Python Data Structures for Machine Learning: Lists, Dicts, Sets Tutorial
Master Python data structures for data science and ML. Learn lists, dictionaries, tuples, and sets with practical examples for feature engineering, data preprocessing, and model building

When Data Structures Became My Superpower
I still remember my first machine learning projectโa simple house price predictor. I stored everything in separate variables:
house1_size = 1500
house1_bedrooms = 3
house1_price = 300000
house2_size = 2000
house2_bedrooms = 4
house2_price = 450000
# ... and 98 more houses with 98 * 3 = 294 variables! ๐ฑ
Writing house98_bedrooms made me realize I was doing something very wrong. That's when my mentor introduced me to Python's built-in data structures:
houses = [
{"size": 1500, "bedrooms": 3, "price": 300000},
{"size": 2000, "bedrooms": 4, "price": 450000},
# ... 98 more houses in a clean, manageable structure!
]
Game. Changed. ๐ฎ
Data structures are the containers that hold your data. Choosing the right one can make your machine learning code 10x cleaner and faster. In this beginner-friendly guide, I'll show you Python's essential data structures with practical ML examples.
Why Data Structures Matter in Machine Learning
Before diving into code, let's understand why choosing the right data structure matters.
The Right Tool for the Job
Think of data structures like kitchen containers:
- Lists = Bowls (ordered items you can modify)
- Tuples = Sealed containers (ordered items you can't modify)
- Sets = Ingredient canisters (unique items, no duplicates)
- Dictionaries = Labeled jars (key-value pairs for quick lookup)
Using the wrong container makes cooking (coding) harder!
Performance Matters
Different operations have different speeds:
| Operation | List | Set | Dictionary |
|---|---|---|---|
| Access by index | O(1) fast | N/A | N/A |
| Search for item | O(n) slow | O(1) fast | O(1) fast |
| Add item | O(1) fast | O(1) fast | O(1) fast |
| Remove duplicates | O(nยฒ) slow | O(n) fast | N/A |
Real impact: Checking if a value exists in a 10,000-item list? 10,000 operations. In a set? 1 operation. That's a 10,000x speedup!
Lists: Your Swiss Army Knife
Lists are ordered, mutable collections. They're the most versatile data structure in Python.
Creating and Accessing Lists
# Create a list
numbers = [1, 2, 3, 4, 5]
names = ["Alice", "Bob", "Charlie"]
mixed = [1, "hello", 3.14, True] # Can mix types!
# Access by index (0-based)
print(numbers[0]) # 1 (first element)
print(numbers[-1]) # 5 (last element)
# Slicing
print(numbers[1:4]) # [2, 3, 4] (elements 1, 2, 3)
print(numbers[:3]) # [1, 2, 3] (first three)
print(numbers[3:]) # [4, 5] (from index 3 to end)
Essential List Methods
# append() - Add to end
features = []
features.append(0.5)
features.append(0.8)
print(features) # [0.5, 0.8]
# extend() - Add multiple items
features.extend([0.3, 0.9])
print(features) # [0.5, 0.8, 0.3, 0.9]
# insert() - Add at specific position
features.insert(0, 0.1) # Insert 0.1 at index 0
print(features) # [0.1, 0.5, 0.8, 0.3, 0.9]
# remove() - Remove first occurrence
features.remove(0.8)
print(features) # [0.1, 0.5, 0.3, 0.9]
# pop() - Remove and return item
last_feature = features.pop() # Remove last
print(f"Removed: {last_feature}") # 0.9
print(features) # [0.1, 0.5, 0.3]
# index() - Find position of item
position = features.index(0.5)
print(f"0.5 is at index {position}") # 1
# count() - Count occurrences
data = [1, 2, 2, 3, 2, 4]
print(f"Count of 2: {data.count(2)}") # 3
# sort() - Sort in place
scores = [85, 92, 78, 96, 88]
scores.sort()
print(scores) # [78, 85, 88, 92, 96]
# sort with reverse
scores.sort(reverse=True)
print(scores) # [96, 92, 88, 85, 78]
# reverse() - Reverse order
scores.reverse()
print(scores) # [78, 85, 88, 92, 96]
ML Example: Feature Vectors
# Collecting features for a single sample
def extract_features(text):
"""Extract text features for ML."""
features = []
# Feature 1: Length
features.append(len(text))
# Feature 2: Number of words
features.append(len(text.split()))
# Feature 3: Number of capital letters
features.append(sum(1 for c in text if c.isupper()))
# Feature 4: Number of digits
features.append(sum(1 for c in text if c.isdigit()))
return features
# Extract features from texts
texts = [
"Machine Learning is AMAZING!",
"Python 3.11 released in 2023",
"Data Science rocks"
]
# Build feature matrix
X = []
for text in texts:
features = extract_features(text)
X.append(features)
print("Feature matrix:")
for i, features in enumerate(X):
print(f"Text {i+1}: {features}")
# Output:
# Text 1: [28, 4, 9, 0]
# Text 2: [28, 5, 1, 6]
# Text 3: [18, 3, 2, 0]
List Comprehensions: Pythonic List Creation
List comprehensions are a concise way to create lists:
# Traditional approach
squares = []
for x in range(5):
squares.append(x ** 2)
print(squares) # [0, 1, 4, 9, 16]
# List comprehension (one line!)
squares = [x ** 2 for x in range(5)]
print(squares) # [0, 1, 4, 9, 16]
# With condition (filter even numbers)
evens = [x for x in range(10) if x % 2 == 0]
print(evens) # [0, 2, 4, 6, 8]
# Transform and filter
data = [1, -2, 3, -4, 5, -6]
positive_squares = [x ** 2 for x in data if x > 0]
print(positive_squares) # [1, 9, 25]
ML example: Data normalization
# Normalize features to 0-1 range
features = [10, 20, 30, 40, 50]
# Find min and max
min_val = min(features)
max_val = max(features)
range_val = max_val - min_val
# Normalize using list comprehension
normalized = [(x - min_val) / range_val for x in features]
print(f"Original: {features}")
print(f"Normalized: {[round(x, 2) for x in normalized]}")
# Output:
# Original: [10, 20, 30, 40, 50]
# Normalized: [0.0, 0.25, 0.5, 0.75, 1.0]
Nested Lists: Matrices for ML
# 2D list = Matrix
matrix = [
[1, 2, 3],
[4, 5, 6],
[7, 8, 9]
]
# Access elements
print(matrix[0]) # [1, 2, 3] (first row)
print(matrix[1][2]) # 6 (row 1, column 2)
# Iterate through matrix
for row in matrix:
for value in row:
print(value, end=" ")
print() # New line after each row
# ML example: Feature matrix with labels
X = [
[1, 2], # Sample 1 features
[3, 4], # Sample 2 features
[5, 6], # Sample 3 features
]
y = [0, 1, 0] # Labels
print(f"Features: {X}")
print(f"Labels: {y}")
print(f"Dataset size: {len(X)} samples, {len(X[0])} features")
Dictionaries: Fast Key-Value Lookups
Dictionaries store key-value pairs for O(1) lookups. Perfect for ML configurations and feature mappings!
Creating and Accessing Dictionaries
# Create a dictionary
person = {
"name": "Alice",
"age": 25,
"city": "New York"
}
# Access values by key
print(person["name"]) # Alice
print(person["age"]) # 25
# Add new key-value pair
person["profession"] = "Data Scientist"
print(person)
# Update existing value
person["age"] = 26
print(person)
# Safe access with get() (doesn't crash if key missing)
print(person.get("salary", "Not specified")) # Not specified
print(person.get("name", "Unknown")) # Alice
Essential Dictionary Methods
# keys() - Get all keys
config = {"learning_rate": 0.001, "batch_size": 32, "epochs": 100}
print(list(config.keys())) # ['learning_rate', 'batch_size', 'epochs']
# values() - Get all values
print(list(config.values())) # [0.001, 32, 100]
# items() - Get key-value pairs
for key, value in config.items():
print(f"{key}: {value}")
# Output:
# learning_rate: 0.001
# batch_size: 32
# epochs: 100
# pop() - Remove and return value
lr = config.pop("learning_rate")
print(f"Removed learning_rate: {lr}")
print(config) # {'batch_size': 32, 'epochs': 100}
# update() - Merge dictionaries
config.update({"optimizer": "adam", "dropout": 0.5})
print(config)
# setdefault() - Get value or set default if missing
config.setdefault("patience", 10)
print(config) # patience is now 10
ML Example: Model Configuration
class MLModel:
"""ML model with dictionary-based configuration."""
def __init__(self, **config):
"""Initialize with flexible configuration."""
# Default configuration
self.config = {
"learning_rate": 0.001,
"batch_size": 32,
"epochs": 100,
"optimizer": "adam"
}
# Update with user-provided config
self.config.update(config)
def train(self):
"""Train with current configuration."""
print("Training with configuration:")
for key, value in self.config.items():
print(f" {key}: {value}")
# Simulate training
return {"accuracy": 0.85, "loss": 0.15}
# Create models with different configurations
model1 = MLModel(learning_rate=0.01, epochs=50)
results1 = model1.train()
print("\n" + "="*40 + "\n")
model2 = MLModel(batch_size=64, optimizer="sgd")
results2 = model2.train()
ML Example: Feature Mapping
# Map categorical features to numerical values
feature_map = {
"color": {"red": 0, "green": 1, "blue": 2},
"size": {"small": 0, "medium": 1, "large": 2},
"quality": {"low": 0, "medium": 1, "high": 2}
}
# Raw data
raw_data = [
{"color": "red", "size": "large", "quality": "high"},
{"color": "blue", "size": "small", "quality": "medium"},
{"color": "green", "size": "medium", "quality": "low"}
]
# Transform to numerical features
def encode_features(data, feature_map):
"""Encode categorical features to numbers."""
encoded = []
for sample in data:
encoded_sample = []
for feature_name, value in sample.items():
# Look up numerical value
numerical_value = feature_map[feature_name][value]
encoded_sample.append(numerical_value)
encoded.append(encoded_sample)
return encoded
# Encode data
X = encode_features(raw_data, feature_map)
print("Encoded features:")
for i, features in enumerate(X):
print(f"Sample {i+1}: {features}")
# Output:
# Sample 1: [0, 2, 2] # red, large, high
# Sample 2: [2, 0, 1] # blue, small, medium
# Sample 3: [1, 1, 0] # green, medium, low
Dictionary Comprehensions
Like list comprehensions, but for dictionaries:
# Create dictionary from two lists
features = ["age", "income", "education"]
values = [25, 50000, "Bachelor"]
feature_dict = {key: value for key, value in zip(features, values)}
print(feature_dict)
# Output: {'age': 25, 'income': 50000, 'education': 'Bachelor'}
# Filter and transform
scores = {"Alice": 85, "Bob": 92, "Charlie": 78, "David": 95}
# Get only high scores (> 80)
high_scores = {name: score for name, score in scores.items() if score > 80}
print(high_scores)
# Output: {'Alice': 85, 'Bob': 92, 'David': 95}
# Normalize scores to 0-1 range
max_score = max(scores.values())
normalized_scores = {name: score / max_score for name, score in scores.items()}
print({name: round(score, 2) for name, score in normalized_scores.items()})
# Output: {'Alice': 0.89, 'Bob': 0.97, 'Charlie': 0.82, 'David': 1.0}
Sets: Removing Duplicates and Fast Membership
Sets are unordered collections of unique elements. Perfect for removing duplicates and checking membership!
Creating and Using Sets
# Create a set
numbers = {1, 2, 3, 4, 5}
print(numbers) # {1, 2, 3, 4, 5}
# Remove duplicates automatically
duplicates = {1, 2, 2, 3, 3, 3, 4, 4, 4, 4}
print(duplicates) # {1, 2, 3, 4}
# Create from list (removes duplicates)
data = [1, 2, 2, 3, 3, 3, 4]
unique_data = set(data)
print(unique_data) # {1, 2, 3, 4}
# Empty set (can't use {} - that's a dict!)
empty_set = set()
Essential Set Methods
# add() - Add single element
tags = {"python", "ml", "data"}
tags.add("ai")
print(tags) # {'python', 'ml', 'data', 'ai'}
# update() - Add multiple elements
tags.update(["deep-learning", "nlp"])
print(tags)
# remove() - Remove element (error if not found)
tags.remove("data")
print(tags)
# discard() - Remove element (no error if not found)
tags.discard("nonexistent") # No error!
# Fast membership testing (O(1))
print("python" in tags) # True
print("java" in tags) # False
# length
print(f"Number of tags: {len(tags)}")
Set Operations: Mathematical Magic
# Set operations for data analysis
train_ids = {1, 2, 3, 4, 5}
test_ids = {4, 5, 6, 7, 8}
# Union (all unique elements from both sets)
all_ids = train_ids | test_ids
print(f"All IDs: {all_ids}")
# Output: {1, 2, 3, 4, 5, 6, 7, 8}
# Intersection (common elements)
overlap = train_ids & test_ids
print(f"Overlapping IDs: {overlap}")
# Output: {4, 5}
# Difference (in train but not in test)
train_only = train_ids - test_ids
print(f"Train only: {train_only}")
# Output: {1, 2, 3}
# Symmetric difference (in either but not both)
exclusive = train_ids ^ test_ids
print(f"Exclusive to each: {exclusive}")
# Output: {1, 2, 3, 6, 7, 8}
# Check if subset/superset
small_set = {1, 2}
print(f"Is {small_set} subset of train? {small_set.issubset(train_ids)}") # True
# Check if disjoint (no common elements)
set1 = {1, 2, 3}
set2 = {4, 5, 6}
print(f"Are sets disjoint? {set1.isdisjoint(set2)}") # True
ML Example: Removing Duplicate Samples
# Data with duplicate samples
data = [
(1, 2, 0),
(3, 4, 1),
(1, 2, 0), # Duplicate!
(5, 6, 0),
(3, 4, 1), # Duplicate!
]
print(f"Original data: {len(data)} samples")
# Remove duplicates using set
unique_data = list(set(data))
print(f"After removing duplicates: {len(unique_data)} samples")
print(unique_data)
# Output:
# Original data: 5 samples
# After removing duplicates: 3 samples
# [(1, 2, 0), (3, 4, 1), (5, 6, 0)]
ML Example: Feature Selection
# Different feature sets from different models
model1_features = {"age", "income", "education", "experience"}
model2_features = {"age", "income", "location", "skills"}
model3_features = {"age", "education", "skills", "certifications"}
# Find common features across all models
common_features = model1_features & model2_features & model3_features
print(f"Common features: {common_features}")
# Output: {'age'}
# Find all unique features
all_features = model1_features | model2_features | model3_features
print(f"All features: {all_features}")
# Features in model1 but not in others
model1_unique = model1_features - (model2_features | model3_features)
print(f"Unique to model1: {model1_unique}")
# Output: {'experience'}
Tuples: Immutable Sequences
Tuples are like lists but immutable (can't be changed). Use them for data that shouldn't change!
Creating and Accessing Tuples
# Create a tuple
coordinates = (3, 4)
rgb_color = (255, 128, 0)
# Single-element tuple (note the comma!)
single = (42,)
not_a_tuple = (42) # This is just a number in parentheses!
# Access by index (like lists)
print(coordinates[0]) # 3
print(rgb_color[1]) # 128
# Slicing works too
numbers = (1, 2, 3, 4, 5)
print(numbers[1:4]) # (2, 3, 4)
# Tuples are immutable - can't modify!
try:
coordinates[0] = 5
except TypeError as e:
print(f"Error: {e}") # 'tuple' object does not support item assignment
Tuple Unpacking
# Unpack tuple into variables
point = (3, 4)
x, y = point
print(f"x={x}, y={y}") # x=3, y=4
# Swap variables using tuple unpacking
a, b = 1, 2
a, b = b, a # Swap!
print(f"a={a}, b={b}") # a=2, b=1
# Extended unpacking
numbers = (1, 2, 3, 4, 5)
first, *middle, last = numbers
print(f"First: {first}") # 1
print(f"Middle: {middle}") # [2, 3, 4]
print(f"Last: {last}") # 5
ML Example: Function Returns
Tuples are perfect for returning multiple values:
def train_and_evaluate(X, y):
"""
Train model and return multiple metrics.
Returns:
tuple: (accuracy, precision, recall, f1_score)
"""
# Simulate training
print("Training model...")
# Return multiple values as tuple
return 0.85, 0.83, 0.87, 0.85
# Unpack returned values
accuracy, precision, recall, f1 = train_and_evaluate([], [])
print(f"Accuracy: {accuracy:.1%}")
print(f"Precision: {precision:.1%}")
print(f"Recall: {recall:.1%}")
print(f"F1 Score: {f1:.1%}")
ML Example: Coordinate Systems
# Storing immutable coordinates
data_points = [
(1.5, 2.3, 0), # (x, y, label)
(3.2, 4.1, 1),
(5.7, 6.8, 0),
(2.1, 3.4, 1)
]
# Extract features and labels using unpacking
X = []
y = []
for x_coord, y_coord, label in data_points:
X.append([x_coord, y_coord])
y.append(label)
print(f"Features: {X}")
print(f"Labels: {y}")
Choosing the Right Data Structure
Quick Decision Guide
Use a List when:
- โ You need ordered data
- โ You'll modify the data (add/remove items)
- โ You need duplicate values
- โ Example: Feature vectors, time series data, training samples
Use a Dictionary when:
- โ You need fast lookups by key
- โ You have key-value pairs
- โ You need to store configuration
- โ Example: Model parameters, feature mappings, results storage
Use a Set when:
- โ You need unique values only
- โ You need fast membership testing
- โ You need set operations (union, intersection)
- โ Example: Removing duplicates, finding common features, unique IDs
Use a Tuple when:
- โ Data should be immutable
- โ You're returning multiple values from a function
- โ You need a hashable collection (for dict keys or set elements)
- โ Example: Coordinates, RGB colors, function returns
Performance Comparison
import time
# Setup test data
test_data = list(range(10000))
# List membership (slow for large lists)
test_list = test_data
start = time.time()
5000 in test_list # Check if 5000 is in list
list_time = time.time() - start
# Set membership (fast!)
test_set = set(test_data)
start = time.time()
5000 in test_set # Check if 5000 is in set
set_time = time.time() - start
print(f"List membership: {list_time:.6f} seconds")
print(f"Set membership: {set_time:.6f} seconds")
print(f"Speedup: {list_time / set_time:.0f}x faster!")
Real-World ML Example: Complete Data Pipeline
Let's combine all data structures in a practical ML pipeline:
class DataPipeline:
"""Complete ML data pipeline using all data structures."""
def __init__(self):
# Dictionary for configuration
self.config = {
"batch_size": 32,
"test_split": 0.2,
"random_seed": 42
}
# Lists for data storage
self.raw_data = []
self.processed_data = []
# Set for tracking unique IDs
self.processed_ids = set()
# Dictionary for results
self.results = {}
def load_data(self, data):
"""Load raw data into pipeline."""
print("๐ Loading data...")
self.raw_data = data
print(f"โ
Loaded {len(data)} samples")
def remove_duplicates(self):
"""Remove duplicate samples using set."""
print("\n๐ง Removing duplicates...")
original_count = len(self.raw_data)
# Use set to track seen samples
seen = set()
unique_data = []
for sample in self.raw_data:
# Convert to tuple (hashable) for set
sample_tuple = tuple(sample)
if sample_tuple not in seen:
seen.add(sample_tuple)
unique_data.append(sample)
self.raw_data = unique_data
removed = original_count - len(unique_data)
print(f"โ
Removed {removed} duplicates, {len(unique_data)} samples remain")
def normalize_features(self):
"""Normalize features using list comprehensions."""
print("\n๐ Normalizing features...")
# Assume each sample has [feature1, feature2, label]
features_only = [sample[:2] for sample in self.raw_data]
# Find min and max for each feature
feature1_values = [f[0] for f in features_only]
feature2_values = [f[1] for f in features_only]
# Normalize using list comprehensions
min1, max1 = min(feature1_values), max(feature1_values)
min2, max2 = min(feature2_values), max(feature2_values)
self.processed_data = [
[
(sample[0] - min1) / (max1 - min1), # Normalize feature1
(sample[1] - min2) / (max2 - min2), # Normalize feature2
sample[2] # Keep label unchanged
]
for sample in self.raw_data
]
print(f"โ
Normalized {len(self.processed_data)} samples")
def split_data(self):
"""Split into train and test sets."""
print("\nโ๏ธ Splitting data...")
# Calculate split point
test_size = int(len(self.processed_data) * self.config["test_split"])
split_point = len(self.processed_data) - test_size
# Split using slicing
train_data = self.processed_data[:split_point]
test_data = self.processed_data[split_point:]
print(f"โ
Train: {len(train_data)} samples, Test: {len(test_data)} samples")
# Return as tuple (immutable)
return (train_data, test_data)
def run(self, data):
"""Execute complete pipeline."""
print("="*50)
print("๐ Starting Data Pipeline")
print("="*50)
# Load data (list)
self.load_data(data)
# Remove duplicates (set)
self.remove_duplicates()
# Normalize features (list comprehension)
self.normalize_features()
# Split data (tuple return)
train_data, test_data = self.split_data()
# Store results (dictionary)
self.results = {
"train_size": len(train_data),
"test_size": len(test_data),
"total_size": len(self.processed_data),
"config": self.config
}
print("\n" + "="*50)
print("โ
Pipeline Complete!")
print(f"Train samples: {self.results['train_size']}")
print(f"Test samples: {self.results['test_size']}")
print("="*50)
return train_data, test_data
# Test the pipeline
raw_data = [
[1, 2, 0],
[3, 4, 1],
[1, 2, 0], # Duplicate
[5, 6, 0],
[7, 8, 1],
[3, 4, 1], # Duplicate
[9, 10, 0],
[11, 12, 1]
]
pipeline = DataPipeline()
train, test = pipeline.run(raw_data)
print("\nSample train data:")
for i, sample in enumerate(train[:3]):
print(f" Sample {i+1}: {[round(x, 2) if isinstance(x, float) else x for x in sample]}")
Common Beginner Mistakes
Mistake 1: Modifying List While Iterating
# Wrong!
numbers = [1, 2, 3, 4, 5]
for num in numbers:
if num % 2 == 0:
numbers.remove(num) # Dangerous!
# Right - Use list comprehension
numbers = [1, 2, 3, 4, 5]
numbers = [num for num in numbers if num % 2 != 0]
print(numbers) # [1, 3, 5]
Mistake 2: Using Mutable Default Arguments
# Wrong!
def add_sample(sample, data=[]):
data.append(sample)
return data
# This behaves unexpectedly!
print(add_sample(1)) # [1]
print(add_sample(2)) # [1, 2] - Wait, what?
# Right
def add_sample(sample, data=None):
if data is None:
data = []
data.append(sample)
return data
Mistake 3: Forgetting Dictionary Keys Are Case-Sensitive
config = {"Learning_Rate": 0.001}
# Won't work!
print(config.get("learning_rate")) # None (wrong case!)
# Always use consistent naming
config = {"learning_rate": 0.001}
print(config.get("learning_rate")) # 0.001
Conclusion: Mastering Data Structures
Congratulations! You've learned Python's essential data structures:
โ
Lists - Ordered, mutable collections for feature vectors and sequences
โ
Dictionaries - Fast key-value lookups for configurations and mappings
โ
Sets - Unique elements for removing duplicates and fast membership
โ
Tuples - Immutable sequences for coordinates and function returns
Next Steps
- Practice daily - Use each data structure in small projects
- Measure performance - Compare list vs set for your use cases
- Read library code - See how pandas, NumPy use these structures
- Build projects - Create ML pipelines combining all structures
- Learn advanced structures - Explore collections module (Counter, defaultdict, deque)
Quick Reference Cheat Sheet
# Lists - Ordered, mutable
my_list = [1, 2, 3]
my_list.append(4)
my_list[0] = 99
# Dictionaries - Key-value pairs
my_dict = {"key": "value"}
my_dict["new_key"] = "new_value"
value = my_dict.get("key", "default")
# Sets - Unique elements
my_set = {1, 2, 3}
my_set.add(4)
print(3 in my_set) # Fast membership test
# Tuples - Immutable
my_tuple = (1, 2, 3)
x, y, z = my_tuple # Unpacking
# List comprehension
squares = [x**2 for x in range(5)]
# Dictionary comprehension
dict_comp = {x: x**2 for x in range(5)}
# Set operations
union = set1 | set2
intersection = set1 & set2
difference = set1 - set2
Data structures are the foundation of efficient Python programming. Master them, and you'll write faster, cleaner, more professional code!
Remember: Choose the right structure for the job. It's not about using the fanciest toolโit's about using the right tool. ๐
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