Complex Number Operations

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Questions and Answers

Match the type of bond with its description.

Sigma ($\sigma$) bond = Bond formed by head-to-head overlap of atomic orbitals. Pi ($\pi$) bond = Bond formed by sideways or lateral overlap of atomic orbitals.

Match the following terms related to bond formation.

Bond length = Distance between two nuclei. Bond energy = Energy required to break a bond.

Match the type of atomic orbital with its shape.

s orbital = Spherical. p orbital = Dumbbell-shaped.

Match the molecule with the type of orbital overlap.

<p>H₂ = 1s-1s orbital overlap. F₂ = 2p-2p orbital overlap.</p>
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Match the following orbital overlaps and their resulting bonds.

<p>s-s overlap = Sigma bond p-p overlap (end-on) = Sigma bond</p>
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Match the following terms with their definitions.

<p>Overlap of orbitals = Region between nuclei with higher electron density. Bond formation = Attraction between the electron-nucleus.</p>
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Match the bond with the description of electron density.

<p>Sigma ($\sigma$) bond = Electron density lies along the bond axis. Pi ($\pi$) bond = Electron density lies sideways to the bond axis.</p>
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Match the types of bonds with their strength.

<p>Sigma ($\sigma$) bond = Stronger bond due to greater overlap. Pi ($\pi$) bond = Weaker bond due to less overlap.</p>
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Match the concepts related to chemical bonds.

<p>Bond strength = Determined by the attraction of nuclei for shared electrons. Orbital overlap = Leads to greater stability.</p>
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Match the molecules with their bond type.

<p>Cl₂ = Sigma bond. HCl = Sigma bond.</p>
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Flashcards

Sigma bond (σ)

Overlap of two atomic orbitals to build up electron density along the axis between two nuclei.

Pi-bond (π)

The interaction of atomic orbitals oriented in a parallel fashion

Bond strength

Attraction of nuclei for shared electrons and the internuclear distance.

Study Notes

Definition of Complex Numbers

  • A complex number combines a real number and an imaginary number.
  • It is in the form z = a + bi, where a is the real part, b is the imaginary part, and i = √-1.
  • Example: For z = 3 + 2i, the real part is 3, and the imaginary part is 2.

Operations with Complex Numbers

Addition

  • To add complex numbers, add real parts, and imaginary parts separately: (a + bi) + (c + di) = (a + c) + (b + d)i
  • Example: (3 + 2i) + (1 - i) = 4 + i

Subtraction

  • To subtract complex numbers, subtract real parts and imaginary parts separately: (a + bi) - (c + di) = (a - c) + (b - d)i
  • Example: (3 + 2i) - (1 - i) = 2 + 3i

Multiplication

  • To multiply complex numbers, use the distributive property and i² = -1: (a + bi)(c + di) = (ac - bd) + (ad + bc)i
  • Example: (3 + 2i)(1 - i) = 5 - i

Division

  • To divide, multiply the numerator and denominator by the conjugate of the denominator: (a + bi)/(c + di) = ((ac + bd) + (bc - ad)i) / (c² + d²)
  • Example: (3 + 2i) / (1 - i) = (1/2) + (5/2)i

Complex Conjugate

  • The complex conjugate of z = a + bi is denoted as z̄ and defined as z̄ = a - bi.
  • z + z̄ = 2Re(z) = 2a, twice the real part of z.
  • z - z̄ = 2iIm(z) = 2bi, twice the imaginary part of z.
  • z * z̄ = a² + b², which is a real number.
  • Example: If z = 3 + 2i, then z̄ = 3 - 2i.

Modulus of a Complex Number

  • The modulus |z| of z = a + bi is the distance from the origin to the point (a, b) in the complex plane: |z| = √(a² + b²)
  • |z| ≥ 0 for all complex numbers z.
  • |z| = |z̄|.
  • |z₁ * z₂| = |z₁| * |z₂|.
  • |z₁ / z₂| = |z₁| / |z₂|.
  • Example: If z = 3 + 4i, then |z| = 5.

Argument of a Complex Number

  • The argument arg(z) of z = a + bi is the angle between the positive real axis and the line connecting the origin to (a, b).
  • θ = arg(z) = arctan(b/a).
  • The principal argument Arg(z) lies in the interval (-π, π].
  • Example: For z = 1 + i, θ = arctan(1/1) = π/4.

Polar Form of Complex Numbers

  • A complex number z = a + bi can be represented as z = r(cosθ + isinθ), where r = |z| and θ = arg(z).
  • Using Euler's formula, z = re^(iθ).
  • Example: For z = 1 + i, r = √2 and θ = π/4, so z = √2(cos(π/4) + isin(π/4)) = √2e^(iπ/4).

De Moivre's Theorem

  • For z = r(cosθ + isinθ) and any integer n, z^n = r^n(cos(nθ) + isin(nθ)).
  • Or, using the exponential form: (re^(iθ))^n = r^n e^(inθ).
  • Example: To find (1 + i)^4:
    • 1 + i = √2e^(iπ/4).
    • (1 + i)^4 = (√2)^4 e^(i(π/4)*4) = 4e^(iπ) = -4.

Linear Classification lab

Introduction

  • Implement and train a linear classifier for image classification.
  • Implement a Softmax classifier.
  • Train and validate implementation on a dataset.
  • Understand the effect of hyperparameters.

Datasets

  • Use the Cifar-10 dataset.
    • 60,000 32x32 color images in 10 classes.
    • 6,000 images per class.
    • 50,000 training images and 10,000 test images.

Softmax Classifier

Tab and Gradient Function
  • Implement the vectorized version of the Softmax loss function and its gradient.
  • Complete the implementation of the functions softmax_loss_naive and softmax_loss_vectorized in the file softmax.py.
  • Avoid using for-loops.
  • Check implementation with numerical gradient.
Test Implementation
  • To test implementaion:
python test.py softmax

Training the Softmax Classifier

Training Function
  • Implement the train function in the file linear_classifier.py.
Prediction Function
  • Implement the predict function in the file linear_classifier.py.
Test Implementation
  • To test implementaion:
python test.py linear_classifier

Experiments

Load Cifar-10 Dataset
import numpy as np
from utils import get_CIFAR10_data
from linear_classifier import Softmax

## Load CIFAR-10 dataset
cifar10_dir = 'datasets/cifar-10-batches-py'
X_train, y_train, X_test, y_test = get_CIFAR10_data(cifar10_dir)

## Print the dimensions of the training and test data
print('Training data form: ', X_train.shape)
print('Training labels form: ', y_train.shape)
print('Test data form: ', X_test.shape)
print('Test labels form: ', y_test.shape)
Train the Softmax Classifier
## Create a Softmax classifier
softmax = Softmax()

## Train the Softmax classifier on the training data
loss_history = softmax.train(X_train, y_train, learning_rate=1e-7, reg=2.5e4, num_iters=1500)

## Predict labels for training data and calculate training accuracy
y_train_pred = softmax.predict(X_train)
training_accuracy = np.mean(y_train == y_train_pred)
print('Training accuracy: ', training_accuracy)

## Predict labels for test data and calculate test accuracy
y_test_pred = softmax.predict(X_test)
test_accuracy = np.mean(y_test == y_test_pred)
print('Test accuracy: ', test_accuracy)
Hyperparameter Tuning
  • Use cross-validation to tune the hyperparameters (learning rate and regularization strength).
  • For each combination of hyperparameters, train the Softmax classifier on the training data and evaluate its performance on the validation data.
  • Select the combination of hyperparameters that gives the best performance on the validation data.
    • Use np.random.choice to generate random subsets of the training data for validation.
    • Save the results of the cross-validation in a dictionary.
    • Plot the validation accuracy as a function of the hyperparameters.

Assignment

  • File submission:
    • Completed softmax.py and linear_classifier.py files.
  • Report:
    • A report, describing your experiments and results.
    • A description of your implementation of the Softmax classifier.
    • A description of your training procedure.
    • A discussion of the effect of hyperparameters.
    • A description of your cross-validation results.
    • An analysis of your results.

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