {
int Nconv = 0;
int _Nm = evecs.size();
std::cout << GridLogDebug << "b: " << b << std::endl;
Field tmp (Grid); Field fullEvec (Grid);
ritzEstimates.clear();
for (int k = 0; k < evecs.size(); k++) {
// ritzEstimates.resize(_Nm);
for (int k = 0; k < _Nm; k++) {
Eigen::VectorXcd evec_k = littleEvecs.col(k);
RealD ritzEstimate = std::abs(b.dot(evec_k)); // b^\dagger s
ritzEstimates.push_back(ritzEstimate);
// ritzEstimates[k] = ritzEstimate;
std::cout << GridLogMessage << "Ritz estimate for evec " << k << " = " << ritzEstimate << std::endl;
if (ritzEstimate < rtol) {
Nconv++;
@@ -704,7 +736,9 @@ class KrylovSchur {
*/
void constructUR(std::vector<Field>& UR, std::vector<Field> &U, Eigen::MatrixXcd& R, int N) {
Field tmp (Grid);
UR.clear();
// UR.resize(N);
std::cout << GridLogDebug << "R to rotate by (should be Rayleigh): " << R << std::endl;
@@ -717,6 +751,7 @@ class KrylovSchur {
}
std::cout << GridLogDebug << "rotated norm at i = " << i << " is: " << norm2(tmp) << std::endl;
UR.push_back(tmp);
// UR[i] = tmp;
}
return;
}
@@ -727,12 +762,14 @@ class KrylovSchur {
void constructRU(std::vector<Field>& RU, std::vector<Field> &U, Eigen::MatrixXcd& R, int N) {
Field tmp (Grid);
RU.clear();
// RU.resize(N);
for (int i = 0; i < N; i++) {
tmp = Zero();
for (int j = 0; j < N; j++) {
tmp = tmp + R(i, j) * U[j];
}
RU.push_back(tmp);
// RU[i] = tmp;
}
return;
}