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Modify my data into tensorflow

INTRODUCTION

My main code is writen in fortron, so the output data are all .dat files. What I want to do is modify these .dat files into tensorflow format, which can be used and analysised in python!

Origincal output.dat file

Here's the contents of the output.dat file, which is the total energy of the many-body system. image

codes

Below is my code that can translate input.dat into tensorflow:

import numpy as np
import tensorflow as tf

import matplotlib
matplotlib.use('TkAgg')  # Set the backend

import matplotlib.pyplot as plt

# Your plotting code here


# Step 1: Read the .dat file
data = np.loadtxt('input.dat')

# Step 2: Preprocess the data if needed
# For example, you might need to split your data into input features and labels

# Assuming your data has input features in the first columns and labels in the last column
X = data[:, :-1]  # Input features
y = data[:, -1]   # Labels

# Normalize the input features if needed
# X = (X - np.mean(X, axis=0)) / np.std(X, axis=0)

# Step 3: Use TensorFlow
# Here's a simple example of building a neural network using TensorFlow
model = tf.keras.Sequential([
    tf.keras.layers.Dense(64, activation='relu', input_shape=(X.shape[1],)),
    tf.keras.layers.Dense(32, activation='relu'),
    tf.keras.layers.Dense(1)  # Assuming you have a regression task with one output
])

model.compile(optimizer='adam', loss='mse', metrics=['mae'])

# Train the model
model.fit(X, y, epochs=10, validation_split=0.2)

# Evaluate the model
loss, mae = model.evaluate(X, y)
print("Test Loss:", loss)
print("Test MAE:", mae)

# Make predictions
predictions = model.predict(X)


import numpy as np
import matplotlib.pyplot as plt

# Assuming you have some data loaded and preprocessed
# For example, X and y as input features and labels

# Plotting the data
plt.figure(figsize=(8, 6))
plt.scatter(X, y, color='blue', label='Data points')
plt.xlabel('Input features')
plt.ylabel('Labels')
plt.title('Data Distribution')
plt.legend()
plt.grid(True)
plt.show()

plt.savefig('plot.png')

And the last section of this code, it plot the tensorflow: image while below is the orinal data format plotted by xmgrace: image

Next Step

Since I already successfully modify my data into tensorflow and plot it, what I want to do next is to analysis the other output data from main code; I would need to do Wigner-grid transform and Ftransform on the data, which is in tensorflow format.