FANUEL OMONDI BSCCS/2022/51411

SCIENTIFIC COMPUTING CAT

QUESTION ONE

a)Briefly describe the following terms

a. High Performance Computing (HPC)

High Performance Computing (HPC) refers to the practice of using supercomputers and parallel
processing techniques to solve complex computational problems. HPC systems combine the power
of multiple processors to execute simultaneous computations at high speeds, which is essential for
tasks that require substantial processing power and memory. These systems are commonly used in
scientific research, weather forecasting, financial modeling, and other fields where large-scale data
processing and analysis are necessary.

b. Artificial Intelligence (AI)

Artificial Intelligence (AI) is the branch of computer science focused on creating systems capable of
performing tasks that typically require human intelligence. These tasks include learning, reasoning,
problem-solving, perception, language understanding, and decision-making. AI systems are built
using various approaches, such as machine learning, neural networks, and expert systems, to mimic
cognitive functions. AI has applications in numerous fields, including healthcare, robotics, finance,
and customer service. [5 marks]

c. Blockchain

Blockchain is a decentralized digital ledger technology that records transactions across multiple
computers in such a way that the registered transactions cannot be altered retroactively. Each
transaction or record is stored in a block, and these blocks are linked in a chronological chain.
Blockchain ensures transparency, security, and immutability, making it suitable for applications like
cryptocurrencies (e.g., Bitcoin), supply chain management, and secure voting systems. [5 marks]

b) Explain the following as used in a programming Language

i. Procedure Call

A procedure call is a programming statement that invokes a procedure or a subroutine to perform a

specific task. In procedural programming languages, a procedure is a set of instructions that
performs a particular operation. The procedure call transfers control to the procedure, executes its
instructions, and then returns control to the point immediately following the procedure call.
Procedure calls help in modularizing code, making it more readable and reusable.

ii. Function Statement

A function statement is a declaration of a function in a programming language. A function is a

reusable block of code that performs a specific task and can return a value. The function statement
typically includes the function's name, parameters, return type, and the body containing the
executable code. Functions enhance code modularity, facilitate code reuse, and simplify debugging
and maintenance.

c) CRoss Industry Standard Process for Data Mining (CRISP-DM) Model

The CRISP-DM model is a widely used methodology for data mining and analytics. It consists of
six phases, represented in a circular diagram to indicate the iterative nature of the process:

1. Business Understanding: Define objectives and requirements from a business perspective.

2. Data Understanding: Collect initial data and explore its properties.
3. Data Preparation: Clean and prepare data for modeling.
4. Modeling: Apply data mining techniques to build models.
5. Evaluation: Assess the models to ensure they meet business objectives.
6. Deployment: Implement the models in practical applications.

d) Circumference of a Circle Program

Here's an example program in Python to calculate the circumference of a circle:

python
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import math

def calculate_circumference(radius):
return 2 * math.pi * radius

radius = float(input("Enter the radius of the circle: "))

circumference = calculate_circumference(radius)
print(f"The circumference of the circle is: {circumference}")
e) Scientific Computing in Various Disciplines

Scientific computing involves the use of computational methods and software tools to solve
scientific problems. It is used in various scientific disciplines to:

• Physics: Simulate physical phenomena, such as particle collisions or celestial mechanics.

• Chemistry: Model molecular structures and reactions, predict chemical properties.
• Biology: Analyze genetic sequences, simulate biological systems, study the spread of
diseases.

These simulations and analyses help scientists conduct experiments, validate theories, and make
predictions without the need for physical experimentation, saving time and resources. [10 marks]

f) Quantum Computing and Its Importance

Quantum computing is a type of computation that leverages the principles of quantum mechanics to
process information. Unlike classical computers, which use bits to represent data as 0s or 1s,
quantum computers use quantum bits or qubits, which can exist in multiple states simultaneously
(superposition). This capability allows quantum computers to solve certain problems much faster
than classical computers.

Importance in Scientific Computing:

• Cryptography: Quantum computers can break traditional encryption algorithms, leading to

advancements in cryptography.
• Material Science: Simulate the properties of materials at the atomic level, leading to the
discovery of new materials.

Application Areas:

1. Drug Discovery: Simulate molecular interactions to discover new drugs.

2. Optimization Problems: Solve complex optimization problems in logistics, finance, and
other fields.
QUESTION 2

A. Features that Make a Problem Solvable by Computational Methods

1. Definability: The problem must be clearly defined with specific inputs and desired outputs.
2. Finite Steps: The solution can be achieved through a finite number of well-defined steps or
procedures.
3. Computability: The problem must be within the scope of what a computer can process,
given current technology and algorithms.
4. Measurable Inputs/Outputs: The inputs and outputs of the problem must be quantifiable
and representable in a digital format.
5. Data Availability: Sufficient data must be available to process and analyze to reach a
solution.
6. Feasibility: The computational resources required to solve the problem (time, memory, etc.)
must be within practical limits.
7. Repeatability: The problem-solving process should produce consistent and repeatable
results when given the same inputs.
8. Scalability: The problem should allow for the computational solution to be scaled up or
down based on available resources.
9. Non-ambiguity: The steps to solve the problem should be unambiguous and precise.
10.Correctness: There must be a clear way to determine if the solution is correct or acceptable.

B. Good Properties of an Algorithm

1. Correctness: An algorithm should correctly solve the problem for all valid inputs.
2. Efficiency: An algorithm should make optimal use of computational resources such as time
and space.
3. Clarity: The steps of an algorithm should be clearly and unambiguously defined.
4. Finiteness: An algorithm must terminate after a finite number of steps.
5. Input: An algorithm should accept zero or more inputs.
6. Output: An algorithm should produce at least one output.
7. Determinism: The same input should always produce the same output.
8. Modularity: An algorithm should be divided into smaller, manageable sub-procedures or
modules.
9. Robustness: An algorithm should handle errors and unexpected situations gracefully.
 10.Scalability: An algorithm should maintain its efficiency and correctness as the size of the
input grows.

[10 marks]

C. Programming Languages and Software Tools in Scientific Computing

1. Python: Widely used for its simplicity and extensive libraries (NumPy, SciPy, pandas,
Matplotlib).
2. R: Popular for statistical analysis and data visualization (dplyr, ggplot2, tidyr).
3. MATLAB: High-level language and interactive environment for numerical computation,
visualization, and programming.
4. C/C++: Used for performance-critical applications and simulations requiring low-level
memory management.
5. Fortran: Traditional language for high-performance computing in scientific applications,
especially in physics and engineering.
6. Julia: Designed for high-performance numerical analysis and computational science.
7. HPC Tools: Tools like MPI (Message Passing Interface) and OpenMP for parallel
processing.
8. Software Libraries: Libraries such as TensorFlow and PyTorch for machine learning and
artificial intelligence applications.
9. Visualization Tools: Software like Paraview and VisIt for visualizing scientific data.
10.Cloud Computing Platforms: Services like AWS, Google Cloud, and Microsoft Azure for
scalable computational resources.

D. Program in Python for Data Structures

I. Arrays

python
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import array as arr

# Creating an array of integers

numbers = arr.array('i', [1, 2, 3, 4, 5])

# Accessing elements
print("Array elements:", numbers)

# Modifying elements
numbers[0] = 10
print("Modified array elements:", numbers)

II. Matrices

python
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import numpy as np

# Creating a 3x3 matrix

matrix = np.array([[1, 2, 3], [4, 5, 6], [7, 8, 9]])

# Accessing elements
print("Matrix elements:")
print(matrix)

# Modifying elements
matrix[0, 0] = 10
print("Modified matrix elements:")
print(matrix)

III. Lists

python
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# Creating a list
my_list = [1, 2, 3, 4, 5]

# Accessing elements
print("List elements:", my_list)
# Modifying elements
my_list[0] = 10
print("Modified list elements:", my_list)

IV. Dataframes

python
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import pandas as pd

# Creating a DataFrame
data = {
'Name': ['Alice', 'Bob', 'Charlie'],
'Age': [25, 30, 35],
'City': ['New York', 'Los Angeles', 'Chicago']
}
df = pd.DataFrame(data)

# Accessing elements
print("DataFrame elements:")
print(df)

# Modifying elements
df.at[0, 'Age'] = 26
print("Modified DataFrame elements:")
print(df)

Question Three

a) Initialize and Store Experiment Data

Here's a Python program to initialize and store experiment data using appropriate data types.
python
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import pandas as pd
from datetime import datetime

# Sample data
data = {
'Experiment_ID': [1, 1, 1, 2, 2, 2, 3, 3, 3],
'Timestamp': [
'2023-07-01 10:00:00', '2023-07-01 10:30:00', '2023-07-01 11:00:00',
'2023-07-02 09:00:00', '2023-07-02 09:30:00', '2023-07-02 10:00:00',
'2023-07-03 08:00:00', '2023-07-03 08:30:00', '2023-07-03 09:00:00'
],
'Measurement': [10.2, 10.5, 10.3, 20.1, 19.8, 20.4, 30.5, 30.2, 30.7]
}

# Convert timestamps to datetime objects

data['Timestamp'] = pd.to_datetime(data['Timestamp'])

# Create DataFrame
df = pd.DataFrame(data)

print("Experiment Data:")
print(df)

b) Declare and Initialize Subscripted Variables

Using arrays (lists in Python) to handle multiple measurements for each experiment:

python
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# Sample data using lists
experiment_data = {
'Experiment_ID': [1, 2, 3],
'Measurements': [
 [10.2, 10.5, 10.3], # Measurements for Experiment 1
[20.1, 19.8, 20.4], # Measurements for Experiment 2
[30.5, 30.2, 30.7] # Measurements for Experiment 3
]
}

print("Subscripted Variables:")
print(experiment_data)

c) Function to Calculate Mean and Standard Deviation

python
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import numpy as np

def calculate_statistics(measurements):
mean = np.mean(measurements)
std_dev = np.std(measurements)
return mean, std_dev

# Calculate statistics for each experiment

for experiment_id, measurements in zip(experiment_data['Experiment_ID'],
experiment_data['Measurements']):
mean, std_dev = calculate_statistics(measurements)
print(f"Experiment {experiment_id}: Mean = {mean:.2f}, Standard Deviation = {std_dev:.2f}")

d) Subroutine to Identify Outliers

python
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def identify_outliers(measurements, lower_bound, upper_bound):
outliers = [m for m in measurements if m < lower_bound or m > upper_bound]
return outliers
# Define the range
lower_bound = 15
upper_bound = 25

# Identify outliers for each experiment

for experiment_id, measurements in zip(experiment_data['Experiment_ID'],
experiment_data['Measurements']):
outliers = identify_outliers(measurements, lower_bound, upper_bound)
print(f"Experiment {experiment_id}: Outliers = {outliers}")

[10 marks]

Question Four

a) Bar Graph for Student Scores

python
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import matplotlib.pyplot as plt

# Student scores
scores = [75, 53, 90, 87, 50, 85, 92, 75, 60, 95]

# Bar graph
plt.bar(range(1, 11), scores)
plt.xlabel('Student')
plt.ylabel('Score')
plt.title('Student Scores')
plt.show()

b) Sequence Representation

python
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# Sum of sequence ∑(r + 5) from r = 0 to 1000
sequence_sum = sum(r + 5 for r in range(1001))
print(f"Sum of the sequence: {sequence_sum}")

c) Area Under the Curve

python
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from scipy.integrate import quad

# Function to integrate
def f(x):
return x**3 + 2*x + 5

# Calculate area
area, _ = quad(f, 1, 2)
print(f"Area under the curve between x=1 and x=2: {area:.2f}")

d) Syntax of if and while Statements

python
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# if statement
x = 10
if x > 5:
print("x is greater than 5")
else:
print("x is not greater than 5")

# while statement
i=1
while i <= 5:
print(f"i = {i}")
i += 1
Question Five

b) Definitions

i. Scientific Computing
Scientific computing is the application of computational techniques and software tools to solve
complex scientific and engineering problems. It involves numerical simulations, mathematical
modeling, and data analysis to understand and predict phenomena in various scientific disciplines.

ii. Mathematical Modeling

Mathematical modeling is the process of representing real-world systems and phenomena using
mathematical equations and concepts. These models are used to simulate, analyze, and predict
behaviors and outcomes in fields such as physics, biology, economics, and engineering. [5 marks]

iii. Effective Procedure

An effective procedure, also known as an algorithm, is a finite set of well-defined steps or
instructions for solving a problem or performing a task. It should be clear, unambiguous, and able to
produce a correct and predictable outcome for all valid inputs.

c) Solving Quadratic Equation

python
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import math

# Coefficients of the equation

a=2
b = -6
c = -3

# Calculate the discriminant

D = b**2 - 4*a*c

# Calculate the roots

root1 = (-b + math.sqrt(D)) / (2*a)
root2 = (-b - math.sqrt(D)) / (2*a)
print(f"The roots of the equation 2x^2 - 6x - 3 = 0 are {root1:.2f} and {root2:.2f}")

d) Common Features of All Programming Languages

1. Syntax: The set of rules that define the structure and format of valid statements.
2. Variables: Storage locations with a name that hold data values.
3. Control Structures: Constructs like loops and conditionals to control the flow of execution.
4. Data Types: Various types of data that can be manipulated, such as integers, floats, strings,
and booleans.
5. Functions/Procedures: Reusable blocks of code that perform specific tasks.
6. Input/Output: Mechanisms for reading data from and writing data to external sources.
7. Error Handling: Methods to handle errors and exceptions during program execution.
8. Comments: Annotations in the code for documentation purposes.
9. Operators: Symbols that perform operations on variables and values.
10.Libraries/Modules: Collections of pre-written code that can be included to add
functionality.

e) High-Level vs. Low-Level Programming Languages

High-Level Programming Language:

• Abstract: Closer to human language and abstract from machine language.

• Ease of Use: Easier to read, write, and maintain.
• Portability: Can run on different types of computer systems with minimal modifications.
• Examples: Python, Java, C++.

Low-Level Programming Language:

• Machine-Oriented: Closer to machine language and provides more control over hardware.
• Performance: Generally faster and more efficient due to direct hardware manipulation.
• Complexity: More difficult to read, write, and maintain.
• Examples: Assembly language, machine code.

Python is a high-level programming language because it abstracts away the details of the computer
hardware, provides a simple syntax, and includes high-level data structures, which makes it easy to
use and highly portable across different platforms.