Unlocking Network Biology with Transfer Learning Enables Predictions

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Posted Nov 13, 2024

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Abstract Shapes of Molecule
Credit: pexels.com, Abstract Shapes of Molecule

Transfer learning has revolutionized the field of network biology by enabling predictions with unprecedented accuracy. By leveraging pre-trained models, researchers can tap into vast amounts of existing knowledge and apply it to new, complex problems.

In a recent study, a team of scientists used transfer learning to predict protein-protein interactions with an impressive 95% accuracy. This breakthrough has far-reaching implications for our understanding of cellular processes and disease mechanisms.

Transfer learning allows researchers to adapt pre-trained models to new tasks without requiring extensive retraining from scratch. This approach is particularly useful in network biology, where data is often limited and noisy.

By applying transfer learning to network biology, researchers can unlock new insights and predictions that would be impossible to achieve through traditional machine learning methods.

What is Transfer Learning in Network Biology?

Transfer learning enables predictions in network biology by integrating prior knowledge with new data. This approach has been successfully applied in various studies.

Credit: youtube.com, Computers Now Know Gene Networks: Transfer Learning & Massive Single Cell Transcriptomes Predict Bio

Transfer learning is a machine learning technique that allows models to leverage knowledge gained from one task to improve performance on another task. In network biology, this means using existing knowledge about biological networks to make predictions about new data.

By combining single-cell multi-omics data with prior biological knowledge, researchers can gain a deeper understanding of the immune system's function. This integrated approach has been shown to be effective in characterizing the immune system.

Transfer learning can be particularly useful when working with complex biological systems, where large amounts of data are required to make accurate predictions. By leveraging prior knowledge, researchers can reduce the need for large amounts of new data and improve the accuracy of their predictions.

The ability to make predictions in network biology has far-reaching implications for our understanding of biological systems and disease mechanisms. By applying transfer learning to network biology, researchers can gain new insights into the workings of the immune system and other complex biological systems.

Abstract

Credit: youtube.com, When AI Meets Biology Webinar Highlights | Geneformer by Dr. Christina Theodoris

Large language models are capable of understanding genes and cells, thanks to foundation models like CellFM, which was pre-trained on transcriptomics of 100 million human cells.

Foundation models have the potential to revolutionize single-cell data analysis, enabling zero-shot query of cellular states through deep identifiable modeling of single-cell atlases.

Cellular states can be queried without the need for extensive training data, thanks to the pre-training of foundation models on large datasets like the one used for CellFM.

This technology has the potential to accelerate discoveries in network biology by enabling predictions in complex biological systems.

Implementation Details

In transfer learning, a pre-trained model is fine-tuned for a specific task, such as predicting protein function.

The pre-trained model's weights are adjusted to fit the new task, using a smaller learning rate to prevent overfitting. This is done by training the model on a smaller dataset, often referred to as the "fine-tuning" dataset.

The fine-tuning process typically involves a few hundred to a few thousand iterations, depending on the complexity of the task and the size of the dataset.

Discover more: Hyperparameters Tuning

Model Description

Credit: youtube.com, PART 1 - Overview Structure Code And Implementation Model Design

The model is based on a transformer architecture, which is particularly well-suited for sequential data.

It has 6 encoder layers and 6 decoder layers, allowing it to process complex input sequences.

The model uses a multi-head attention mechanism to weigh the importance of different input elements.

Each attention head has 8 attention heads, which helps to capture different aspects of the input sequence.

The model's embedding size is 512, which is the size of the input and output embeddings.

The model's hidden size is 2048, which is the size of the hidden states in the encoder and decoder.

The model uses the sinusoidal positional encoding to preserve the positional information of the input sequence.

The model's dropout rate is 0.1, which helps to prevent overfitting.

The model's weight decay rate is 0.01, which helps to prevent overfitting.

The model's Adam optimizer is used with a learning rate of 0.0001.

Application

The Geneformer model is a powerful tool that can be used for a wide range of applications. You can use it directly for zero-shot learning, or fine-tune it for specific tasks.

Graphic Design of Molecular Models
Credit: pexels.com, Graphic Design of Molecular Models

One of the key benefits of the Geneformer model is its ability to perform in silico perturbation analysis. This allows researchers to determine the impact of genetic mutations on cell behavior, and identify potential disease-driving genes.

The model can also be used for transcription factor dosage sensitivity analysis, which is essential for understanding how genetic variations affect gene expression.

The Geneformer model can also be used for batch integration, which is a critical step in combining data from different sources.

Here are some specific examples of applications where the Geneformer model has been demonstrated:

  • transcription factor dosage sensitivity
  • chromatin dynamics (bivalently marked promoters)
  • transcription factor regulatory range
  • gene network centrality
  • transcription factor targets
  • cell type annotation
  • batch integration
  • cell state classification across differentiation
  • disease classification
  • in silico perturbation to determine disease-driving genes
  • in silico treatment to determine candidate therapeutic targets

Installation

To get started with Geneformer, you'll need to install the necessary functions. This process takes around 20 seconds and includes tokenizing transcriptomes, pretraining, hyperparameter tuning, fine-tuning, extracting and plotting cell embeddings, and in silico perturbation.

You'll need GPU resources to use Geneformer efficiently, so make sure you have a compatible setup. Tuning hyperparameters is also crucial for boosting predictive potential in downstream tasks.

Cell Seen Under Microscope
Credit: pexels.com, Cell Seen Under Microscope

In addition to pretraining, you'll need to fine-tune the model for your specific application. Fine-tuning examples are meant to be generally applicable, but you'll need to adjust the input datasets and labels accordingly.

The example input files for a few downstream tasks are located in the example_input_files directory, but these are just a few examples. You'll likely need to create your own input files for your specific application.

Here are the key installation tasks to keep in mind:

  • Tokenizing transcriptomes
  • Pretraining
  • Hyperparameter tuning
  • Fine-tuning
  • Extracting and plotting cell embeddings
  • In silico perturbation

Remember to tune hyperparameters for each downstream fine-tuning application to get the best results.

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