🫐Python和C++及MATLAB低温磁态机器学习模型

1. 使用小规模磁态训练模型，并在二维三维爱德华兹-安德森模型上使用四种算法测试：贪婪算法、模拟退火算法、并行回火算法和本模型。 2. 将磁态基态搜索视为马尔可夫决策过程 (MDP)，学习最优策略以累积其最大回报。 3. 设计图神经网络式编码器表征状态和动作。 4. 模型求解非确定性多项式时间问题。

Python和C++及MATLAB低温磁态机器学习模型 | 亚图跨际viadean on Notion

🏈指点迷津 | Brief

🍁磁态分析

🍪语言内容分比

🍇Python马尔可夫决策过程策略选择

我们将要实现的马尔可夫决策过程是一个离散时间随机控制过程。它提供了一个数学框架，用于在结果部分随机、部分受决策者控制的情况下对决策进行建模。马尔可夫决策过程是一种对顺序决策问题进行建模的工具，其中决策者以顺序方式与环境进行交互。

假设问题是：我们有一个由 12 个状态组成的世界，1 个障碍初始状态（状态 5）和 2 个结束状态（状态 10、11）。对于每个状态，我们都有一个奖励，我们希望找到实施最佳奖励累积的策略。对于每个状态，奖励为 -0.04（r=-0.4）。对于状态 10，奖励为 1，对于结束状态 11，奖励为 -1。

$$\begin{array}{|l|l|l|l|} \hline 1 & 4 & 7 & 10 \\ \hline 2 & 5 & 8 & 11 \\ \hline 3 & 6 & 9 & 12 \\ \hline \end{array}$$

对于所处的每一个状态，我们都想找到最好的行动，是向北（N）、向南（S）、向东（E）还是向西（W）走。基本上，我们希望以最短的路到达状态 10。首先，让我们创建一个世界类，它将在我们的世界中用于解决问题。这个对象可以帮助我们声明世界、绘制世界并绘制我们发现的移动世界的策略。方法 plot_world 绘制了我们上面看到的图像，将使用值迭代方法代替策略迭代。

使用策略迭代求解马尔可夫决策过程，其中 γ = 0.9 和 r = 0.04。我们使用均匀随机策略初始化了策略迭代算法。并且分别使用 World 类的绘制值和绘制策略函数，将每次迭代步骤后的值函数和策略绘制成网格世界的两个不同图形，我们得到了以下结果：

初次迭代：网格世界值

$$\begin{array}{|l|l|l|l|} \hline-0.287 & -0.169 & 0.05 & 1.0 \\ \hline-0.354 & & -0.479 & -1.0 \\ \hline-0.402 & -0.451 & -0.524 & -0.696 \\ \hline \end{array}$$

二次迭代：

$$\begin{array}{|l|l|l|c|} \hline 0.509 & 0.649 & 0.795 & 1.0 \\ \hline 0.398 & & 0.486 & -1.0 \\ \hline 0.291 & 0.207 & 0.168 & -0.009 \\ \hline \end{array}$$

三次迭代：

$$\begin{array}{|l|l|l|l|} \hline 0.509 & 0.649 & 0.795 & 1.0 \\ \hline 0.398 & & 0.486 & -1.0 \\ \hline 0.291 & 0.207 & 0.34 & 0.126 \\ \hline \end{array}$$

四次迭代：

$$\begin{array}{|l|l|l|l|} \hline 0.509 & 0.649 & 0.795 & 1.0 \\ \hline 0.398 & & 0.486 & -1.0 \\ \hline 0.296 & 0.253 & 0.344 & 0.129 \\ \hline \end{array}$$

我们可以看到，经过 4 次迭代后我们得到了解，并且我们可以看到与上一次迭代相比，每次迭代的进展情况。如果使用值迭代，应该得到与策略迭代算法相同的结果。

世界类：

import numpy as np
import matplotlib.pyplot as plt

class World:

    def __init__(self):

        self.nRows = 3
        self.nCols = 4
        self.stateObstacles = [5]
        self.stateTerminals = [10, 11]
        self.nStates = 12
        self.nActions = 4

    def _plot_world(self):

        nStates = self.nStates
        nRows = self.nRows
        nCols = self.nCols
        stateObstacles = self.stateObstacles
        stateTerminals = self.stateTerminals
        coord = [[0, 0], [nCols, 0], [nCols, nRows], [0, nRows], [0, 0]]
        xs, ys = zip(*coord)
        plt.plot(xs, ys, "black")
        for i in stateObstacles:
            (I, J) = np.unravel_index(i, shape=(nRows, nCols), order='F')
            coord = [[J, nRows - I],
                     [J + 1, nRows - I],
                     [J + 1, nRows - I + 1],
                     [J, nRows - I + 1],
                     [J, nRows - I]]
            xs, ys = zip(*coord)
            plt.fill(xs, ys, "0.5")
            plt.plot(xs, ys, "black")
        for ind, i in enumerate(stateTerminals):
            (I, J) = np.unravel_index(i, shape=(nRows, nCols), order='F')
            coord = [[J, nRows - I],
                     [J + 1, nRows - I],
                     [J + 1, nRows - I + 1],
                     [J, nRows - I + 1],
                     [J, nRows - I]]
            xs, ys = zip(*coord)
            plt.fill(xs, ys, "0.8")
            plt.plot(xs, ys, "black")
        plt.plot(xs, ys, "black")
        X, Y = np.meshgrid(range(nCols + 1), range(nRows + 1))
        plt.plot(X, Y, 'k-')
        plt.plot(X.transpose(), Y.transpose(), 'k-')

    @staticmethod
    def _truncate(n, decimals=0):
        multiplier = 10 ** decimals
        return int(n * multiplier) / multiplier

    def plot(self):
        nStates = self.nStates
        nRows = self.nRows
        nCols = self.nCols
        self._plot_world()
        states = range(1, nStates + 1)
        k = 0
        for i in range(nCols):
            for j in range(nRows, 0, -1):
                plt.text(i + 0.5, j - 0.5, str(states[k]), fontsize=26, horizontalalignment='center', verticalalignment='center')
                k += 1
        plt.title('MDP gridworld', size=16)
        plt.axis("equal")
        plt.axis("off")
        plt.show()

    def plot_value(self, valueFunction):

        nRows = self.nRows
        nCols = self.nCols
        stateObstacles = self.stateObstacles
        self._plot_world()
        k = 0
        for i in range(nCols):
            for j in range(nRows, 0, -1):
                if k + 1 not in stateObstacles:
                    plt.text(i + 0.5, j - 0.5, str(self._truncate(valueFunction[k], 3)), fontsize=26, horizontalalignment='center', verticalalignment='center')
                k += 1
        plt.title('MDP gridworld', size=16)
        plt.axis("equal")
        plt.axis("off")
        plt.show()

    def plot_policy(self, policy):

        nStates = self.nStates
        nActions = self.nActions
        nRows = self.nRows
        nCols = self.nCols
        stateObstacles = self.stateObstacles
        stateTerminals = self.stateTerminals
        policy = policy.reshape(nRows, nCols, order="F").reshape(-1, 1)
        X, Y = np.meshgrid(range(nCols + 1), range(nRows + 1))
        X1 = X[:-1, :-1]
        Y1 = Y[:-1, :-1]
        X2 = X1.reshape(-1, 1) + 0.5
        Y2 = np.flip(Y1.reshape(-1, 1)) + 0.5
        X2 = np.kron(np.ones((1, nActions)), X2)
        Y2 = np.kron(np.ones((1, nActions)), Y2)
        mat = np.cumsum(np.ones((nStates, nActions)), axis=1).astype("int64")
        if policy.shape[1] == 1:
            policy = (np.kron(np.ones((1, nActions)), policy) == mat)
        index_no_policy = stateObstacles + stateTerminals
        index_policy = [item - 1 for item in range(1, nStates + 1) if item not in index_no_policy]
        mask = policy.astype("int64") * mat
        mask = mask.reshape(nRows, nCols, nCols)
        X3 = X2.reshape(nRows, nCols, nActions)
        Y3 = Y2.reshape(nRows, nCols, nActions)
        alpha = np.pi - np.pi / 2 * mask
        self._plot_world()
        for ii in index_policy:
            ax = plt.gca()
            j = int(ii / nRows)
            i = (ii + 1 - j * nRows) % nCols - 1
            index = np.where(mask[i, j] > 0)[0]
            h = ax.quiver(X3[i, j, index], Y3[i, j, index], np.cos(alpha[i, j, index]), np.sin(alpha[i, j, index]), 0.3)
        states = range(1, nStates + 1)
        k = 0
        for i in range(nCols):
            for j in range(nRows, 0, -1):
                plt.text(i + 0.25, j - 0.25, str(states[k]), fontsize=16, horizontalalignment='right', verticalalignment='bottom')
                k += 1
        plt.axis("equal")
        plt.axis("off")
        plt.show()

主程度：

from World import World
import numpy as np
import pandas as pd
import copy


def construct_p(world, p=0.8, step=-0.04):

    nstates = world.get_nstates()
    nrows = world.get_nrows()
    obsacle_index = world.get_stateobstacles()
    terminal_index = world.get_stateterminals()
    bad_index = obsacle_index + terminal_index
    rewards = np.array([step] * 4 + [0] + [step] * 4 + [1, -1] + [step])
    actions = ["N", "S", "E", "W"]
    transition_models = {}
    for action in actions:
        transition_model = np.zeros((nstates, nstates))
        for i in range(1, nstates + 1):
            if i not in bad_index:
                if action == "N":
                    if i + nrows <= nstates and (i + nrows) not in obsacle_index:
                        transition_model[i - 1][i + nrows - 1] += (1 - p) / 2
                    else:
                        transition_model[i - 1][i - 1] += (1 - p) / 2
                    if 0 < i - nrows <= nstates and (i - nrows) not in obsacle_index:
                        transition_model[i - 1][i - nrows - 1] += (1 - p) / 2
                    else:
                        transition_model[i - 1][i - 1] += (1 - p) / 2
                    if (i - 1) % nrows > 0 and (i - 1) not in obsacle_index:
                        transition_model[i - 1][i - 1 - 1] += p
                    else:
                        transition_model[i - 1][i - 1] += p
                if action == "S":
                    if i + nrows <= nstates and (i + nrows) not in obsacle_index:
                        transition_model[i - 1][i + nrows - 1] += (1 - p) / 2
                    else:
                        transition_model[i - 1][i - 1] += (1 - p) / 2
                    if 0 < i - nrows <= nstates and (i - nrows) not in obsacle_index:
                        transition_model[i - 1][i - nrows - 1] += (1 - p) / 2
                    else:
                        transition_model[i - 1][i - 1] += (1 - p) / 2
                    if 0 < i % nrows and (i + 1) not in obsacle_index and (i + 1) <= nstates:
                        transition_model[i - 1][i + 1 - 1] += p
                    else:
                        transition_model[i - 1][i - 1] += p
                if action == "E":
                    if i + nrows <= nstates and (i + nrows) not in obsacle_index:
                        transition_model[i - 1][i + nrows - 1] += p
                    else:
                        transition_model[i - 1][i - 1] += p
                    if 0 < i % nrows and (i + 1) not in obsacle_index and (i + 1) <= nstates:
                        transition_model[i - 1][i + 1 - 1] += (1 - p) / 2
                    else:
                        transition_model[i - 1][i - 1] += (1 - p) / 2
                    if (i - 1) % nrows > 0 and (i - 1) not in obsacle_index:
                        transition_model[i - 1][i - 1 - 1] += (1 - p) / 2
                    else:
                        transition_model[i - 1][i - 1] += (1 - p) / 2
                if action == "W":
                    if 0 < i - nrows <= nstates and (i - nrows) not in obsacle_index:
                        transition_model[i - 1][i - nrows - 1] += p
                    else:
                        transition_model[i - 1][i - 1] += p
                    if 0 < i % nrows and (i + 1) not in obsacle_index and (i + 1) <= nstates:
                        transition_model[i - 1][i + 1 - 1] += (1 - p) / 2
                    else:
                        transition_model[i - 1][i - 1] += (1 - p) / 2
                    if (i - 1) % nrows > 0 and (i - 1) not in obsacle_index:
                        transition_model[i - 1][i - 1 - 1] += (1 - p) / 2
                    else:
                        transition_model[i - 1][i - 1] += (1 - p) / 2
            elif i in terminal_index:
                transition_model[i - 1][i - 1] = 1
        transition_models[action] = pd.DataFrame(transition_model, index=range(1, nstates + 1), columns=range(1, nstates + 1))

    return transition_models, rewards


def max_action(transition_models, rewards, gamma, s, V, actions, terminal_ind):

    maxs = {key: 0 for key in actions}
    max_a = ""
    action_map = {k: v for k, v in zip(actions, [1, 3, 2, 4])}
    for action in actions:
        if s not in terminal_ind:
            maxs[action] += rewards[s - 1] + gamma * np.dot(transition_models[action].loc[s, :].values, V)
        else:
            maxs[action] = rewards[s - 1]
    maxi = -10 ** 10
    for key in maxs:
        if maxs[key] > maxi:
            max_a = key
            maxi = maxs[key]
    return maxi, action_map[max_a]


def value_iteration(world, transition_models, rewards, gamma=1.0, theta=10 ** -4):

    nstates = world.get_nstates()
    terminal_ind = world.get_stateterminals()
    V = np.zeros((nstates, ))
    P = np.zeros((nstates, 1))
    actions = ["N", "S", "E", "W"]
    delta = theta + 1
    while delta > theta:
        delta = 0
        v = copy.deepcopy(V)
        for s in range(1, nstates + 1):
            V[s - 1], P[s - 1] = max_action(transition_models, rewards, gamma, s, v, actions, terminal_ind)
            delta = max(delta, np.abs(v[s - 1] - V[s - 1]))
    return V, P


def policy_iter(policy, world, transition_models, rewards, gamma=0.9, theta=10 ** -4):

    nstates = world.get_nstates()
    terminal_ind = world.get_stateterminals()

    V = np.zeros((nstates,))
    a = ["N", "S", "E", "W"]
    while True:
        delta = 0

        for s in range(nstates):
            v = 0
 
            for action, action_prob in enumerate(policy[s]):
                action = a[action]

                if s not in terminal_ind:
                    v += rewards[s - 1] + action_prob * gamma * np.dot(transition_models[action].loc[s, :].values, V)
                else:
                    v = rewards[s - 1]
            delta = max(delta, np.abs(v - V[s]))
            V[s] = v
            print (V[s])
        if delta < theta:
            break
    return np.array(V)