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CKNKernelMatrix.h
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691 lines (619 loc) · 22.6 KB
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#include <cassert>
#include <cmath>
// #include <glog/logging.h>
#include <chrono>
#include <iostream>
#include <sstream>
#include <vector>
#include <Eigen/Core>
#include <unsupported/Eigen/CXX11/Tensor>
#define FOR2DTO(ii, jj, hh, ww) \
for (int ii = 0; ii < hh; ++ii) \
for (int jj = 0; jj < ww; ++jj) \
#define INIT_TIME \
static thread_local sclock::time_point start; \
static thread_local std::chrono::duration<double> elapsed;
#define TIC \
if (verbose) { \
start = sclock::now(); \
}
#define TOC(label, ...) \
if (verbose) { \
elapsed = sclock::now() - start; \
std::cerr << label ": " << elapsed.count() << " " __VA_ARGS__; \
}
using sclock = std::chrono::system_clock;
namespace {
static const double PI = 3.141592653589793238463;
}
enum PoolType {
GAUSSIAN = 0,
STRIDED,
AVERAGE
};
enum KernelType {
EXP = 0,
RELU,
LINEAR,
POLY2,
POLY3,
POLY4,
SQUARE // non-homogeneous square
};
struct LayerParams {
size_t patchSize;
size_t subsampling;
size_t poolFactor;
KernelType kernelType;
double kernelParam; // sigma for EXP kernel
bool zeroPad;
PoolType poolType;
};
template <typename Double>
class CKNKernelMatrixEigen {
public:
CKNKernelMatrixEigen(const std::vector<LayerParams>& layers,
const size_t h,
const size_t w,
const size_t c,
const bool verbose = false)
: layers_(layers), h_(h), w_(w), c_(c), verbose_(verbose) {
// CHECK(h == w) << "only square images are supported for now";
assert(h == w);
layerDims_.resize(layers.size());
layerDims_[0].hi = h;
layerDims_[0].wi = w;
poolFilter_.resize(layers.size());
for (size_t l = 0; l < layers.size(); ++l) {
auto& dims = layerDims_[l];
if (l > 0) {
dims.hi = layerDims_[l-1].hpool;
dims.wi = layerDims_[l-1].wpool;
}
const size_t patch = layers_[l].patchSize;
if (layers_[l].zeroPad) {
dims.hconv = dims.hi;
dims.wconv = dims.wi;
} else {
assert(false); // only zeroPad is implemented (TODO)
// CHECK_GE(dims.hi, patch);
assert(dims.hi >= patch);
dims.hconv = dims.hi - patch + 1;
dims.wconv = dims.wi - patch + 1;
}
const size_t sub = layers_[l].subsampling;
const size_t poolFactor = layers_[l].poolFactor;
if (layers_[l].poolType == GAUSSIAN) {
dims.poolSize = 2 * poolFactor + 1;
poolFilter_[l] = makeFilter(dims.poolSize, layers_[l].poolType);
// sample at sub * i, with i = 1..hpool
// CHECK_GE(dims.hconv, sub) << "too large subsampling";
assert(dims.hconv >= sub);
dims.hpool = dims.hconv / sub - 1;
dims.wpool = dims.wconv / sub - 1;
} else if (layers_[l].poolType == AVERAGE) {
dims.poolSize = poolFactor;
poolFilter_[l] = makeFilter(dims.poolSize, layers_[l].poolType);
dims.hpool = dims.hconv / sub;
dims.wpool = dims.wconv / sub;
} else if (layers_[l].poolType == STRIDED) {
dims.poolSize = poolFactor;
dims.hpool = dims.hconv / sub - 1;
dims.wpool = dims.wconv / sub - 1;
} else {
assert(false);
}
if (verbose_) {
// LOG(INFO) << "layer " << l << "(" << patch << "," << sub
std::clog << "layer " << l << "(" << patch << "," << sub
<< "): " << dims.hi << "x" << dims.wi << " -> " << dims.hconv
<< "x" << dims.wconv << " -> " << dims.hpool << "x"
<< dims.wpool << " \n";
}
}
}
size_t nlayers() const {
return layers_.size();
}
void computeNorms(const Double* im,
Double* norms,
Double* normsInv,
const bool verbose = false) {
const Eigen::Map<const Matrix> x(im, h_ * w_, c_);
INIT_TIME;
TIC;
Matrix xx = x * x.transpose();
TOC("init pool");
Tensor pooled;
for (size_t l = 0; l < nlayers(); ++l) {
TIC;
Tensor patch = toPatches((l == 0 ? xx.data() : pooled.data()), l);
TOC("patch");
TIC;
const size_t h = layerDims_[l].hconv;
const size_t w = layerDims_[l].wconv;
Eigen::Map<Matrix> patchMap(patch.data(), h * w, h * w);
Eigen::Map<Array> normMap(norms, h * w);
Eigen::Map<Array> normInvMap(normsInv, h * w);
normMap = patchMap.diagonal().array().sqrt();
normInvMap = normMap.array().max(1e-6).inverse();
TOC("norm");
if (l == nlayers() - 1) {
break; // rest not needed for final layer
}
TIC;
Array2d cosine = cosines(patch.data(), normsInv, normsInv, l);
TOC("cosine");
TIC;
Array2d mapped = kappa1(cosine.data(), norms, norms, l);
TOC("kappa1");
TIC;
pooled = pool(mapped.data(), l);
TOC("pool");
// move to next layer norms
norms += h_ * w_;
normsInv += h_ * w_;
}
if (verbose) {
std::cerr << std::endl;
}
}
Double computeKernel(const Double* im1,
const Double* im2,
const Double* norms1,
const Double* norms2,
const Double* normsInv1,
const Double* normsInv2,
const bool useNtk = false,
const bool verbose = false) {
const Eigen::Map<const Matrix> x(im1, h_ * w_, c_);
const Eigen::Map<const Matrix> y(im2, h_ * w_, c_);
INIT_TIME;
TIC;
Matrix xy = x * y.transpose();
TOC("init pool");
Tensor pooled, pooledNtk;
for (size_t l = 0; l < nlayers(); ++l) {
TIC;
Tensor patch = toPatches((l == 0 ? xy.data() : pooled.data()), l);
TOC("patch");
Tensor patchNtk;
if (useNtk && l >= 1) {
TIC;
patchNtk = toPatches(pooledNtk.data(), l);
TOC("patchNTK");
}
TIC;
Array2d cosine = cosines(patch.data(), normsInv1, normsInv2, l);
TOC("cosine");
TIC;
Array2d mapped = kappa1(cosine.data(), norms1, norms2, l);
TOC("kappa1");
Array2d mappedNtk;
if (useNtk) {
TIC;
mappedNtk = ukappa0(cosine.data(), (l == 0) ? patch.data() : patchNtk.data(), l);
mappedNtk += mapped;
TOC("ukappa0");
}
TIC;
pooled = pool(mapped.data(), l);
TOC("pool");
if (useNtk) {
TIC;
pooledNtk = pool(mappedNtk.data(), l);
TOC("poolNTK");
}
// move to next layer norms
norms1 += h_ * w_;
norms2 += h_ * w_;
normsInv1 += h_ * w_;
normsInv2 += h_ * w_;
}
if (verbose) {
std::cerr << std::endl;
}
const size_t h = layerDims_[nlayers() - 1].hpool;
const size_t w = layerDims_[nlayers() - 1].wpool;
if (useNtk) { // cache result for non-NTK kernel when computing NTK
Eigen::Map<const Matrix> pooledMap(pooled.data(), h * w, h * w);
cachedRF_ = pooledMap.trace();
}
Eigen::Map<const Matrix> pooledMap(
useNtk ? pooledNtk.data() : pooled.data(), h * w, h * w);
return pooledMap.trace();
}
Double cachedRFKernel() const {
return cachedRF_;
}
private:
using Matrix =
Eigen::Matrix<Double, Eigen::Dynamic, Eigen::Dynamic, Eigen::RowMajor>;
using Array2d =
Eigen::Array<Double, Eigen::Dynamic, Eigen::Dynamic, Eigen::RowMajor>;
using Vector =
Eigen::Matrix<Double, Eigen::Dynamic, 1>;
using Array =
Eigen::Array<Double, Eigen::Dynamic, 1>;
using Tensor =
Eigen::Tensor<Double, 4, Eigen::RowMajor>;
// kernel after patch extraction
Tensor toPatches(Double* data, const int32_t l) const {
const int sz = layers_[l].patchSize;
const size_t hi = layerDims_[l].hi;
const size_t wi = layerDims_[l].wi;
const size_t h = layerDims_[l].hconv;
const size_t w = layerDims_[l].wconv;
const Eigen::TensorMap<const Tensor> pooled(data, hi, wi, hi, wi);
if (sz == 1) {
Tensor out = pooled;
return out;
}
const int start = -(sz - 1) / 2;
Tensor patch1 = pooled;
for (int r = start; r < start + sz; ++r) {
if (r == 0) { // done at init
continue;
}
const int rplus = std::max(0, r);
const int rminus = -std::min(0, r);
const int hlen = h - rminus - rplus;
for (int i1 = rplus; i1 < h - rminus; ++i1) {
for (int j1 = 0; j1 < w; ++j1) {
Eigen::Map<Array> out(&patch1(i1, j1, rplus, 0), hlen * w);
Eigen::Map<const Array> block(
&pooled(i1 - r, j1, rminus, 0), hlen * w);
out += block;
}
}
}
Tensor patch = patch1;
for (int r = start; r < start + sz; ++r) {
if (r == 0) { // done at init
continue;
}
const int rplus = std::max(0, r);
const int rminus = std::max(0, -r);
const int wlen = w - rminus - rplus;
for (int i1 = 0; i1 < h; ++i1) {
for (int j1 = rplus; j1 < h - rminus; ++j1) {
for (int i2 = 0; i2 < h; ++i2) {
Eigen::Map<Array> out(&patch(i1, j1, i2, rplus), wlen);
Eigen::Map<const Array> block(
&patch1(i1, j1 - r, i2, rminus), wlen);
out += block;
}
}
}
}
return patch;
}
Array2d cosines(const Double* const data,
const Double* const normsInvL,
const Double* const normsInvR,
const int32_t l) const {
const size_t h = layerDims_[l].hconv;
const size_t w = layerDims_[l].wconv;
Eigen::Map<const Array> normInvLMap(normsInvL, h * w);
Eigen::Map<const Array> normInvRMap(normsInvR, h * w);
Eigen::Map<const Array2d> patchMap(data, h * w, h * w);
Array2d cosine = patchMap.colwise() * normInvLMap;
cosine.rowwise() *= normInvRMap.transpose();
return cosine;
}
Array2d kappa1(const Double* const cosines,
const Double* const normsL,
const Double* const normsR,
const int32_t l) const {
const size_t h = layerDims_[l].hconv;
const size_t w = layerDims_[l].wconv;
Eigen::Map<const Array> normLMap(normsL, h * w);
Eigen::Map<const Array> normRMap(normsR, h * w);
Eigen::Map<const Array2d> cosMap(cosines, h * w, h * w);
if (layers_[l].kernelType == EXP) {
const Double sigma = static_cast<Double>(layers_[l].kernelParam);
const Double alpha = 1. / (sigma * sigma);
Array2d out = alpha * (cosMap - 1.);
out = out.exp();
out.colwise() *= normLMap;
out.rowwise() *= normRMap.transpose();
return out;
} else if (layers_[l].kernelType == RELU) {
Array2d cos = cosMap.min(1.0);
// Array2d out = cos * (PI - cos.acos()) + (1. - cos.square()).sqrt();
Array2d theta = cos.acos();
Array2d out = cos.square();
out = 1. - out;
out = out.sqrt();
out += cos * (static_cast<Double>(PI) - theta);
out /= PI;
out.colwise() *= normLMap;
out.rowwise() *= normRMap.transpose();
return out;
} else if (layers_[l].kernelType == LINEAR) {
const Double factor = static_cast<Double>(layers_[l].kernelParam);
Array2d out = factor * cosMap;
out.colwise() *= normLMap;
out.rowwise() *= normRMap.transpose();
return out;
} else if (layers_[l].kernelType == POLY2) {
const Double factor = static_cast<Double>(layers_[l].kernelParam);
Array2d out = cosMap.square();
out.colwise() *= normLMap;
out.rowwise() *= normRMap.transpose();
return out;
} else if (layers_[l].kernelType == POLY3) {
const Double factor = static_cast<Double>(layers_[l].kernelParam);
Array2d out = cosMap * cosMap.square();
out.colwise() *= normLMap;
out.rowwise() *= normRMap.transpose();
return out;
} else if (layers_[l].kernelType == POLY4) {
const Double factor = static_cast<Double>(layers_[l].kernelParam);
Array2d out = cosMap.square().square();
out.colwise() *= normLMap;
out.rowwise() *= normRMap.transpose();
return out;
} else if (layers_[l].kernelType == SQUARE) { // non-homogeneous square
const Double factor = static_cast<Double>(layers_[l].kernelParam);
Array2d out = cosMap;
out.colwise() *= normLMap;
out.rowwise() *= normRMap.transpose();
out = out.square();
return out;
} else {
// LOG(ERROR) << "undefined kernel type";
std::cerr << "undefined kernel type";
return Array2d::Zero(1, 1);
}
}
Array2d ukappa0(const Double* const cosines,
const Double* const patches,
const int32_t l) const {
const size_t h = layerDims_[l].hconv;
const size_t w = layerDims_[l].wconv;
Eigen::Map<const Array2d> cosMap(cosines, h * w, h * w);
Eigen::Map<const Array2d> patchMap(patches, h * w, h * w);
if (layers_[l].kernelType == RELU) {
// Array out = patch * (PI - cos.acos());
Array2d cos = cosMap.min(1.0);
Array2d out = cos.acos();
out = patchMap * (static_cast<Double>(PI) - out);
out /= PI;
return out;
} else {
// LOG(ERROR) << "undefined kernel type";
std::cerr << "undefined kernel type for NTK";
return Array2d::Zero(1, 1);
}
}
Tensor pool(Double* data, const int32_t l) const {
const size_t h = layerDims_[l].hpool;
const size_t w = layerDims_[l].wpool;
const size_t hprev = layerDims_[l].hconv;
const size_t wprev = layerDims_[l].wconv;
const int sub = layers_[l].subsampling;
const size_t sz = layerDims_[l].poolSize;
Eigen::TensorMap<const Tensor> mapped(data, hprev, wprev, hprev, wprev);
if (layers_[l].poolType == STRIDED) {
Tensor out(h, w, h, w);
FOR2DTO(i1, j1, h, w) {
FOR2DTO(i2, j2, h, w) {
out(i1, j1, i2, j2) = mapped(
sub * (i1 + 1), sub * (j1 + 1), sub * (i2 + 1), sub * (j2 + 1));
}
}
return out;
}
const auto& filt = poolFilter_[l];
Eigen::Map<const Vector> filtMap(filt.data(), sz);
Tensor pool1(hprev, wprev, hprev, w);
FOR2DTO(i1, j1, hprev, wprev) {
FOR2DTO(i2, j2, hprev, w) {
if (sub * j2 + sz <= wprev) {
Eigen::Map<const Vector> patch(&mapped(i1, j1, i2, sub * j2), sz);
pool1(i1, j1, i2, j2) = filtMap.dot(patch);
} else { // shorter
const int ssz = static_cast<int>(wprev) - sub * j2;
Eigen::Map<const Vector> shortFilt(filt.data(), ssz);
Eigen::Map<const Vector> patch(&mapped(i1, j1, i2, sub * j2), ssz);
pool1(i1, j1, i2, j2) = shortFilt.dot(patch);
}
}
}
Tensor pool2(hprev, wprev, h, w);
FOR2DTO(i1, j1, hprev, wprev) {
for (int i2 = 0; i2 < h; ++i2) {
// pool2[i1,j1,i2,:]
Eigen::Map<Vector> out(&pool2(i1, j1, i2, 0), w);
if (sub * i2 + sz <= hprev) {
// pool1[i1,j1,sub*i2:(sub*i2+sz),:]
Eigen::Map<const Matrix> patch(&pool1(i1, j1, sub * i2, 0), sz, w);
out = patch.transpose() * filtMap;
} else { // shorter
const int ssz = static_cast<int>(hprev) - sub * i2;
Eigen::Map<const Vector> shortFilt(filt.data(), ssz);
// pool1[i1,j1,sub*i2:(sub*i2+ssz),:]
Eigen::Map<const Matrix> patch(&pool1(i1, j1, sub * i2, 0), ssz, w);
out = patch.transpose() * shortFilt;
}
}
}
Tensor pool3(hprev, w, h, w);
FOR2DTO(i1, j1, hprev, w) {
// pool3[i1,j1,:,:]
Eigen::Map<Vector> out(&pool3(i1, j1, 0, 0), h * w);
if (sub * j1 + sz <= wprev) {
// pool2[i1,sub*j1:(sub*j1+sz),:,:]
Eigen::Map<const Matrix> patch(&pool2(i1, sub * j1, 0, 0), sz, h * w);
out = patch.transpose() * filtMap;
} else { // shorter
const int ssz = static_cast<int>(wprev) - sub * j1;
Eigen::Map<const Vector> shortFilt(filt.data(), ssz);
// pool2[i1,sub*j1:(sub*j1+ssz),:,:]
Eigen::Map<const Matrix> patch(&pool2(i1, sub * j1, 0, 0), ssz, h * w);
out = patch.transpose() * shortFilt;
}
}
Tensor poolout(h, w, h, w);
for (int i1 = 0; i1 < h; ++i1) {
// poolout[i1,:,:,:]
Eigen::Map<Vector> out(&poolout(i1, 0, 0, 0), w * h * w);
if (sub * i1 + sz <= hprev) {
// pool3[sub*i1:(sub*i1+sz),:,:,:]
Eigen::Map<const Matrix> patch(
&pool3(sub * i1, 0, 0, 0), sz, w * h * w);
out = patch.transpose() * filtMap;
} else { // shorter
const int ssz = static_cast<int>(hprev) - sub * i1;
Eigen::Map<const Vector> shortFilt(filt.data(), ssz);
// pool3[sub*i1:(sub*i1+ssz),:,:,:]
Eigen::Map<const Matrix> patch(
&pool3(sub * i1, 0, 0, 0), ssz, w * h * w);
out = patch.transpose() * shortFilt;
}
}
return poolout;
}
std::vector<Double> makeFilter(const size_t sz,
const PoolType poolType = GAUSSIAN) const {
if (poolType == GAUSSIAN) {
const int sub = static_cast<int>(sz) / 2;
const Double sigma = static_cast<Double>(sub) / std::sqrt(2.0);
std::vector<Double> filt(sz);
Double sum = 0.0;
for (int i = -sub; i <= sub; ++i) {
auto& f = filt[sub + i];
f = std::exp(-(i * i) / (2 * sigma * sigma));
sum += f;
}
for (int i = -sub; i <= sub; ++i) {
filt[sub + i] /= sum;
}
return filt;
} else if (poolType == AVERAGE) {
std::vector<Double> filt(sz, 1. / sz);
return filt;
}
}
const std::vector<LayerParams> layers_;
const size_t h_;
const size_t w_;
const size_t c_;
const bool verbose_;
Double cachedRF_;
struct LayerDims {
size_t hi;
size_t wi;
size_t hconv;
size_t wconv;
size_t hpool;
size_t wpool;
size_t poolSize;
int interSize;
};
std::vector<LayerDims> layerDims_;
std::vector<std::vector<Double>> poolFilter_;
};
template <typename Double>
Double computeAllKernel(const Double* const im1,
const Double* const im2,
const bool ntk,
const size_t h,
const size_t w,
const size_t c,
const std::vector<size_t>& patchSizes,
const std::vector<size_t>& subs,
const std::vector<size_t>& poolFactors,
const std::vector<int>& kernelTypes,
const std::vector<double>& kernelParams,
const std::vector<int>& pools,
const bool verbose = false) {
std::vector<LayerParams> layers;
const size_t L = patchSizes.size();
for (size_t i = 0; i < L; ++i) {
layers.push_back({patchSizes[i], subs[i], poolFactors[i],
static_cast<KernelType>(kernelTypes[i]), kernelParams[i],
/*zeroPad=*/true, static_cast<PoolType>(pools[i])});
}
std::vector<Double> norms1(L * h * w);
std::vector<Double> norms2(L * h * w);
std::vector<Double> normsInv1(L * h * w);
std::vector<Double> normsInv2(L * h * w);
CKNKernelMatrixEigen<Double> kernel(layers, h, w, c, verbose);
kernel.computeNorms(im1, norms1.data(), normsInv1.data());
kernel.computeNorms(im2, norms2.data(), normsInv2.data());
return kernel.computeKernel(im1, im2, norms1.data(), norms2.data(),
normsInv1.data(), normsInv2.data(), ntk, verbose);
}
template <typename Double>
Double computeKernel(const Double* const im1,
const Double* const im2,
const Double* const norms1,
const Double* const norms2,
const Double* const normsInv1,
const Double* const normsInv2,
const bool ntk,
const size_t h,
const size_t w,
const size_t c,
const std::vector<size_t>& patchSizes,
const std::vector<size_t>& subs,
const std::vector<size_t>& poolFactors,
const std::vector<int>& kernelTypes,
const std::vector<double>& kernelParams,
const std::vector<int>& pools,
const bool verbose = false) {
std::vector<LayerParams> layers;
const size_t L = patchSizes.size();
for (size_t i = 0; i < L; ++i) {
layers.push_back({patchSizes[i], subs[i], poolFactors[i],
static_cast<KernelType>(kernelTypes[i]), kernelParams[i],
/*zeroPad=*/true, static_cast<PoolType>(pools[i])});
}
CKNKernelMatrixEigen<Double> kernel(layers, h, w, c, verbose);
return kernel.computeKernel(im1, im2, norms1, norms2, normsInv1, normsInv2);
}
template <typename Double>
CKNKernelMatrixEigen<Double>* cknNew(const size_t h,
const size_t w,
const size_t c,
const std::vector<size_t>& patchSizes,
const std::vector<size_t>& subs,
const std::vector<size_t>& poolFactors,
const std::vector<int>& kernelTypes,
const std::vector<double>& kernelParams,
const std::vector<int>& pools,
const bool verbose = false) {
std::vector<LayerParams> layers;
const size_t L = patchSizes.size();
for (size_t i = 0; i < L; ++i) {
layers.push_back({patchSizes[i], subs[i], poolFactors[i],
static_cast<KernelType>(kernelTypes[i]), kernelParams[i],
/*zeroPad=*/true, static_cast<PoolType>(pools[i])});
}
return new CKNKernelMatrixEigen<Double>(layers, h, w, c, verbose);
}
template <typename Double>
Double computeNorms(const Double* const im,
Double* norms,
Double* normsInv,
const size_t h,
const size_t w,
const size_t c,
const std::vector<size_t>& patchSizes,
const std::vector<size_t>& subs,
const std::vector<size_t>& poolFactors,
const std::vector<int>& kernelTypes,
const std::vector<double>& kernelParams,
const std::vector<int>& pools,
const bool verbose = false) {
std::vector<LayerParams> layers;
for (size_t i = 0; i < patchSizes.size(); ++i) {
layers.push_back({patchSizes[i], subs[i], poolFactors[i],
static_cast<KernelType>(kernelTypes[i]), kernelParams[i],
/*zeroPad=*/true, static_cast<PoolType>(pools[i])});
}
CKNKernelMatrixEigen<Double> kernel(layers, h, w, c, verbose);
kernel.computeNorms(im, norms, normsInv);
}