File: fit.cpp

package info (click to toggle)
dmrgpp 6.06-2
  • links: PTS, VCS
  • area: main
  • in suites: sid, trixie
  • size: 113,900 kB
  • sloc: cpp: 80,986; perl: 14,772; ansic: 2,923; makefile: 83; sh: 17
file content (304 lines) | stat: -rw-r--r-- 6,958 bytes parent folder | download
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
#include "Minimizer.h"
#include "PsimagLite.h"
#include "Vector.h"
#include <cassert>
#include <cstdlib>
#include <fstream>

template <typename RealType_>
class OracleData
{

public:

	typedef RealType_ RealType;
	typedef typename PsimagLite::Vector<RealType>::Type VectorRealType;

	OracleData(PsimagLite::String file, RealType kf)
	    : file_(file)
	{
		// kx omega real imag
		std::ifstream fin(file_.c_str());

		while (!fin.eof()) {
			RealType tmp = 0.0;
			fin >> tmp;
			RealType kx = tmp;
			fin >> tmp;
			RealType omega = tmp;
			fin >> tmp;
			fin >> tmp;
			RealType value = tmp;
			if (fabs(kx - kf) >= 1e-6)
				continue;
			omegas_.push_back(omega);
			values_.push_back(value);
		}

		std::cerr << "#Found " << omegas_.size() << " omega values for kf=" << kf
			  << "\n";
		if (omegas_.size() == 0)
			err("No data found in " + file + "\n");
	}

	const RealType& operator()(SizeType i) const
	{
		assert(i < values_.size());
		return values_[i];
	}

	const VectorRealType& omegas() const { return omegas_; }

private:

	PsimagLite::String file_;
	VectorRealType omegas_;
	VectorRealType values_;
};

template <typename RealType>
class FitData
{

	typedef typename PsimagLite::Vector<RealType>::Type VectorRealType;

public:

	FitData(const VectorRealType& omegas, RealType mu, RealType kf, int ky)
	    : omegas_(omegas)
	    , mu_(mu)
	    , ekf_(dispersion(kf, ky * M_PI) - mu)
	    , initDelta_(1)
	    , initGamma_(0.1)
	    , anorm_(1.0)
	{
		// anorm_ = 1.0/sum();
		std::cerr << "#FitData ctor(): ekf_= " << ekf_;
		std::cerr << " initDelta_= " << initDelta_ << " initGamma_= " << initGamma_;
		std::cerr << " mu= " << mu << "\n";
		std::cout << "anorm=" << anorm_ << "\n";
	}

	RealType operator()(SizeType i, const VectorRealType& v) const
	{
		assert(v.size() == 2);
		const RealType& omega = omegas_[i];
		const RealType& delta = v[0];
		const RealType& gamma = v[1];
		return finternal(omega, delta, gamma);
	}

	RealType df(SizeType i, const VectorRealType& v, SizeType j) const
	{
		assert(v.size() == 2);
		const RealType& omega = omegas_[i];
		const RealType& delta = v[0];
		const RealType& gamma = v[1];
		return (j == 0) ? dfDelta(omega, delta, gamma)
				: dfGamma(omega, delta, gamma);
	}

	SizeType size() const { return 2; }

	static void init(VectorRealType& x)
	{
		assert(x.size() == 2);
		x[0] = 1;
		x[1] = 0.1;
	}

private:

	RealType finternal(RealType omega, RealType delta, RealType gamma) const
	{
		RealType gaom = gamma * omega;
		RealType num = (omega + ekf_) * gaom * 2.0 * anorm_ / M_PI;
		RealType omega2 = omega * omega;
		RealType phi2 = ekf_ * ekf_ + gamma * gamma + delta * delta;
		RealType den = square(omega2 - phi2) + 4 * gaom * gaom;
		return num / den;
	}

	RealType dfDelta(RealType omega, RealType delta, RealType gamma) const
	{
		RealType gaom = gamma * omega;
		RealType num = (omega + ekf_) * gaom * 2.0 * anorm_ / M_PI;
		RealType omega2 = omega * omega;
		RealType phi2 = ekf_ * ekf_ + gamma * gamma + delta * delta;
		RealType den = square(omega2 - phi2) + 4 * gaom * gaom;
		RealType numd = 4.0 * delta * (phi2 - omega2);
		return -num * numd / square(den);
	}

	RealType dfGamma(RealType omega, RealType delta, RealType gamma) const
	{
		RealType gaom = gamma * omega;
		RealType num0 = (omega + ekf_) * omega * 2.0 * anorm_ / M_PI;
		RealType omega2 = omega * omega;
		RealType phi2 = ekf_ * ekf_ + gamma * gamma + delta * delta;
		RealType den = square(omega2 - phi2) + 4.0 * gaom * gaom;
		RealType num = -num0 * gamma * (4 * (phi2 - omega2) * gamma + 8 * gamma * omega2);
		return num0 / den - num / square(den);
	}

	RealType dispersion(RealType kx, RealType ky) const
	{
		return -2 * cos(kx) - cos(ky);
	}

	RealType sum() const
	{
		SizeType n = omegas_.size();
		RealType sum = 0;
		for (SizeType i = 0; i < n; ++i)
			sum += finternal(omegas_[i], initDelta_, initGamma_);
		return sum;
	}

	static RealType square(RealType x) { return x * x; }

	VectorRealType omegas_;
	RealType mu_;
	RealType ekf_;
	const RealType initDelta_;
	const RealType initGamma_;
	RealType anorm_;
};

template <typename OracleType, typename FitDataType>
class Fitter
{

	typedef typename OracleType::RealType RealType;
	typedef typename OracleType::VectorRealType VectorRealType;

	class MyFunctionTest
	{

	public:

		typedef RealType FieldType;

		MyFunctionTest(const OracleType& od, const FitDataType& fd)
		    : od_(od)
		    , fd_(fd)
		{
		}

		RealType operator()(const VectorRealType& v) const
		{
			RealType sum = 0.0;
			SizeType n = od_.omegas().size();
			for (SizeType i = 0; i < n; ++i) {
				RealType x = fabs(od_(i) - fd_(i, v));
				sum += x * x;
			}

			return sum;
		}

		void df(VectorRealType& result, const VectorRealType& v) const
		{
			assert(result.size() == size());
			for (SizeType j = 0; j < size(); ++j) {
				RealType sum = 0.0;
				SizeType n = od_.omegas().size();
				for (SizeType i = 0; i < n; ++i) {
					// FIXME CHECK SIGN OF DERIVATIVE HERE
					RealType x = (fd_(i, v) - od_(i)) * fd_.df(i, v, j);
					sum += x;
				}

				result[j] = sum * 2.0;
			}
		}

		SizeType size() const { return 2; }

	private:

		const OracleType& od_;
		const FitDataType& fd_;
	};

public:

	Fitter(const OracleType& od, const FitDataType& fd)
	    : od_(od)
	    , fd_(fd)
	    , results_(fd.size(), 0)
	{
	}

	void fit(SizeType maxIter)
	{
		FitDataType::init(results_);

		MyFunctionTest f(od_, fd_);
		PsimagLite::Minimizer<RealType, MyFunctionTest> min(f, maxIter);

		int iter = min.simplex(results_, 1e-5, 1e-7);
		if (iter < 0)
			std::cerr << "No minimum found\n";
		std::cerr << "#Converged after " << iter << " iterations.\n";
		std::cerr << "#Minimum is " << f(results_) << "\n";
		std::ofstream of("test.out");
		printComparison(of);
	}

	void fit2(SizeType maxIter)
	{
		FitDataType::init(results_);

		MyFunctionTest f(od_, fd_);
		PsimagLite::Minimizer<RealType, MyFunctionTest> min(f, maxIter);

		int iter = min.conjugateGradient(results_, 1e-3, 1e-3, 1e-3);
		if (iter < 0)
			std::cerr << "No minimum found\n";
	}

	void print(std::ostream& os) const
	{
		if (results_.size() != 2)
			err("print results not size 2\n");

		os << "delta=" << results_[0] << "\n";
		os << "gamma=" << results_[1] << "\n";
	}

private:

	void printComparison(std::ostream& os) const
	{
		SizeType n = od_.omegas().size();
		for (SizeType i = 0; i < n; ++i)
			os << od_.omegas()[i] << " " << od_(i) << " " << fd_(i, results_) << "\n";
	}

	const OracleType& od_;
	const FitDataType& fd_;
	VectorRealType results_;
};

int main(int argc, char** argv)
{
	if (argc != 5) {
		std::cerr << "USAGE: " << argv[0] << " filename.gnuplot mu kf ky\n";
		return 1;
	}

	double mu = atof(argv[2]);
	double kf = atof(argv[3]);
	int ky = atoi(argv[4]);
	OracleData<double> od(argv[1], kf);

	FitData<double> fit(od.omegas(), mu, kf, ky);

	Fitter<OracleData<double>, FitData<double>> fitter(od, fit);

	SizeType maxIter = 1000;
	fitter.fit(maxIter);

	fitter.print(std::cout);
}