// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute // SPDX-License-Identifier: GPL-3.0-only #pragma once #include #include #include #include #include // Limited-memory BFGS whose memory outlives one call, so that a refinement's macro-cycles - each a few dozen // iterations on a target whose scale and likelihood parameters were refitted in between - go on from what the // earlier ones learnt of the curvature instead of starting each from a steepest-descent step. The initial inverse // Hessian is a diagonal the caller gives (SetDiagonal: an estimate of the Hessian's diagonal, so that a parameter // with ten times the curvature of another takes a tenth of its step), scaled each iteration by the latest pair // (Oren-Shanno in that metric). The line search backtracks from the full step to sufficient decrease. // Following Nocedal (1980) Math. Comp. 35, 773-782 and Liu & Nocedal (1989) Math. Program. 45, 503-528 class RefinementMinimiser { public: // f(x, g): the target at x, and its gradient in g (sized as x); false where it cannot be evaluated there. using Target = std::function &x, double &f, std::vector &g)>; explicit RefinementMinimiser(size_t memory = 20) : memory_(memory) {} // Forget the pairs (the target changed beyond what the memory still describes, e.g. another weight). void Reset() { s_.clear(); y_.clear(); sy_.clear(); } // The estimated diagonal of the Hessian; every element > 0. void SetDiagonal(std::vector h) { h_ = std::move(h); } struct Outcome { int iterations = 0; int evaluations = 0; double f_start = 0, f_end = 0; }; // At most `iterations` iterations from x (x is where it ended); stops early where an iteration lowers f by // less than `f_tolerance` relative to |f|, or `stop` says so (checked before every iteration). `max_step`, in // the parameters' units, is the most any parameter moves in the first trial of a line search. Outcome Minimise(const Target &target, std::vector &x, int iterations, double f_tolerance, double max_step, const std::function &stop = nullptr) { const size_t n = x.size(); if (h_.size() != n) h_.assign(n, 1.0); Outcome out; double f = 0; std::vector g(n), d(n), x_new(n), g_new(n); if (!target(x, f, g)) return out; out.evaluations++; out.f_start = out.f_end = f; for (int it = 0; it < iterations; it++) { if (stop && stop()) break; Direction(g, d); double gd = Dot(g, d); if (!(gd < 0)) { // not a descent direction: the memory no longer fits, start again from the diagonal Reset(); Direction(g, d); gd = Dot(g, d); if (!(gd < 0)) break; } double d_max = 0; for (double v : d) d_max = std::max(d_max, std::fabs(v)); double alpha = d_max > max_step ? max_step / d_max : 1.0; double f_new = 0; bool accepted = false; for (int ls = 0; ls < 10; ls++) { for (size_t k = 0; k < n; k++) x_new[k] = x[k] + alpha * d[k]; const bool ok = target(x_new, f_new, g_new); out.evaluations++; if (ok && f_new <= f + 1e-4 * alpha * gd) { accepted = true; break; } // the minimum of the quadratic through f, its slope and f_new, kept within [0.1, 0.5] of the step const double q = ok ? -gd * alpha * alpha / (2.0 * (f_new - f - gd * alpha)) : 0.1 * alpha; alpha = std::clamp(q, 0.1 * alpha, 0.5 * alpha); } if (!accepted) break; std::vector s(n), y(n); for (size_t k = 0; k < n; k++) { s[k] = x_new[k] - x[k]; y[k] = g_new[k] - g[k]; } const double sy = Dot(s, y); if (sy > 1e-10 * std::sqrt(Dot(s, s) * Dot(y, y))) { s_.push_back(std::move(s)); y_.push_back(std::move(y)); sy_.push_back(sy); if (s_.size() > memory_) { s_.pop_front(); y_.pop_front(); sy_.pop_front(); } } const double decrease = f - f_new; x.swap(x_new); g.swap(g_new); f = f_new; out.iterations++; out.f_end = f; if (decrease <= f_tolerance * std::max(std::fabs(f), 1.0)) break; } return out; } private: static double Dot(const std::vector &a, const std::vector &b) { double s = 0; for (size_t k = 0; k < a.size(); k++) s += a[k] * b[k]; return s; } // d = -H g by the two-loop recursion, H0 = gamma diag(1/h). void Direction(const std::vector &g, std::vector &d) const { const size_t n = g.size(), m = s_.size(); std::vector q = g, a(m), rho(m); for (size_t i = m; i-- > 0;) { rho[i] = 1.0 / sy_[i]; a[i] = rho[i] * Dot(s_[i], q); for (size_t k = 0; k < n; k++) q[k] -= a[i] * y_[i][k]; } double gamma = 1.0; if (m > 0) { double yhy = 0; for (size_t k = 0; k < n; k++) yhy += y_[m - 1][k] * y_[m - 1][k] / h_[k]; gamma = sy_[m - 1] / yhy; } for (size_t k = 0; k < n; k++) q[k] *= gamma / h_[k]; for (size_t i = 0; i < m; i++) { const double b = rho[i] * Dot(y_[i], q); for (size_t k = 0; k < n; k++) q[k] += s_[i][k] * (a[i] - b); } for (size_t k = 0; k < n; k++) d[k] = -q[k]; } size_t memory_; std::deque> s_, y_; std::deque sy_; // s.y of each pair, as taken when it was kept std::vector h_; };