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| 1 |
+
---
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| 2 |
+
title: "Mastering Dimensionality Reduction: A Comprehensive Guide to PCA, t-SNE, UMAP, and Autoencoders"
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| 3 |
+
published: true
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| 4 |
+
description: "A complete implementation and analysis of dimensionality reduction techniques with practical examples, performance comparisons, and when to use each method."
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| 5 |
+
tags: machinelearning, datascience, python, dimensionalityreduction
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| 6 |
+
cover_image: https://raw.githubusercontent.com/GruheshKurra/dimensionality-reduction/main/visualizations/iris_comparison.png
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| 7 |
+
canonical_url:
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| 8 |
+
---
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| 9 |
+
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| 10 |
+
# Mastering Dimensionality Reduction: A Comprehensive Guide to PCA, t-SNE, UMAP, and Autoencoders
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| 11 |
+
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| 12 |
+
Dimensionality reduction is like taking a 3D object and creating a 2D shadow that preserves the most important information. In this comprehensive guide, we'll explore four powerful techniques: PCA, t-SNE, UMAP, and Autoencoders, with complete implementations and performance analysis.
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| 13 |
+
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| 14 |
+
## π― Why Dimensionality Reduction Matters
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| 15 |
+
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| 16 |
+
Imagine you have a dataset with 1000 features describing each data point, but many features are redundant or noisy. Dimensionality reduction helps you:
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| 17 |
+
|
| 18 |
+
- **Visualize High-Dimensional Data**: Plot complex datasets in 2D/3D
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| 19 |
+
- **Reduce Computational Complexity**: Faster processing with fewer features
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| 20 |
+
- **Eliminate Noise**: Remove redundant or noisy features
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| 21 |
+
- **Overcome Curse of Dimensionality**: Improve algorithm performance
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| 22 |
+
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| 23 |
+
## π The Four Techniques We'll Compare
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| 24 |
+
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| 25 |
+
### 1. **PCA (Principal Component Analysis)**
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| 26 |
+
- **Type**: Linear transformation
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| 27 |
+
- **Best For**: Data with linear relationships
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| 28 |
+
- **Key Advantage**: Interpretable components, fast computation
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| 29 |
+
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| 30 |
+
### 2. **t-SNE (t-Distributed Stochastic Neighbor Embedding)**
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| 31 |
+
- **Type**: Non-linear manifold learning
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| 32 |
+
- **Best For**: Data visualization and clustering
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| 33 |
+
- **Key Advantage**: Excellent at preserving local structure
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| 34 |
+
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| 35 |
+
### 3. **UMAP (Uniform Manifold Approximation and Projection)**
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| 36 |
+
- **Type**: Non-linear manifold learning
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| 37 |
+
- **Best For**: Balanced local and global structure preservation
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| 38 |
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- **Key Advantage**: Faster than t-SNE, better global structure
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| 39 |
+
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| 40 |
+
### 4. **Autoencoders**
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| 41 |
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- **Type**: Neural network approach
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| 42 |
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- **Best For**: Complex non-linear relationships
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| 43 |
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- **Key Advantage**: Highly flexible, customizable architecture
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| 44 |
+
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| 45 |
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## π¬ Experimental Setup
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| 46 |
+
|
| 47 |
+
I tested all four methods on two standard datasets:
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| 48 |
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- **Iris Dataset**: 150 samples, 4 features, 3 classes (low-dimensional)
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| 49 |
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- **Digits Dataset**: 1797 samples, 64 features, 10 classes (high-dimensional)
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| 50 |
+
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| 51 |
+
## π Performance Results
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| 52 |
+
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| 53 |
+
Here's how each method performed in terms of **accuracy retention** (classification performance after dimensionality reduction):
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| 54 |
+
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| 55 |
+
### Iris Dataset Results
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| 56 |
+
| Method | Accuracy Retention |
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| 57 |
+
|--------|-------------------|
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| 58 |
+
| PCA | 97.5% |
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| 59 |
+
| t-SNE | 105.0% |
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| 60 |
+
| UMAP | 102.5% |
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| 61 |
+
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| 62 |
+
### Digits Dataset Results
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| 63 |
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| Method | Accuracy Retention |
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| 64 |
+
|--------|-------------------|
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| 65 |
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| PCA | 52.4% |
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| 66 |
+
| t-SNE | 100.4% |
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| 67 |
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| UMAP | 99.2% |
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| 68 |
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| 69 |
+
## π‘ Key Insights
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| 70 |
+
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| 71 |
+
### 1. **PCA Works Best for Linear Data**
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| 72 |
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```python
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| 73 |
+
# PCA explained variance for Iris dataset
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| 74 |
+
iris_pca_variance = [73.0%, 22.9%] # First 2 components explain 95.9%
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| 75 |
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digits_pca_variance = [12.0%, 9.6%] # First 2 components explain only 21.6%
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| 76 |
+
```
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| 78 |
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PCA excelled on the Iris dataset but struggled with the high-dimensional Digits dataset, showing its linear nature.
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| 79 |
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| 80 |
+
### 2. **t-SNE Excels at Visualization**
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| 81 |
+
t-SNE sometimes even improved classification performance! This happens because it's excellent at separating clusters, making classification easier.
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| 82 |
+
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| 83 |
+
### 3. **UMAP Provides the Best Balance**
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| 84 |
+
UMAP consistently delivered excellent performance across both datasets, proving its effectiveness for both visualization and downstream tasks.
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| 85 |
+
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| 86 |
+
### 4. **Autoencoders Are Highly Flexible**
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| 87 |
+
Our neural network autoencoder achieved good reconstruction with final losses of:
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| 88 |
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- Iris: 0.081 (excellent)
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| 89 |
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- Digits: 0.348 (good, considering complexity)
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| 90 |
+
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| 91 |
+
## π οΈ Implementation Highlights
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| 92 |
+
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| 93 |
+
### Simple Autoencoder Architecture
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| 94 |
+
```python
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| 95 |
+
class SimpleAutoencoder(nn.Module):
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| 96 |
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def __init__(self, input_dim, encoding_dim):
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| 97 |
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super().__init__()
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self.encoder = nn.Sequential(
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| 99 |
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nn.Linear(input_dim, 128),
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| 100 |
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nn.ReLU(),
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nn.Linear(128, 64),
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nn.ReLU(),
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nn.Linear(64, encoding_dim)
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)
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self.decoder = nn.Sequential(
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| 107 |
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nn.Linear(encoding_dim, 64),
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nn.ReLU(),
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nn.Linear(64, 128),
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| 110 |
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nn.ReLU(),
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| 111 |
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nn.Linear(128, input_dim)
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| 112 |
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)
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| 113 |
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```
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| 114 |
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### Evaluation Strategy
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| 116 |
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```python
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| 117 |
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def evaluate_dimensionality_reduction(original_data, reduced_data, target):
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| 118 |
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# Train classifiers on both original and reduced data
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| 119 |
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rf_orig = RandomForestClassifier(random_state=42)
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| 120 |
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rf_red = RandomForestClassifier(random_state=42)
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| 121 |
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| 122 |
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# Compare accuracy retention
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| 123 |
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acc_orig = accuracy_score(y_test, rf_orig.predict(X_test_orig))
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| 124 |
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acc_red = accuracy_score(y_test, rf_red.predict(X_test_red))
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| 125 |
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| 126 |
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return (acc_red/acc_orig) * 100 # Accuracy retention percentage
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```
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| 129 |
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## π¨ Visualization Results
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| 130 |
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| 131 |
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The visualizations clearly show the differences between methods:
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| 133 |
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| 134 |
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| 135 |
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| 136 |
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| 137 |
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## π When to Use Each Method
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| 138 |
+
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| 139 |
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### Use **PCA** when:
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| 140 |
+
- β
You need interpretable components
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| 141 |
+
- β
Data has linear relationships
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| 142 |
+
- β
You want fast computation
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| 143 |
+
- β
Feature compression is the goal
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| 144 |
+
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| 145 |
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### Use **t-SNE** when:
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| 146 |
+
- β
Visualization is the primary goal
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| 147 |
+
- β
You have small to medium datasets
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| 148 |
+
- β
Local structure preservation is crucial
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| 149 |
+
- β Avoid for very large datasets (slow)
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| 150 |
+
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| 151 |
+
### Use **UMAP** when:
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| 152 |
+
- β
You need both local and global structure
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| 153 |
+
- β
You have large datasets
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| 154 |
+
- β
You want to transform new data points
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| 155 |
+
- β
General-purpose dimensionality reduction
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| 156 |
+
|
| 157 |
+
### Use **Autoencoders** when:
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| 158 |
+
- β
You have complex non-linear relationships
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| 159 |
+
- β
You need custom architectures
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| 160 |
+
- β
You have sufficient computational resources
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| 161 |
+
- β
You want to learn representations for specific tasks
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| 162 |
+
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| 163 |
+
## π Method Comparison Summary
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| 164 |
+
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| 165 |
+
| Aspect | PCA | t-SNE | UMAP | Autoencoder |
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| 166 |
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|--------|-----|-------|------|-------------|
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| 167 |
+
| **Linearity** | Linear | Non-linear | Non-linear | Non-linear |
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| 168 |
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| **Speed** | Fast | Slow | Medium | Medium |
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| 169 |
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| **Deterministic** | Yes | No | Yes* | Yes* |
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| 170 |
+
| **New Data** | β
| β | β
| β
|
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| 171 |
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| **Interpretability** | High | Low | Medium | Low |
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| 172 |
+
| **Scalability** | Excellent | Poor | Good | Good |
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| 173 |
+
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| 174 |
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*With fixed random seed
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| 175 |
+
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| 176 |
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## π οΈ Complete Implementation
|
| 177 |
+
|
| 178 |
+
The complete implementation includes:
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| 179 |
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- π Detailed theory explanations with mathematical foundations
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| 180 |
+
- π» Step-by-step code with comprehensive comments
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| 181 |
+
- π Performance evaluation framework
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| 182 |
+
- π¨ Visualization suite for method comparison
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| 183 |
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- πΎ Model persistence for reusability
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| 184 |
+
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| 185 |
+
## π Access the Complete Code
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| 186 |
+
|
| 187 |
+
- **GitHub Repository**: [dimensionality-reduction](https://github.com/GruheshKurra/dimensionality-reduction)
|
| 188 |
+
- **Hugging Face**: [karthik-2905/dimensionality-reduction](https://huggingface.co/karthik-2905/dimensionality-reduction)
|
| 189 |
+
- **Interactive Notebook**: Available in the repository
|
| 190 |
+
|
| 191 |
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## π Key Takeaways
|
| 192 |
+
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| 193 |
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1. **No One-Size-Fits-All**: Each method has its strengths and optimal use cases
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| 194 |
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2. **Data Matters**: The nature of your data significantly impacts method selection
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| 195 |
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3. **Evaluation is Crucial**: Always evaluate dimensionality reduction quality using downstream tasks
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| 196 |
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4. **Visualization vs. Performance**: Methods that create beautiful visualizations might not always preserve the most information for machine learning tasks
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| 197 |
+
|
| 198 |
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## π― Next Steps
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| 199 |
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|
| 200 |
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Try implementing these techniques on your own datasets! Consider:
|
| 201 |
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- Experimenting with different hyperparameters
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| 202 |
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- Combining multiple methods in a pipeline
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| 203 |
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- Using dimensionality reduction as preprocessing for other ML tasks
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| 204 |
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- Exploring advanced variants like Variational Autoencoders (VAEs)
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| 205 |
+
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| 206 |
+
---
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| 207 |
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| 208 |
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*What's your experience with dimensionality reduction? Which method works best for your use case? Share your thoughts in the comments below!*
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| 209 |
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| 210 |
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**Tags**: #MachineLearning #DataScience #Python #DimensionalityReduction #PCA #tSNE #UMAP #Autoencoders #DataVisualization
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