Top Python Libraries for Machine Learning for Efficient Model Development in 2025
By upGrad
Updated on Feb 21, 2025 | 23 min read | 78.1k views
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By upGrad
Updated on Feb 21, 2025 | 23 min read | 78.1k views
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You might be familiar with facial recognition systems used in smartphones today for biometric security. Did you know these systems usually rely on machine learning models trained using massive amounts of image data?
Interestingly, developers building these machine learning models have shown a great deal of preference for Python libraries. Python’s simplicity, combined with its robust ecosystem of libraries, has made it an indispensable tool for developing and deploying machine learning solutions. In fact, Python maintains its position as one of the most popular programming languages among developers, with a usage rate of 51%.
In this article, you will learn about the top Python ML libraries of 2025, categorizing them by their functionality. Whether you're a student or a working professional, this guide will help you choose the right tools to supercharge your ML career.
Stay ahead in data science, and artificial intelligence with our latest AI news covering real-time breakthroughs and innovations.
A Python library is a collection of pre-written modules or functions designed to solve specific tasks, making programming and machine learning simpler and faster. Instead of starting from scratch, you can import these libraries into your project to access their functionality. Python libraries for machine learning are particularly valued in machine learning for their ability to streamline processes like data manipulation, visualization, and model development.
Also Read: Top 9 Machine Learning Libraries You Should Know About
Python offers a variety of powerful libraries to develop efficient machine learning models, each tailored to specific aspects of model development. These libraries play crucial roles in tasks ranging from data manipulation to complex model building.
Below are some of the top Python libraries, categorized based on their functionality, that will continue to be essential for machine learning in 2025.
Which Python ML Libraries are Used for Data Manipulation and Analysis?
Efficient data manipulation and analysis are the backbone of any successful machine-learning project. Python provides a suite of powerful libraries to handle data preprocessing, cleaning, and transformation, ensuring your models receive the right input.
Here’s an in-depth look at the most popular libraries in this category.
NumPy (Numerical Python) is a foundational library for numerical computing in Python. It provides support for multi-dimensional arrays, matrices, and high-level mathematical functions that operate on these data structures.
It is used for:
Advantages of NumPy:
Disadvantages of NumPy:
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Pandas is a powerful library for data manipulation and analysis. It is known for its easy-to-use DataFrame structure, which allows for intuitive handling of tabular data.
It is used for:
Advantages of Pandas:
Disadvantages of Pandas:
Example: In the finance sector, Pandas is frequently used to analyze stock market data, such as calculating moving averages or visualizing trading volumes over time.
SciPy builds on NumPy to provide advanced scientific and engineering functions, including optimization, integration, and signal processing.
It is used for:
Its advantages include:
Its disadvantages include:
Example: In healthcare, SciPy is used for analyzing patient data in predictive models, such as optimizing treatment plans using numerical methods.
Polars is a high-performance DataFrame library designed to handle large-scale data manipulation tasks efficiently. It uses a multi-threaded engine for faster execution.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Polars is increasingly used in e-commerce for real-time analytics, such as tracking user behavior and generating recommendations for millions of users simultaneously.
These libraries are essential for anyone working with data in Python, ensuring efficient and effective manipulation to power your machine learning models.
Also Read: R vs Python Data Science: The Difference
Data visualization is a critical component of machine learning workflows. It helps in understanding data distributions, identifying patterns, and explaining model outputs effectively. Python offers several powerful libraries to meet these needs, ranging from creating simple plots to designing interactive dashboards.
Matplotlib is one of the oldest and most widely used libraries for creating static, animated, and interactive plots in Python. It serves as the foundation for many other visualization libraries, including Seaborn and Bokeh.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Matplotlib is often used in academic research to visualize experimental results, such as plotting the accuracy of machine learning models over multiple iterations.
Seaborn is built on top of Matplotlib and provides a high-level interface for creating aesthetically pleasing and statistically informative plots. It is particularly useful for exploring relationships between variables.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Seaborn is widely used in data analysis to explore correlations in financial datasets and help analysts make data-driven investment decisions.
Also Read: Data Analysis Using Python [Everything You Need to Know]
Bokeh specializes in creating interactive, web-ready visualizations. It is well-suited for handling large datasets and building dashboards for real-time analytics.
It is used for:
Its advantages include:
Its disadvantages include:
Example: E-commerce platforms use Bokeh to visualize customer behavior in real time, such as tracking product clicks and sales trends.
Plotly is a versatile library for creating interactive, publication-quality graphs. It supports multiple chart types and integrates seamlessly with Jupyter Notebooks.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Plotly is extensively used in business intelligence to create dashboards that allow executives to monitor key performance indicators (KPIs) in real-time.
These libraries empower developers and analysts to convey insights effectively, making visualization a seamless part of the machine learning workflow.
Ready to boost your data science skills? Enroll in upGrad’s free course on Python Libraries: NumPy, Matplotlib, and Pandas today! Master the essential tools for data manipulation and visualization with expert guidance and practical projects.
Machine learning frameworks simplify the complex process of building, training, and deploying models. Python offers a diverse set of libraries that cater to different ML tasks, from basic algorithms to advanced gradient-boosting techniques. Here's an overview of the top ML frameworks that drive innovation across industries.
Scikit-learn is one of the most popular Python libraries for machine learning. It provides simple and efficient tools for data preprocessing, model building, and evaluation, making it suitable for beginners and experts alike.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Scikit-learn is extensively used in predictive analytics, such as predicting customer churn in telecom using classification algorithms.
XGBoost (Extreme Gradient Boosting) is a powerful library for gradient-boosting algorithms. Known for its speed and accuracy, it is a favorite in data science competitions like Kaggle.
It is used for:
Its advantages include:
Its disadvantages include:
Example: XGBoost is widely used in finance for credit risk modeling, where precise predictions and feature importance are critical.
LightGBM is a gradient-boosting framework optimized for speed and efficiency. It is designed to handle large datasets with lower memory usage and faster computation.
It is used for:
Its advantages include:
Its disadvantages include:
Example: E-commerce platforms use LightGBM for product recommendation systems, enabling personalized shopping experiences for millions of users.
CatBoost specializes in handling categorical features without extensive preprocessing. It is highly efficient and provides state-of-the-art performance for gradient-boosting tasks.
It is used for:
Its advantages include:
Its disadvantages include:
Example: CatBoost is used in marketing analytics for customer segmentation and personalized campaign targeting, where categorical data like demographics play a significant role.
These frameworks are indispensable for machine learning practitioners, offering tailored solutions for diverse tasks and datasets. Whether you're solving a small-scale problem or deploying large-scale systems, these libraries provide the tools to achieve optimal results.
Deep learning is at the forefront of advancements in artificial intelligence (AI), enabling tasks like image recognition, natural language processing, and autonomous systems. Python offers several powerful libraries tailored for deep learning, each suited for specific use cases. Here's a closer look at the top libraries in this domain.
Theano is one of the earliest Python libraries designed for numerical computation and deep learning. It allows efficient mathematical operations on large multi-dimensional arrays and GPUs.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Theano has been historically used in academic research to prototype early deep learning models, laying the groundwork for more modern frameworks.
TensorFlow, developed by Google, is a versatile framework for building, training, and deploying machine learning models, especially deep learning models. It supports both symbolic and imperative programming.
It is used for:
Its advantages include:
Its disadvantages include:
Example: TensorFlow powers Google Translate's neural machine translation system, enabling real-time language translations.
Keras is a high-level API built on top of TensorFlow that simplifies building and prototyping deep learning models with an intuitive interface.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Keras is widely used in healthcare for creating diagnostic models that identify diseases from medical images with high accuracy.
PyTorch, developed by Facebook AI, is a popular deep learning framework known for its dynamic computation graphs, making it ideal for research and experimentation.
It is used for:
Its advantages include:
Its disadvantages include:
Example: PyTorch is used by Tesla for training self-driving car models, leveraging real-time data processing.
FastAI is built on PyTorch and designed to make deep learning accessible to practitioners. It simplifies complex tasks and offers state-of-the-art results with minimal code.
It is used for:
Its advantages include:
Its disadvantages include:
Example: FastAI is commonly used in educational platforms to teach students about deep learning through practical projects.
Sonnet, developed by DeepMind, is a TensorFlow-based library designed for building modular and reusable neural network architectures.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Sonnet is used in DeepMind’s AlphaGo project to build reinforcement learning models.
Dist-Keras is a distributed deep learning library built on Keras and Apache Spark. It enables training large-scale models across multiple nodes.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Dist-Keras is used in retail for large-scale customer behavior modeling and recommendation systems.
Caffe is a deep learning framework optimized for image processing and computer vision tasks. It is known for its speed and modular design.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Caffe is widely used in autonomous vehicles for real-time image recognition and object detection.
These libraries cater to diverse deep learning needs, ensuring efficient, scalable, and accurate model development across industries.
Also Read: Top 10 Deep Learning Frameworks in 2024 You Can't Ignore
Machine learning often requires addressing specific challenges that go beyond standard model training and evaluation. Specialized libraries in Python cater to such unique requirements, like graph visualization, statistical modeling, and data pipelines. Here's an overview of Python libraries designed for specialized tasks.
PyDot is a Python library for creating and visualizing graphs and network structures. Built on Graphviz, it provides tools for rendering directed and undirected graphs with customizable layouts.
It is used for:
Its advantages include:
Its disadvantages include:
Example: PyDot is used in telecommunications to visualize network traffic and relationships between nodes, aiding in optimizing network efficiency.
Fuel is a data pipeline library designed to facilitate feeding large datasets into deep learning models. It supports structured data formats like HDF5 and efficiently handles data preprocessing and batching.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Fuel is used in AI-driven genomics for streaming large-scale DNA sequence data into deep learning models, enabling faster analysis and prediction of genetic conditions.
StatsModels is a Python library focused on statistical modeling, hypothesis testing, and data exploration. It provides tools for descriptive statistics, statistical tests, and model diagnostics.
It is used for:
Its advantages include:
Its disadvantages include:
Example: StatsModels is commonly used in social sciences to perform regression analysis for understanding relationships between variables, such as income and education level.
These specialized libraries cater to niche tasks, ensuring that Python remains a versatile tool for solving complex machine learning challenges across domains.
Interactive applications and dashboards make machine learning insights accessible to a broader audience, enabling real-time decision-making and better engagement. Python libraries like Streamlit and Dash simplify the process of turning ML models into web-based tools.
Streamlit is a Python library designed to build interactive web applications with minimal effort. It allows developers to turn data and models into web-based tools using simple Python scripts, eliminating the need for extensive web development knowledge.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Streamlit is widely used in healthcare to deploy ML-powered diagnostic tools, allowing doctors to input patient data and get instant predictions for diseases like diabetes.
Dash, developed by Plotly, is a Python framework for building analytical web applications. It is ideal for creating interactive dashboards that include complex visualizations and data-driven insights.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Dash is often used in finance to create interactive dashboards that track stock market trends, visualize portfolio performance, and analyze market risks in real time.
Both libraries excel in bridging the gap between machine learning and user-friendly interfaces, ensuring your ML models and data are actionable and accessible.
Also Read: Top 10 Python Framework for Web Development
Natural Language Processing (NLP) has become a cornerstone of AI applications, powering systems like chatbots, sentiment analysis tools, and machine translation. Python offers a variety of libraries tailored to different NLP tasks, ranging from beginner-friendly tools to advanced frameworks for large-scale processing.
Apache MXNet is a deep learning framework designed for efficiency and scalability. While not exclusively an NLP library, it provides the tools and flexibility to build and train NLP models at scale.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Apache MXNet is used in large-scale translation systems like AWS Translate, where efficiency and scalability are critical for processing multilingual data.
Pattern is a Python library that combines tools for web mining, NLP, and machine learning. It is particularly useful for text data extraction and analysis.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Pattern is widely used for extracting and analyzing customer reviews from e-commerce platforms to gauge product satisfaction.
Gensim is a Python library designed for topic modeling and document similarity analysis. It focuses on unsupervised algorithms like Latent Dirichlet Allocation (LDA) and Word2Vec.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Gensim is extensively used in news recommendation systems, where topic modeling helps classify and recommend articles based on user interests.
The Natural Language Toolkit (NLTK) is a beginner-friendly Python library for performing basic NLP tasks like tokenization, stemming, and parsing. It is widely used in academic settings.
It is used for:
Its advantages include:
Its disadvantages include:
Example: NLTK is often used in educational courses to teach students the fundamentals of NLP, such as text preprocessing and tagging.
PyBrain (Python-Based Reinforcement Learning, Artificial Intelligence, and Neural Networks Library) is an open-source library for building neural networks and performing reinforcement learning tasks.
It is used for:
Its advantages include:
Its disadvantages include:
Example: PyBrain is often used in research projects involving text-based reinforcement learning, such as optimizing dialogue systems for chatbots.
These libraries cover a broad spectrum of NLP needs, from basic preprocessing to advanced topic modeling and deep learning, ensuring a solution for every stage of your NLP pipeline.
Also Read: Top 10 Python NLP Libraries [And Their Applications in 2024]
Model interpretation and optimization are critical aspects of machine learning. While interpretation ensures transparency and trust in predictions, optimization helps improve model performance. Python offers specialized libraries like Eli5 and Optuna to address these needs efficiently.
Eli5 (Explain Like I’m 5) is a Python library designed to explain machine learning models and their predictions intuitively and understandably. It supports a variety of models, including linear models and ensemble techniques like decision trees and random forests.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Eli5 is used in healthcare applications to explain model predictions, such as identifying which patient attributes (e.g., age, cholesterol level) contributed most to a diagnosis.
Optuna is an advanced hyperparameter optimization framework that simplifies the process of tuning machine learning models. It uses a flexible and efficient trial-based approach to find optimal hyperparameter combinations.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Optuna is used in financial forecasting to fine-tune hyperparameters for time-series models, improving accuracy in predicting stock prices and trends.
These libraries ensure that machine learning models are both interpretable and optimized, making them indispensable tools for improving performance and building trust in AI systems.
Web scraping and data mining are essential for extracting valuable information from the internet, which can then be used for machine learning tasks. Python provides powerful libraries like BeautifulSoup and Scrapy that simplify the process of gathering and structuring web data for analysis.
BeautifulSoup is a Python library for web scraping that parses HTML and XML documents, enabling easy navigation, search, and modification of data. It is widely used for small-to-medium-scale data extraction tasks.
It is used for:
Its advantages include:
Its disadvantages include:
Example: BeautifulSoup is commonly used in market research to extract product prices and reviews from e-commerce websites, which are then analyzed to identify trends.
Scrapy is a powerful and scalable framework for web scraping and data extraction. It provides built-in functionalities for handling asynchronous requests, managing crawlers, and exporting data in various formats like JSON and CSV.
It is used for:
Its advantages include:
Its disadvantages include:
Example: Scrapy is widely used in real estate analytics to extract property listings, including prices, locations, and features, which are then used to train ML models for price prediction.
Both libraries excel in their respective domains—BeautifulSoup for small-scale, beginner-friendly tasks, and Scrapy for large-scale, production-grade scraping workflows—ensuring Python remains a dominant tool for web data extraction.
Selecting the right Python libraries for your machine learning projects can significantly impact your productivity and model performance. Here’s a structured guide to help you choose the most suitable libraries based on your specific needs and project requirements.
1. Task-Specific Needs
Identify the exact task you need to accomplish in your project and select a library tailored to that function.
2. Performance
Consider the speed and efficiency of the library, especially when working with large datasets or computationally intensive tasks.
3. Ease of Use
Some libraries are beginner-friendly, while others offer advanced capabilities but require more expertise.
4. Scalability
Ensure the library can scale with the size and complexity of your project.
5. Integration
Check how well the library integrates with other tools and systems in your workflow.
6. Community Support
Opt for libraries with an active and engaged community to ensure better support, tutorials, and regular updates.
Here’s a summary table for quick reference:
Criteria |
Recommended Libraries |
Data Preprocessing | Pandas, NumPy, Polars |
Visualization | Matplotlib, Seaborn, Plotly |
Traditional ML | Scikit-learn, XGBoost, LightGBM |
Deep Learning | TensorFlow, PyTorch, Keras, FastAI |
Web Apps | Streamlit, Dash |
Scalability | Apache MXNet, TensorFlow, LightGBM |
Choosing the right Python libraries requires aligning their features and capabilities with your project’s goals. By considering task specificity, performance, ease of use, scalability, integration, and community support, you can streamline your machine learning workflow and achieve better results.
Now that you’re familiar with the machine learning libraries for different functions, let’s look at some of the course options that will help you build your career in AI and ML.
In the fast-evolving fields of AI and ML, staying ahead demands more than basics. upGrad, with over 2 million learners and partnerships with institutions like IIIT Bangalore, offers industry-leading programs designed to empower professionals.
Many upGrad learners achieve career growth, transitioning to roles at top global companies. These programs feature real-world projects, hands-on case studies, and globally recognized certifications, equipping you to tackle complex AI and ML challenges.
Here is an overview of AI and ML courses offered by upGrad:
upGrad collaborates with prestigious institutions to offer a variety of courses in AI, ML, and related fields. Below is a table summarizing these programs:
Course Name |
Description |
Post Graduate Diploma in Machine Learning & AI | An in-depth program covering machine learning and AI concepts, designed for professionals aiming to advance their careers in these fields. |
Master of Science in Artificial Intelligence and Data Science | A comprehensive master's program focusing on AI and data science, blending theoretical knowledge with practical applications. |
Doctor of Business Administration in Emerging Technologies with Specialization in Generative AI | A doctoral program focusing on emerging technologies, with a specialization in generative AI, aimed at business professionals seeking leadership roles. |
Executive Program in Generative AI for Business Leaders | A program tailored for business leaders to understand and leverage generative AI technologies in their organizations. |
Advanced Certificate Program in Generative AI | A specialized certificate course focusing on the principles and applications of generative AI. |
Post Graduate Certificate in Machine Learning and Deep Learning | A certificate program covering advanced topics in machine learning and deep learning, suitable for professionals aiming to deepen their expertise. |
Post Graduate Certificate in Machine Learning & NLP | A program focusing on machine learning and natural language processing designed to equip learners with skills in these specialized areas. |
Note: Course durations and offerings are subject to change. Please refer to upGrad's official website for the most current information.
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