add paddle.optimizer.LBFGS API and a modify its test case test=develop (#51912)

* modify numel in lbfgs and add a new test case. test=develop

* change param 'lr' to 'learning_rate' in lbfgs and its test

* add opt LBFGS and change test

python/paddle/fluid/tests/unittests/test_lbfgs_v2.py → python/paddle/fluid/tests/unittests/test_lbfgs_class.py

@@ -17,11 +17,9 @@ import unittest
 import numpy as np
 
 import paddle
-from paddle.incubate.optimizer import LBFGS
-from paddle.incubate.optimizer.line_search_dygraph import (
-    _cubic_interpolate,
-    _strong_wolfe,
-)
+from paddle.incubate.optimizer import lbfgs as incubate_lbfgs
+from paddle.incubate.optimizer import line_search_dygraph
+from paddle.optimizer import lbfgs
 
 np.random.seed(123)
 
@@ -57,6 +55,256 @@ def train_step(inputs, targets, net, opt):
 
 
 class TestLbfgs(unittest.TestCase):
+    def test_function_fix_incubate(self):
+        paddle.disable_static()
+        np_w = np.random.rand(1).astype(np.float32)
+
+        input = np.random.rand(1).astype(np.float32)
+        weights = [np.random.rand(1).astype(np.float32) for i in range(5)]
+        targets = [weights[i] * input for i in range(5)]
+
+        def func(w, x):
+            return w * x
+
+        net = Net(np_w, func)
+        opt = incubate_lbfgs.LBFGS(
+            learning_rate=1,
+            max_iter=10,
+            max_eval=None,
+            tolerance_grad=1e-07,
+            tolerance_change=1e-09,
+            history_size=5,
+            line_search_fn='strong_wolfe',
+            parameters=net.parameters(),
+        )
+
+        for weight, target in zip(weights, targets):
+            input = paddle.to_tensor(input)
+            target = paddle.to_tensor(target)
+            loss = 1
+            while loss > 1e-4:
+                loss = train_step(input, target, net, opt)
+            np.testing.assert_allclose(net.w, weight, rtol=1e-05)
+
+    def test_inf_minima_incubate(self):
+        # not converage
+        input = np.random.rand(1).astype(np.float32)
+
+        def outputs1(x):
+            # weight[0] = 1.01 weight[1] = 0.99
+            return x * x * x - 3 * x * x + 3 * 1.01 * 0.99 * x
+
+        def outputs2(x):
+            # weight[0] = 4 weight[1] = 2
+            return pow(x, 4) + 5 * pow(x, 2)
+
+        targets = [outputs1(input), outputs2(input)]
+        input = paddle.to_tensor(input)
+
+        def func1(extream_point, x):
+            return (
+                x * x * x
+                - 3 * x * x
+                + 3 * extream_point[0] * extream_point[1] * x
+            )
+
+        def func2(extream_point, x):
+            return pow(x, extream_point[0]) + 5 * pow(x, extream_point[1])
+
+        extream_point = np.array([-2.34, 1.45]).astype('float32')
+        net1 = Net(extream_point, func1)
+        # converge of old_sk.pop()
+        opt1 = incubate_lbfgs.LBFGS(
+            learning_rate=1,
+            max_iter=10,
+            max_eval=None,
+            tolerance_grad=1e-07,
+            tolerance_change=1e-09,
+            history_size=1,
+            line_search_fn='strong_wolfe',
+            parameters=net1.parameters(),
+        )
+
+        net2 = Net(extream_point, func2)
+        # converge of line_search = None
+        opt2 = incubate_lbfgs.LBFGS(
+            learning_rate=1,
+            max_iter=50,
+            max_eval=None,
+            tolerance_grad=1e-07,
+            tolerance_change=1e-09,
+            history_size=10,
+            line_search_fn=None,
+            parameters=net2.parameters(),
+        )
+
+        n_iter = 0
+        while n_iter < 20:
+            loss = train_step(input, paddle.to_tensor(targets[0]), net1, opt1)
+            n_iter = opt1.state_dict()["state"]["func_evals"]
+
+        n_iter = 0
+        while n_iter < 10:
+            loss = train_step(input, paddle.to_tensor(targets[1]), net2, opt2)
+            n_iter = opt1.state_dict()["state"]["func_evals"]
+
+    def test_error_incubate(self):
+        # test parameter is not Paddle Tensor
+        def error_func1():
+            extream_point = np.array([-1, 2]).astype('float32')
+            extream_point = paddle.to_tensor(extream_point)
+            return incubate_lbfgs.LBFGS(
+                learning_rate=1,
+                max_iter=10,
+                max_eval=None,
+                tolerance_grad=1e-07,
+                tolerance_change=1e-09,
+                history_size=3,
+                line_search_fn='strong_wolfe',
+                parameters=extream_point,
+            )
+
+        self.assertRaises(TypeError, error_func1)
+
+    def test_error2_incubate(self):
+        # not converage
+        input = np.random.rand(1).astype(np.float32)
+
+        def outputs2(x):
+            # weight[0] = 4 weight[1] = 2
+            return pow(x, 4) + 5 * pow(x, 2)
+
+        targets = [outputs2(input)]
+        input = paddle.to_tensor(input)
+
+        def func2(extream_point, x):
+            return pow(x, extream_point[0]) + 5 * pow(x, extream_point[1])
+
+        extream_point = np.array([-2.34, 1.45]).astype('float32')
+        net2 = Net(extream_point, func2)
+        # converge of line_search = None
+        opt2 = incubate_lbfgs.LBFGS(
+            learning_rate=1,
+            max_iter=50,
+            max_eval=None,
+            tolerance_grad=1e-07,
+            tolerance_change=1e-09,
+            history_size=10,
+            line_search_fn='None',
+            parameters=net2.parameters(),
+        )
+
+        def error_func():
+            n_iter = 0
+            while n_iter < 10:
+                loss = train_step(
+                    input, paddle.to_tensor(targets[0]), net2, opt2
+                )
+                n_iter = opt2.state_dict()["state"]["func_evals"]
+
+        self.assertRaises(RuntimeError, error_func)
+
+    def test_line_search_incubate(self):
+        def func1(x, alpha, d):
+            return paddle.to_tensor(x + alpha * d), paddle.to_tensor([0.0])
+
+        def func2(x, alpha, d):
+            return paddle.to_tensor(x + alpha * d), paddle.to_tensor([1.0])
+
+        def func3(x, alpha, d):
+            return paddle.to_tensor(x + alpha * d), paddle.to_tensor([-1.0])
+
+        line_search_dygraph._strong_wolfe(
+            func1,
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([0.001]),
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([0.0]),
+            paddle.to_tensor([0.0]),
+            max_ls=1,
+        )
+
+        line_search_dygraph._strong_wolfe(
+            func1,
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([0.001]),
+            paddle.to_tensor([0.0]),
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([0.0]),
+            paddle.to_tensor([0.0]),
+            max_ls=0,
+        )
+
+        line_search_dygraph._strong_wolfe(
+            func2,
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([-0.001]),
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([1.0]),
+            max_ls=1,
+        )
+
+        line_search_dygraph._strong_wolfe(
+            func3,
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([-0.001]),
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([1.0]),
+            max_ls=1,
+        )
+
+        line_search_dygraph._cubic_interpolate(
+            paddle.to_tensor([2.0]),
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([0.0]),
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([2.0]),
+            paddle.to_tensor([0.0]),
+            [0.1, 0.5],
+        )
+
+        line_search_dygraph._cubic_interpolate(
+            paddle.to_tensor([2.0]),
+            paddle.to_tensor([0.0]),
+            paddle.to_tensor([-3.0]),
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([-0.1]),
+            [0.1, 0.5],
+        )
+
+    def test_error3_incubate(self):
+        # test parameter shape size <= 0
+        def error_func3():
+            extream_point = np.array([-1, 2]).astype('float32')
+            extream_point = paddle.to_tensor(extream_point)
+
+            def func(w, x):
+                return w * x
+
+            net = Net(extream_point, func)
+            net.w = paddle.create_parameter(
+                shape=[-1, 2],
+                dtype=net.w.dtype,
+            )
+            opt = incubate_lbfgs.LBFGS(
+                learning_rate=1,
+                max_iter=10,
+                max_eval=None,
+                tolerance_grad=1e-07,
+                tolerance_change=1e-09,
+                history_size=5,
+                line_search_fn='strong_wolfe',
+                parameters=net.parameters(),
+            )
+
+        self.assertRaises(AssertionError, error_func3)
+
     def test_function_fix(self):
         paddle.disable_static()
         np_w = np.random.rand(1).astype(np.float32)
@@ -69,8 +317,8 @@ class TestLbfgs(unittest.TestCase):
             return w * x
 
         net = Net(np_w, func)
-        opt = LBFGS(
-            lr=1,
+        opt = lbfgs.LBFGS(
+            learning_rate=1,
             max_iter=10,
             max_eval=None,
             tolerance_grad=1e-07,
@@ -116,8 +364,8 @@ class TestLbfgs(unittest.TestCase):
         extream_point = np.array([-2.34, 1.45]).astype('float32')
         net1 = Net(extream_point, func1)
         # converge of old_sk.pop()
-        opt1 = LBFGS(
-            lr=1,
+        opt1 = lbfgs.LBFGS(
+            learning_rate=1,
             max_iter=10,
             max_eval=None,
             tolerance_grad=1e-07,
@@ -129,8 +377,8 @@ class TestLbfgs(unittest.TestCase):
 
         net2 = Net(extream_point, func2)
         # converge of line_search = None
-        opt2 = LBFGS(
-            lr=1,
+        opt2 = lbfgs.LBFGS(
+            learning_rate=1,
             max_iter=50,
             max_eval=None,
             tolerance_grad=1e-07,
@@ -155,8 +403,8 @@ class TestLbfgs(unittest.TestCase):
         def error_func1():
             extream_point = np.array([-1, 2]).astype('float32')
             extream_point = paddle.to_tensor(extream_point)
-            return LBFGS(
-                lr=1,
+            return lbfgs.LBFGS(
+                learning_rate=1,
                 max_iter=10,
                 max_eval=None,
                 tolerance_grad=1e-07,
@@ -185,8 +433,8 @@ class TestLbfgs(unittest.TestCase):
         extream_point = np.array([-2.34, 1.45]).astype('float32')
         net2 = Net(extream_point, func2)
         # converge of line_search = None
-        opt2 = LBFGS(
-            lr=1,
+        opt2 = lbfgs.LBFGS(
+            learning_rate=1,
             max_iter=50,
             max_eval=None,
             tolerance_grad=1e-07,
@@ -216,7 +464,18 @@ class TestLbfgs(unittest.TestCase):
         def func3(x, alpha, d):
             return paddle.to_tensor(x + alpha * d), paddle.to_tensor([-1.0])
 
-        _strong_wolfe(
+        lbfgs._strong_wolfe(
+            func1,
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([0.001]),
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([1.0]),
+            paddle.to_tensor([0.0]),
+            paddle.to_tensor([0.0]),
+            max_ls=1,
+        )
+
+        lbfgs._strong_wolfe(
             func1,
             paddle.to_tensor([1.0]),
             paddle.to_tensor([0.001]),
@@ -227,7 +486,7 @@ class TestLbfgs(unittest.TestCase):
             max_ls=0,
         )
 
-        _strong_wolfe(
+        lbfgs._strong_wolfe(
             func2,
             paddle.to_tensor([1.0]),
             paddle.to_tensor([-0.001]),
@@ -238,7 +497,7 @@ class TestLbfgs(unittest.TestCase):
             max_ls=1,
         )
 
-        _strong_wolfe(
+        lbfgs._strong_wolfe(
             func3,
             paddle.to_tensor([1.0]),
             paddle.to_tensor([-0.001]),
@@ -249,7 +508,7 @@ class TestLbfgs(unittest.TestCase):
             max_ls=1,
         )
 
-        _cubic_interpolate(
+        lbfgs._cubic_interpolate(
             paddle.to_tensor([2.0]),
             paddle.to_tensor([1.0]),
             paddle.to_tensor([0.0]),
@@ -259,7 +518,7 @@ class TestLbfgs(unittest.TestCase):
             [0.1, 0.5],
         )
 
-        _cubic_interpolate(
+        lbfgs._cubic_interpolate(
             paddle.to_tensor([2.0]),
             paddle.to_tensor([0.0]),
             paddle.to_tensor([-3.0]),
@@ -269,6 +528,33 @@ class TestLbfgs(unittest.TestCase):
             [0.1, 0.5],
         )
 
+    def test_error3(self):
+        # test parameter shape size <= 0
+        def error_func3():
+            extream_point = np.array([-1, 2]).astype('float32')
+            extream_point = paddle.to_tensor(extream_point)
+
+            def func(w, x):
+                return w * x
+
+            net = Net(extream_point, func)
+            net.w = paddle.create_parameter(
+                shape=[-1, 2],
+                dtype=net.w.dtype,
+            )
+            opt = lbfgs.LBFGS(
+                learning_rate=1,
+                max_iter=10,
+                max_eval=None,
+                tolerance_grad=1e-07,
+                tolerance_change=1e-09,
+                history_size=5,
+                line_search_fn='strong_wolfe',
+                parameters=net.parameters(),
+            )
+
+        self.assertRaises(AssertionError, error_func3)
+
 
 if __name__ == '__main__':
     unittest.main()

python/paddle/incubate/optimizer/lbfgs.py

@@ -18,10 +18,12 @@ from functools import reduce
 
 import paddle
 from paddle.optimizer import Optimizer
+from paddle.utils import deprecated
 
 from .line_search_dygraph import _strong_wolfe
 
 
+@deprecated(since="2.5.0", update_to="paddle.optimizer.LBFGS", level=1)
 class LBFGS(Optimizer):
     r"""
     The L-BFGS is a quasi-Newton method for solving an unconstrained optimization problem over a differentiable function.
@@ -40,7 +42,7 @@ class LBFGS(Optimizer):
         Jorge Nocedal, Stephen J. Wright, Numerical Optimization, Second Edition, 2006. pp179: Algorithm 7.5 (L-BFGS).
 
     Args:
-        lr (float, optional): learning rate .The default value is 1.
+        learning_rate (float, optional): learning rate .The default value is 1.
         max_iter (int, optional): maximal number of iterations per optimization step.
             The default value is 20.
         max_eval (int, optional): maximal number of function evaluations per optimization
@@ -97,7 +99,7 @@ class LBFGS(Optimizer):
                     return self.w * x
 
             net = Net()
-            opt = LBFGS(lr=1, max_iter=1, max_eval=None, tolerance_grad=1e-07, tolerance_change=1e-09, history_size=100, line_search_fn='strong_wolfe', parameters=net.parameters())
+            opt = LBFGS(learning_rate=1, max_iter=1, max_eval=None, tolerance_grad=1e-07, tolerance_change=1e-09, history_size=100, line_search_fn='strong_wolfe', parameters=net.parameters())
             def train_step(inputs, targets):
                 def closure():
                     outputs = net(inputs)
@@ -118,7 +120,7 @@ class LBFGS(Optimizer):
 
     def __init__(
         self,
-        lr=1.0,
+        learning_rate=1.0,
         max_iter=20,
         max_eval=None,
         tolerance_grad=1e-7,
@@ -133,7 +135,7 @@ class LBFGS(Optimizer):
         if max_eval is None:
             max_eval = max_iter * 5 // 4
 
-        self.lr = lr
+        self.learning_rate = learning_rate
         self.max_iter = max_iter
         self.max_eval = max_eval
         self.tolerance_grad = tolerance_grad
@@ -202,7 +204,7 @@ class LBFGS(Optimizer):
     def _add_grad(self, alpha, direction):
         offset = 0
         for p in self._params:
-            numel = p.numel().item()
+            numel = reduce(lambda x, y: x * y, p.shape)
             p = paddle.assign(
                 p.add(
                     direction[offset : offset + numel].reshape(p.shape) * alpha
@@ -234,11 +236,10 @@ class LBFGS(Optimizer):
         """
 
         with paddle.no_grad():
-
             # Make sure the closure is always called with grad enabled
             closure = paddle.enable_grad()(closure)
 
-            lr = self.lr
+            learning_rate = self.learning_rate
             max_iter = self.max_iter
             max_eval = self.max_eval
             tolerance_grad = self.tolerance_grad
@@ -342,9 +343,11 @@ class LBFGS(Optimizer):
                 ############################################################
                 # reset initial guess for step size
                 if state['n_iter'] == 1:
-                    alpha = min(1.0, 1.0 / flat_grad.abs().sum()) * lr
+                    alpha = (
+                        min(1.0, 1.0 / flat_grad.abs().sum()) * learning_rate
+                    )
                 else:
-                    alpha = lr
+                    alpha = learning_rate
 
                 # directional derivative
                 gtd = flat_grad.dot(d)

python/paddle/optimizer/__init__.py

@@ -22,6 +22,7 @@ from .adadelta import Adadelta  # noqa: F401
 from .sgd import SGD  # noqa: F401
 from .momentum import Momentum  # noqa: F401
 from .lamb import Lamb  # noqa: F401
+from .lbfgs import LBFGS  # noqa: F401
 from . import lr  # noqa: F401
 
 __all__ = [  # noqa
@@ -35,4 +36,5 @@ __all__ = [  # noqa
     'SGD',
     'Momentum',
     'Lamb',
+    'LBFGS',
 ]

python/paddle/optimizer/lbfgs.py

+# Copyright (c) 2022 PaddlePaddle Authors. All Rights Reserved.
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+from collections import defaultdict
+from functools import reduce
+
+import paddle
+
+from ..fluid import framework
+from .optimizer import Optimizer
+
+__all__ = []
+
+
+def _cubic_interpolate(x1, f1, g1, x2, f2, g2, bounds=None):
+    r"""Cubic interpolation between (x1, f1, g1) and (x2, f2, g2).
+        Use two points and their gradient to determine a cubic function and get the minimun point
+        between them in the cubic curve.
+
+    Reference:
+        Jorge Nocedal, Stephen J. Wright, Numerical Optimization, Second Edition, 2006.
+        pp59: formula 3.59
+
+    Args:
+        x1, f1, g1: point1's position, value and gradient.
+        x2, f2, g2: point2's position, value and gradient.
+        bounds: bounds of interpolation area
+
+    Returns:
+        min_pos: the minimun point between the specified points in the cubic curve.
+    """
+    # Compute bounds of interpolation area
+    if bounds is not None:
+        xmin_bound, xmax_bound = bounds
+    else:
+        xmin_bound, xmax_bound = (x1, x2) if x1 <= x2 else (x2, x1)
+
+    d1 = g1 + g2 - 3 * (f1 - f2) / (x1 - x2)
+    d2_square = d1**2 - g1 * g2
+    if d2_square >= 0:
+        d2 = d2_square.sqrt()
+        if x1 <= x2:
+            min_pos = x2 - (x2 - x1) * ((g2 + d2 - d1) / (g2 - g1 + 2 * d2))
+        else:
+            min_pos = x1 - (x1 - x2) * ((g1 + d2 - d1) / (g1 - g2 + 2 * d2))
+        return min(max(min_pos, xmin_bound), xmax_bound)
+    else:
+        return (xmin_bound + xmax_bound) / 2.0
+
+
+def _strong_wolfe(
+    obj_func,
+    xk,
+    alpha,
+    d,
+    loss,
+    grad,
+    gtd,
+    c1=1e-4,
+    c2=0.9,
+    tolerance_change=1e-9,
+    max_ls=25,
+):
+    r"""Implements of line search algorithm that satisfies the strong Wolfe conditions using double zoom.
+
+    Reference:
+        Jorge Nocedal, Stephen J. Wright, Numerical Optimization, Second Edition, 2006.
+        pp60: Algorithm 3.5 (Line Search Algorithm).
+
+    Args:
+        obj_func: the objective function to minimize. ```` accepts a multivariate input and returns a scalar.
+        xk (Tensor): the starting point of the iterates.
+        alpha (Scalar): the initial step size.
+        d (Tensor): search direction.
+        loss (scalar): the initial loss
+        grad (Tensor): the initial grad
+        c1 (Scalar): parameter for sufficient decrease condition.
+        c2 (Scalar): parameter for curvature condition.
+        tolerance_change (Scalar): terminates if the change of function value/position/parameter between
+            two iterations is smaller than this value.
+        max_ls(int): max iteration of line search.
+        alpha_max (float): max step length.
+
+    Returns:
+        loss_new (Scaler): loss of obj_func at final alpha.
+        grad_new, (Tensor): derivative of obj_func at final alpha.
+        alpha(Tensor): optimal step length, or 0. if the line search algorithm did not converge.
+        ls_func_evals (Scaler): number of objective function called in line search process.
+
+    Following summarizes the essentials of the strong Wolfe line search algorithm.
+    Some notations used in the description:
+
+        - `func` denotes the objective function.
+        - `obi_func` is a function of step size alpha, restricting `obj_func` on a line.
+
+            obi_func = func(xk + alpha * d),
+            where xk is the position of k'th iterate, d is the line search direction(decent direction),
+            and a is the step size.
+        - alpha : substitute of alpha
+        - a1 is alpha of last iteration, which is alpha_(i-1).
+        - a2 is alpha of current iteration, which is alpha_i.
+        - a_lo is alpha in left position when calls zoom, which is alpha_low.
+        - a_hi is alpha in right position when calls zoom, which is alpha_high.
+
+    Line Search Algorithm:
+        repeat
+            Compute obi_func(a2) and derphi(a2).
+            1. If obi_func(a2) > obi_func(0) + c_1 * a2 * obi_func'(0) or [obi_func(a2) >= obi_func(a1) and i > 1],
+                alpha= zoom(a1, a2) and stop;
+
+            2. If |obi_func'(a2)| <= -c_2 * obi_func'(0),
+                alpha= a2 and stop;
+
+            3. If obi_func'(a2) >= 0,
+                alpha= zoom(a2, a1) and stop;
+
+            a1 = a2
+            a2 = min(2 * a2, a2)
+            i = i + 1
+        end(repeat)
+
+    zoom(a_lo, a_hi) Algorithm:
+        repeat
+            aj = cubic_interpolation(a_lo, a_hi)
+            Compute obi_func(aj) and derphi(aj).
+            1. If obi_func(aj) > obi_func(0) + c_1 * aj * obi_func'(0) or obi_func(aj) >= obi_func(a_lo),
+                then a_hi <- aj;
+            2.
+                2.1. If |obi_func'(aj)| <= -c_2 * obi_func'(0), then alpha= a2 and stop;
+
+                2.2. If obi_func'(aj) * (a2 - a1) >= 0, then a_hi = a_lo
+
+                a_lo = aj;
+        end(repeat)
+    """
+
+    d_norm = d.abs().max()
+    grad = grad.clone()
+    # evaluate objective and gradient using initial step
+    loss_new, grad_new = obj_func(xk, alpha, d)
+    ls_func_evals = 1
+    gtd_new = paddle.dot(grad_new, d)
+
+    # bracket an interval containing a point satisfying the Wolfe criteria
+    t_prev, f_prev, g_prev, gtd_prev = (
+        paddle.to_tensor(0, dtype=grad.dtype),
+        loss,
+        grad,
+        gtd,
+    )
+    done = False
+    ls_iter = 0
+    while ls_iter < max_ls:
+        # check conditions
+        if loss_new > (loss + c1 * alpha * gtd) or (
+            ls_iter > 1 and loss_new >= f_prev
+        ):
+            bracket = [t_prev, alpha]
+            bracket_f = [f_prev, loss_new]
+            bracket_g = [g_prev, grad_new.clone()]
+            bracket_gtd = [gtd_prev, gtd_new]
+            break
+
+        if paddle.abs(gtd_new) <= -c2 * gtd:
+            bracket = [alpha]
+            bracket_f = [loss_new]
+            bracket_g = [grad_new]
+            done = True
+            break
+
+        if gtd_new >= 0:
+            bracket = [t_prev, alpha]
+            bracket_f = [f_prev, loss_new]
+            bracket_g = [g_prev, grad_new.clone()]
+            bracket_gtd = [gtd_prev, gtd_new]
+            break
+
+        # interpolate
+        min_step = alpha + 0.01 * (alpha - t_prev)
+        max_step = alpha * 10
+        tmp = alpha
+        alpha = _cubic_interpolate(
+            t_prev,
+            f_prev,
+            gtd_prev,
+            alpha,
+            loss_new,
+            gtd_new,
+            bounds=(min_step, max_step),
+        )
+
+        # next step
+        t_prev = tmp
+        f_prev = loss_new
+        g_prev = grad_new.clone()
+        gtd_prev = gtd_new
+
+        loss_new, grad_new = obj_func(xk, alpha, d)
+        ls_func_evals += 1
+        gtd_new = grad_new.dot(d)
+        ls_iter += 1
+
+    # reached max number of iterations?
+    if ls_iter == max_ls:
+        bracket = [0, alpha]
+        bracket_f = [loss, loss_new]
+        bracket_g = [grad, grad_new]
+
+    # zoom phase: we now have a point satisfying the criteria, or
+    # a bracket around it. We refine the bracket until we find the
+    # exact point satisfying the criteria
+    insuf_progress = False
+    # find high and low points in bracket
+    low_pos, high_pos = (0, 1) if bracket_f[0] <= bracket_f[-1] else (1, 0)
+    while not done and ls_iter < max_ls:
+        # line-search bracket is so small
+        if paddle.abs(bracket[1] - bracket[0]) * d_norm < tolerance_change:
+            break
+
+        # compute new trial value
+        alpha = _cubic_interpolate(
+            bracket[0],
+            bracket_f[0],
+            bracket_gtd[0],
+            bracket[1],
+            bracket_f[1],
+            bracket_gtd[1],
+        )
+
+        # test that we are making sufficient progress:
+        # in case `alpha` is so close to boundary, we mark that we are making
+        # insufficient progress, and if
+        #   + we have made insufficient progress in the last step, or
+        #   + `alpha` is at one of the boundary,
+        # we will move `alpha` to a position which is `0.1 * len(bracket)`
+        # away from the nearest boundary point.
+
+        eps = 0.1 * (max(bracket) - min(bracket))
+        if min(max(bracket) - alpha, alpha - min(bracket)) < eps:
+            # interpolation close to boundary
+            if insuf_progress or alpha >= max(bracket) or alpha <= min(bracket):
+                # evaluate at 0.1 away from boundary
+                if paddle.abs(alpha - max(bracket)) < paddle.abs(
+                    alpha - min(bracket)
+                ):
+                    alpha = max(bracket) - eps
+                else:
+                    alpha = min(bracket) + eps
+                insuf_progress = False
+            else:
+                insuf_progress = True
+        else:
+            insuf_progress = False
+        # Evaluate new point
+        loss_new, grad_new = obj_func(xk, alpha, d)
+        ls_func_evals += 1
+        gtd_new = grad_new.dot(d)
+        ls_iter += 1
+
+        if (
+            loss_new > (loss + c1 * alpha * gtd)
+            or loss_new >= bracket_f[low_pos]
+        ):
+            # Armijo condition not satisfied or not lower than lowest point
+            bracket[high_pos] = alpha
+            bracket_f[high_pos] = loss_new
+            # bracket_g[high_pos] = grad_new.clone(memory_format=torch.contiguous_format)
+            bracket_g[high_pos] = grad_new.clone()
+            bracket_gtd[high_pos] = gtd_new
+            low_pos, high_pos = (
+                (0, 1) if bracket_f[0] <= bracket_f[1] else (1, 0)
+            )
+        else:
+            if paddle.abs(gtd_new) <= -c2 * gtd:
+                # Wolfe conditions satisfied
+                done = True
+            elif gtd_new * (bracket[high_pos] - bracket[low_pos]) >= 0:
+                # old high becomes new low
+                bracket[high_pos] = bracket[low_pos]
+                bracket_f[high_pos] = bracket_f[low_pos]
+                bracket_g[high_pos] = bracket_g[low_pos]
+                bracket_gtd[high_pos] = bracket_gtd[low_pos]
+
+            # new point becomes new low
+            bracket[low_pos] = alpha
+            bracket_f[low_pos] = loss_new
+            bracket_g[low_pos] = grad_new.clone()
+            bracket_gtd[low_pos] = gtd_new
+
+    # return stuff
+    alpha = bracket[low_pos]
+    loss_new = bracket_f[low_pos]
+    grad_new = bracket_g[low_pos]
+    return loss_new, grad_new, alpha, ls_func_evals
+
+
+class LBFGS(Optimizer):
+    r"""
+    The L-BFGS is a quasi-Newton method for solving an unconstrained optimization problem over a differentiable function.
+    Closely related is the Newton method for minimization. Consider the iterate update formula:
+
+    .. math::
+        x_{k+1} = x_{k} + H_k \nabla{f_k}
+
+    If :math:`H_k` is the inverse Hessian of :math:`f` at :math:`x_k`, then it's the Newton method.
+    If :math:`H_k` is symmetric and positive definite, used as an approximation of the inverse Hessian, then
+    it's a quasi-Newton. In practice, the approximated Hessians are obtained
+    by only using the gradients, over either whole or part of the search
+    history, the former is BFGS, the latter is L-BFGS.
+
+    Reference:
+        Jorge Nocedal, Stephen J. Wright, Numerical Optimization, Second Edition, 2006. pp179: Algorithm 7.5 (L-BFGS).
+
+    Args:
+        learning_rate (float, optional): learning rate .The default value is 1.
+        max_iter (int, optional): maximal number of iterations per optimization step.
+            The default value is 20.
+        max_eval (int, optional): maximal number of function evaluations per optimization
+            step. The default value is max_iter * 1.25.
+        tolerance_grad (float, optional): termination tolerance on first order optimality
+            The default value is 1e-5.
+        tolerance_change (float, optional): termination tolerance on function
+            value/parameter changes. The default value is 1e-9.
+        history_size (int, optional): update history size. The default value is 100.
+        line_search_fn (string, optional): either 'strong_wolfe' or None. The default value is strong_wolfe.
+        parameters (list|tuple, optional): List/Tuple of ``Tensor`` names to update to minimize ``loss``. \
+            This parameter is required in dygraph mode. The default value is None.
+        weight_decay (float|WeightDecayRegularizer, optional): The strategy of regularization. \
+            It canbe a float value as coeff of L2 regularization or \
+            :ref:`api_fluid_regularizer_L1Decay`, :ref:`api_fluid_regularizer_L2Decay`.
+            If a parameter has set regularizer using :ref:`api_fluid_ParamAttr` already, \
+            the regularization setting here in optimizer will be ignored for this parameter. \
+            Otherwise, the regularization setting here in optimizer will take effect. \
+            Default None, meaning there is no regularization.
+        grad_clip (GradientClipBase, optional): Gradient cliping strategy, it's an instance of \
+            some derived class of ``GradientClipBase`` . There are three cliping strategies \
+            ( :ref:`api_fluid_clip_GradientClipByGlobalNorm` , :ref:`api_fluid_clip_GradientClipByNorm` , \
+            :ref:`api_fluid_clip_GradientClipByValue` ). Default None, meaning there is no gradient clipping.
+        name (str, optional): Normally there is no need for user to set this property.
+            For more information, please refer to :ref:`api_guide_Name`.
+            The default value is None.
+
+    Return:
+        loss (Tensor): the final loss of closure.
+
+    Examples:
+        .. code-block:: python
+
+            import paddle
+            import numpy as np
+            from paddle.incubate.optimizer import LBFGS
+
+            paddle.disable_static()
+            np.random.seed(0)
+            np_w = np.random.rand(1).astype(np.float32)
+            np_x = np.random.rand(1).astype(np.float32)
+
+            inputs = [np.random.rand(1).astype(np.float32) for i in range(10)]
+            # y = 2x
+            targets = [2 * x for x in inputs]
+
+            class Net(paddle.nn.Layer):
+                def __init__(self):
+                    super().__init__()
+                    w = paddle.to_tensor(np_w)
+                    self.w = paddle.create_parameter(shape=w.shape, dtype=w.dtype, default_initializer=paddle.nn.initializer.Assign(w))
+
+                def forward(self, x):
+                    return self.w * x
+
+            net = Net()
+            opt = LBFGS(learning_rate=1, max_iter=1, max_eval=None, tolerance_grad=1e-07, tolerance_change=1e-09, history_size=100, line_search_fn='strong_wolfe', parameters=net.parameters())
+            def train_step(inputs, targets):
+                def closure():
+                    outputs = net(inputs)
+                    loss = paddle.nn.functional.mse_loss(outputs, targets)
+                    print('loss: ', loss.item())
+                    opt.clear_grad()
+                    loss.backward()
+                    return loss
+                opt.step(closure)
+
+
+            for input, target in zip(inputs, targets):
+                input = paddle.to_tensor(input)
+                target = paddle.to_tensor(target)
+                train_step(input, target)
+
+    """
+
+    def __init__(
+        self,
+        learning_rate=1.0,
+        max_iter=20,
+        max_eval=None,
+        tolerance_grad=1e-7,
+        tolerance_change=1e-9,
+        history_size=100,
+        line_search_fn=None,
+        parameters=None,
+        weight_decay=None,
+        grad_clip=None,
+        name=None,
+    ):
+        if max_eval is None:
+            max_eval = max_iter * 5 // 4
+
+        self.learning_rate = learning_rate
+        self.max_iter = max_iter
+        self.max_eval = max_eval
+        self.tolerance_grad = tolerance_grad
+        self.tolerance_change = tolerance_change
+        self.history_size = history_size
+        self.line_search_fn = line_search_fn
+
+        if isinstance(parameters, paddle.Tensor):
+            raise TypeError(
+                "parameters argument given to the optimizer should be "
+                "an iterable of Tensors or dicts, but got " + type(parameters)
+            )
+
+        self.state = defaultdict(dict)
+
+        super().__init__(
+            learning_rate=1.0,
+            parameters=parameters,
+            weight_decay=weight_decay,
+            grad_clip=grad_clip,
+            name=name,
+        )
+
+        if not isinstance(self._parameter_list[0], dict):
+            self._params = self._parameter_list
+        else:
+            for idx, param_group in enumerate(self._param_groups):
+                self._params = param_group['params']
+
+        self._numel_cache = None
+
+    def state_dict(self):
+        r"""Returns the state of the optimizer as a :class:`dict`.
+
+        Return:
+            state, a dict holding current optimization state. Its content
+                differs between optimizer classes.
+        """
+
+        packed_state = {}
+        for k, v in self.state.items():
+            packed_state.update({k: v})
+
+        return {'state': packed_state}
+
+    def _numel(self):
+        # compute the number of all parameters
+        if self._numel_cache is None:
+            self._numel_cache = reduce(
+                lambda total, p: total + p.numel(), self._params, 0
+            )
+        return self._numel_cache
+
+    # flatten grad of all parameters
+    def _gather_flat_grad(self):
+        views = []
+        for p in self._params:
+            if p.grad is None:
+                view = paddle.zeros_like(p).reshape([-1])
+            else:
+                view = p.grad.reshape([-1])
+            views.append(view)
+        return paddle.concat(views, axis=0)
+
+    # compute xk = xk + alpha * direction
+    def _add_grad(self, alpha, direction):
+        offset = 0
+        for p in self._params:
+            numel = reduce(lambda x, y: x * y, p.shape)
+            p = paddle.assign(
+                p.add(
+                    direction[offset : offset + numel].reshape(p.shape) * alpha
+                ),
+                p,
+            )
+            offset += numel
+        assert offset == self._numel()
+
+    def _clone_param(self):
+        return [p.clone() for p in self._params]
+
+    def _set_param(self, params_data):
+        for p, pdata in zip(self._params, params_data):
+            paddle.assign(pdata, p)
+
+    def _directional_evaluate(self, closure, x, alpha, d):
+        self._add_grad(alpha, d)
+        loss = float(closure())
+        flat_grad = self._gather_flat_grad()
+        self._set_param(x)
+        return loss, flat_grad
+
+    @framework.non_static_only
+    def step(self, closure):
+        """Performs a single optimization step.
+        Args:
+            closure (callable): A closure that reevaluates the model
+                and returns the loss.
+        """
+
+        with paddle.no_grad():
+            # Make sure the closure is always called with grad enabled
+            closure = paddle.enable_grad()(closure)
+
+            learning_rate = self.learning_rate
+            max_iter = self.max_iter
+            max_eval = self.max_eval
+            tolerance_grad = self.tolerance_grad
+            tolerance_change = self.tolerance_change
+            line_search_fn = self.line_search_fn
+            history_size = self.history_size
+            state = self.state
+            state.setdefault('func_evals', 0)
+            state.setdefault('n_iter', 0)
+
+            # evaluate initial f(x) and df/dx
+            orig_loss = closure()
+            loss = float(orig_loss)
+
+            current_evals = 1
+            state['func_evals'] += 1
+
+            flat_grad = self._gather_flat_grad()
+            opt_cond = flat_grad.abs().max() <= tolerance_grad
+
+            # optimal condition
+            if opt_cond:
+                return orig_loss
+
+            # tensors cached in state (for tracing)
+            d = state.get('d')
+            alpha = state.get('alpha')
+            old_yk = state.get('old_yk')
+            old_sk = state.get('old_sk')
+            ro = state.get('ro')
+            H_diag = state.get('H_diag')
+            prev_flat_grad = state.get('prev_flat_grad')
+            prev_loss = state.get('prev_loss')
+
+            n_iter = 0
+            # optimize for a max of max_iter iterations
+            while n_iter < max_iter:
+                # keep track of nb of iterations
+                n_iter += 1
+                state['n_iter'] += 1
+
+                ############################################################
+                # compute gradient descent direction
+                ############################################################
+                if state['n_iter'] == 1:
+                    d = flat_grad.neg()
+                    old_yk = []
+                    old_sk = []
+                    ro = []
+                    H_diag = paddle.to_tensor(1.0, dtype=orig_loss.dtype)
+                else:
+                    # do lbfgs update (update memory)
+                    y = flat_grad.subtract(prev_flat_grad)
+                    s = d.multiply(paddle.to_tensor(alpha, dtype=d.dtype))
+                    ys = y.dot(s)
+                    if ys > 1e-10:
+                        # updating memory
+                        if len(old_yk) == history_size:
+                            # shift history by one (limited-memory)
+                            old_yk.pop(0)
+                            old_sk.pop(0)
+                            ro.pop(0)
+
+                        # store new direction/step
+                        old_yk.append(y)
+                        old_sk.append(s)
+                        ro.append(1.0 / ys)
+
+                        # update scale of initial Hessian approximation
+                        H_diag = ys / y.dot(y)  # (y*y)
+
+                    # compute the approximate (L-BFGS) inverse Hessian
+                    # multiplied by the gradient
+                    num_old = len(old_yk)
+
+                    if 'al' not in state:
+                        state['al'] = [None] * history_size
+                    al = state['al']
+
+                    # iteration in L-BFGS loop collapsed to use just one buffer
+                    q = flat_grad.neg()
+                    for i in range(num_old - 1, -1, -1):
+                        al[i] = old_sk[i].dot(q) * ro[i]
+                        paddle.assign(q.add(old_yk[i] * (-al[i])), q)
+
+                    # multiply by initial Hessian
+                    # r/d is the final direction
+                    d = r = paddle.multiply(q, H_diag)
+                    for i in range(num_old):
+                        be_i = old_yk[i].dot(r) * ro[i]
+                        paddle.assign(r.add(old_sk[i] * (al[i] - be_i)), r)
+
+                if prev_flat_grad is None:
+                    prev_flat_grad = flat_grad.clone()
+                else:
+                    paddle.assign(flat_grad, prev_flat_grad)
+                prev_loss = loss
+
+                ############################################################
+                # compute step length
+                ############################################################
+                # reset initial guess for step size
+                if state['n_iter'] == 1:
+                    alpha = (
+                        min(1.0, 1.0 / flat_grad.abs().sum()) * learning_rate
+                    )
+                else:
+                    alpha = learning_rate
+
+                # directional derivative
+                gtd = flat_grad.dot(d)
+
+                # directional derivative is below tolerance
+                if gtd > -tolerance_change:
+                    break
+
+                # optional line search: user function
+                ls_func_evals = 0
+                if line_search_fn is not None:
+                    # perform line search, using user function
+                    if line_search_fn != "strong_wolfe":
+                        raise RuntimeError("only 'strong_wolfe' is supported")
+                    else:
+                        x_init = self._clone_param()
+
+                        def obj_func(x, alpha, d):
+                            return self._directional_evaluate(
+                                closure, x, alpha, d
+                            )
+
+                        loss, flat_grad, alpha, ls_func_evals = _strong_wolfe(
+                            obj_func, x_init, alpha, d, loss, flat_grad, gtd
+                        )
+                    self._add_grad(alpha, d)
+                    opt_cond = flat_grad.abs().max() <= tolerance_grad
+                else:
+                    # no line search, simply move with fixed-step
+                    self._add_grad(alpha, d)
+                    if n_iter != max_iter:
+                        with paddle.enable_grad():
+                            loss = float(closure())
+                        flat_grad = self._gather_flat_grad()
+                        opt_cond = flat_grad.abs().max() <= tolerance_grad
+                        ls_func_evals = 1
+
+                # update func eval
+                current_evals += ls_func_evals
+                state['func_evals'] += ls_func_evals
+
+                # optimal condition
+                if opt_cond:
+                    break
+
+                # lack of progress
+                if (d * alpha).abs().max() <= tolerance_change:
+                    break
+
+                if abs(loss - prev_loss) < tolerance_change:
+                    break
+
+                # check conditions
+                if current_evals >= max_eval:
+                    break
+
+                if n_iter == max_iter:
+                    break
+
+            state['d'] = d
+            state['alpha'] = alpha
+            state['old_yk'] = old_yk
+            state['old_sk'] = old_sk
+            state['ro'] = ro
+            state['H_diag'] = H_diag
+            state['prev_flat_grad'] = prev_flat_grad
+            state['prev_loss'] = prev_loss
+
+        return orig_loss