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CodeBERT-Based Detection of Malicious-Code Injection Attacks in Third-Party Python Packages for Pre-Installation Supply-Chain Threat Prevention

Description

Python applications frequently depend on third-party packages to provide functionality without requiring developers to implement every component independently. These packages may be obtained from public repositories and incorporated into applications through dependency-management tools.

However, third-party packages can introduce software supply-chain security risks when their source code contains intentionally malicious functionality. An attacker may attempt to introduce malicious code into a package so that applications become exposed when the package is trusted, installed, or used.

Malicious-code injection can involve suspicious functions, unauthorized data access, unexpected command execution, or other code patterns intended to compromise a system. Such code may be embedded within otherwise legitimate-looking package source files, making manual inspection difficult when packages contain numerous files or complex functionality.

Traditional security tools can identify certain known vulnerabilities and suspicious patterns. However, identifying malicious code in previously unseen package samples may require additional analysis of the source code and its context.

In this use case, CodeBERT is used as the AI model for malicious-code classification. An existing public software-package security dataset is used as the primary data source for model training and evaluation. The dataset is inspected to identify suitable benign and malicious code samples, reliable classification labels, and source-code representations compatible with the proposed model.

The selected samples are preprocessed and used to fine-tune CodeBERT for binary classification. The trained model is evaluated against held-out records and subsequently tested using a controlled malicious-code injection scenario created within an isolated laboratory.

Ubuntu Linux provides the primary AI and package-analysis environment, while Kali Linux supports controlled security testing. The attack scenario uses a laboratory-only Python test package containing a harmless simulated malicious-code pattern. The code is inspected and classified without executing actual malware.

The model identifies potentially malicious code and flags suspicious package samples for further security review before installation. The classification result is compared with the known test condition and supporting source-code evidence to evaluate the detection workflow.

The complete workflow is:
Existing Public Software-Package Security Dataset
→
Dataset Suitability Assessment
→
Benign and Malicious Code Selection
→
Source-Code Preprocessing
→
CodeBERT Fine-Tuning
→
Held-Out Model Evaluation
→
Controlled Python Package Preparation
→
Simulated Malicious-Code Injection
→
Package Source-Code Inspection
→
CodeBERT Classification
→
Suspicious Code Identification
→
Risk Flagging
→
Security Review
→
Pre-Installation Approval Decision
→
Final Detection Validation

Existing Security Problem

Application: Third-Party Python Package Ecosystem

Third-party Python packages provide reusable components for application development. Developers commonly obtain these packages from public package repositories and install them through Python dependency-management tools.

However, package source code may contain malicious functionality that is difficult to identify through routine package inspection. A package may appear legitimate based on its name, description, or basic functionality while containing suspicious code within its source files.

Existing Problem :

Software supply-chain attacks can introduce malicious code through third-party packages. When a developer or application installs and trusts a compromised package, the malicious functionality may become part of the application's software environment.

Traditional security mechanisms can detect known vulnerabilities, suspicious strings, or predefined patterns. However, these mechanisms may not identify every previously unseen malicious-code pattern.

Manual source-code inspection also becomes difficult when packages contain many files, nested modules, and complex control flows.

The security problem is:
Python Application
→
Third-Party Package Dependency
→
Package Source Code Introduced
→
Potential Malicious-Code Injection
→
Suspicious Functionality Hidden Within Package Code
→
Traditional Pattern-Based Detection Limitations
→
Manual Source-Code Review Required
→
Potential Software Supply-Chain Exposure
→
AI-Based Code Classification Required
→
Pre-Installation Security Review

The proposed solution introduces CodeBERT-based source-code classification into the package assessment workflow. The model learns patterns from labelled source-code samples and classifies compatible code samples as benign or potentially malicious.

Attack

Specific Attack: Malicious-Code Injection Attack Through a Third-Party Python Package

A malicious-code injection attack involves introducing intentionally harmful code into software that may later be trusted or used by an application.

In this use case, the attack scenario is reproduced within an isolated cybersecurity laboratory. A dedicated Python test package is prepared, and a harmless simulated malicious-code pattern is inserted into one of its source files.

The simulated pattern is designed to represent suspicious code characteristics without performing destructive actions, collecting real credentials, accessing confidential information, or communicating with external systems.

The package source code is collected and submitted to the trained CodeBERT model. The model classifies the relevant code sample, and its prediction is compared with the known test condition.

The purpose is to determine whether the detection workflow can identify the injected suspicious code and flag the package for security review before installation.

The experiment does not require executing actual malware or publishing a malicious package to a public repository.

Attack Behavior :
Third-Party Python Package Prepared
→
Package Source Code Inspected
→
Controlled Malicious-Code Pattern Introduced
→
Laboratory Test Package Created
→
Package Source Code Collected
→
Source-Code Preprocessing
→
CodeBERT-Based Classification
→
Potentially Malicious Code Identified
→
Package Risk Flagged
→
Security Evidence Reviewed
→
Pre-Installation Decision Validated

Security Concept

CodeBERT-Based Malicious-Code Detection and Pre-Installation Supply-Chain Threat Prevention

The primary security concept is AI-based detection of malicious code in third-party Python packages.

The first objective is to prepare suitable source-code samples from an existing public software-package security dataset. The selected benign and malicious records are processed into source-code representations compatible with CodeBERT.

The second objective is to fine-tune CodeBERT using labelled benign and malicious code samples. The trained model learns code representations that support classification of compatible source-code samples.

The third objective is to validate the classification results using held-out records and controlled package-risk scenarios. Packages containing code predicted as potentially malicious are flagged for further investigation before they are trusted or installed.

The assessment follows:
Existing Public Software-Package Security Dataset
→
Dataset Suitability Assessment
→
Benign and Malicious Code Selection
→
Source-Code Preprocessing
→
CodeBERT Input Preparation
→
CodeBERT Fine-Tuning
→
Held-Out Model Evaluation
→
Controlled Package-Risk Validation
→
Malicious-Code Classification
→
Risk Flagging
→
Security Review

Defensive Mechanism

The security concept defines the overall package-security strategy.

The following are the specific defensive mechanisms implemented.

Source-Code Feature Representation :

Package source code is processed into a consistent representation suitable for CodeBERT.

Purpose: Prepare source-code samples for AI-based malicious-code classification.

CodeBERT-Based Malicious-Code Classification

The fine-tuned CodeBERT model classifies source-code samples according to the benign and malicious categories represented in the training data.

Purpose
  • Identify code samples that exhibit patterns associated with the learned malicious-code category.

Pre-Installation Package Inspection

Package source files are analyzed before the package is approved for installation.

Purpose
  • Identify potentially suspicious code before it is introduced into the application environment.

Suspicious Code Evidence Collection

The source-code locations and relevant code snippets associated with flagged samples are preserved for review.

Purpose
  • Provide traceable evidence supporting the security assessment.

Risk Flagging

Packages containing code classified as potentially malicious are flagged for additional investigation.

Purpose
  • Ensure that suspicious package samples receive security review before approval.

Controlled Attack Validation

The detection workflow is tested against a laboratory package containing a harmless simulated malicious-code pattern.

Purpose
  • Validate whether the classification workflow identifies the intended test condition.

Model Performance Evaluation

The CodeBERT model is evaluated using held-out labelled samples and appropriate classification metrics.

Purpose
  • Measure detection performance and identify false-positive and false-negative results.

Security Review and Installation Approval

Classification results and source-code evidence are reviewed before a package is approved for use.

Purpose
  • Support an evidence-based decision to approve, reject, or investigate a package further.

Controlled Laboratory Isolation

The simulated attack remains within the isolated Ubuntu and Kali Linux laboratory.

Purpose
  • Validate the detection workflow without executing real malware or exposing production systems.

Security Tools

Primary AI Model: CodeBERT

CodeBERT is a code-focused Transformer model used to learn representations of programming-language source code. In this use case, it is fine-tuned for binary classification of benign and malicious source-code samples.

Purpose
  • Process source-code representations.
  • Learn patterns from labelled code samples.
  • Classify compatible source-code samples.
  • Generate predictions for malicious-code detection.

AI Framework: PyTorch

PyTorch provides the framework for model training and inference.

Purpose
  • Support CodeBERT fine-tuning.
  • Prepare model inputs and tensors.
  • Execute model training.
  • Generate classification predictions.

Transformer Library: Hugging Face Transformers

Hugging Face Transformers provides the CodeBERT model implementation and the utilities required for tokenization and fine-tuning.

Purpose
  • Load a compatible pretrained CodeBERT checkpoint.
  • Tokenize source-code samples.
  • Configure the classification model.
  • Perform model inference.

Programming and Automation Tool: Python

Python provides the main implementation environment for the detection workflow.

Purpose
  • Integrate dataset processing and CodeBERT inference.
  • Automate source-code analysis.
  • Process classification results.
  • Generate package-risk reports.

Data Processing Tool: Pandas

Pandas is used to load, filter, organize, and analyze the existing public software-package security dataset.

Purpose
  • Inspect dataset records and labels.
  • Organize benign and malicious code samples.
  • Prepare training and evaluation records.
  • Analyze classification results.

Numerical Processing Tool: NumPy

NumPy supports numerical operations required during data preparation and evaluation.

Purpose
  • Support numerical data processing.
  • Assist with evaluation calculations.
  • Organize numerical results.

Model Evaluation Tool: Scikit-learn

Scikit-learn provides utilities for dataset splitting and classification evaluation.

Purpose
  • Prepare training and test partitions.
  • Calculate precision, recall, and F1-score.
  • Generate a confusion matrix.
  • Evaluate classification performance.

Python Package Repository: PyPI

PyPI provides the context for third-party Python package assessment.

Purpose
  • Identify Python package information.
  • Examine package metadata and source distributions where available.
  • Support dependency and package-security assessment.

Package Management Tool: pip

pip is used to manage Python packages in the controlled environment.

Purpose
  • Prepare isolated Python environments.
  • Inspect dependency requirements.
  • Support controlled package-management testing.

Version-Control Tool: Git

Git manages the source files and implementation history associated with the project.

Purpose
  • Track changes to the detection code.
  • Preserve the project configuration.
  • Support reproducibility.

Security Testing Platform: Kali Linux

Kali Linux provides the controlled security-testing environment.

Purpose
  • Support authorized package-security testing.
  • Prepare controlled test scenarios.
  • Assist in validating the detection workflow.

AI and Package-Analysis Environment: Ubuntu Linux

Ubuntu Linux provides the main environment for running Python, CodeBERT, and the package-analysis workflow.

Purpose
  • Execute model training and inference.
  • Process package source code.
  • Store assessment results.
  • Support controlled validation.

Virtualization Platform: VirtualBox

VirtualBox provides the isolated virtual-machine environment used for the experiment.

Purpose
  • Host the Ubuntu and Kali Linux virtual machines.
  • Separate controlled testing from the host environment.
  • Support repeatable laboratory experiments.

Evidence Storage Tool: SQLite

SQLite stores package records, classification predictions, source-code references, and validation results.

Purpose
  • Maintain structured package-assessment records.
  • Associate predictions with source-code evidence.
  • Preserve test results.
  • Support investigation and review.

Process

STEP 01

Prepare the Isolated Laboratory Environment

  • Create the cybersecurity laboratory using VirtualBox
  • Configure Ubuntu Linux as the primary AI and package-analysis environment
  • Configure Kali Linux as the controlled security-testing environment
  • Establish the required laboratory network connectivity.
  • Verify that both virtual machines operate correctly.
  • Ensure that all attack simulation and package testing remain within the authorized laboratory.
Tools: VirtualBox + Ubuntu Linux + Kali Linux
STEP 02

Prepare the Python Package-Analysis Environment

  • Prepare Ubuntu for Python-based package analysis.
  • Create a dedicated project directory for datasets, source-code samples, processed records, model files, and evaluation results.
  • Configure an isolated Python environment for the required project libraries.
  • Verify the availability of Python and the supporting AI libraries.
  • Record the software versions and environment configuration used in the experiment.
Tools: Ubuntu Linux + Python + pip + VirtualBox
STEP 03

Obtain the Existing Public Software-Package Security Dataset

  • Identify and obtain an existing public software-package security dataset suitable for malicious-code classification.
  • Review the dataset documentation, permitted usage, available package records, source-code availability, and classification labels.
  • Determine whether the dataset contains suitable benign and malicious code samples.
  • Check whether the records provide sufficient source-code information for CodeBERT fine-tuning.
  • Preserve the original dataset and its documentation.
  • Do not manually fabricate the primary training dataset.
Tools: Python + Pandas + Ubuntu Linux
STEP 04

Inspect the Dataset Structure

  • Load the selected public dataset into Python.
  • Inspect its file structure, record format, package metadata, source-code availability, and classification labels.
  • Identify the available information for benign and malicious samples.
  • Check whether the dataset contains duplicate records, missing labels, or incomplete source-code files.
  • Determine whether the selected data supports binary source-code classification.
  • Document any limitations that may affect model training or evaluation.
Tools: Python + Pandas + NumPy
STEP 05

Select Suitable Benign and Malicious Code Samples

  • Review the dataset and identify source-code samples with usable labels.
  • Select benign and malicious records appropriate for the classification task.
  • Verify that the labels correspond to the intended classification categories.
  • Exclude unusable or incorrectly formatted records where necessary.
  • Preserve the original record identifiers and source references.
  • Review the class distribution to determine whether the selected dataset contains sufficient samples for training and evaluation.
Tools: Python + Pandas
STEP 06

Preprocess the Source-Code Dataset

  • Inspect the selected source-code samples for missing files, invalid content, and inconsistent formatting.
  • Normalize the source-code representation where appropriate without removing meaningful code characteristics.
  • Handle samples that exceed the model's supported input length.
  • Preserve relevant code structure and avoid preprocessing that unintentionally removes the suspicious patterns being investigated.
  • Maintain the original source code separately from the processed representation.
  • Record the preprocessing configuration for reproducibility.
Tools: Python + Pandas + NumPy
STEP 07

Prepare Source-Code Inputs for CodeBERT

  • Load a compatible pretrained CodeBERT checkpoint through Hugging Face Transformers.
  • Configure the tokenizer required by the selected checkpoint.
  • Convert the selected source-code samples into token sequences.
  • Apply the model's supported input-length and padding requirements.
  • Associate each processed sample with its verified classification label.
  • Check that the resulting inputs are compatible with the selected CodeBERT model.
  • Preserve the preprocessing and tokenization configuration for later inference.
Tools: Python + Hugging Face Transformers + PyTorch
STEP 08

Prepare Training and Test Data

  • Separate the processed source-code records into training, validation, and test partitions.
  • Preserve the corresponding benign and malicious labels.
  • Avoid using test records during model training or parameter selection.
  • Where possible, split data by package or source project rather than randomly splitting nearly identical code samples across partitions.
  • This helps reduce data leakage and provides a more realistic evaluation of generalization to previously unseen packages.
  • Record the number of samples and class distribution in each partition.
Tools: Python + Pandas + Scikit-learn
STEP 09

Configure the CodeBERT Classification Model

  • Load the pretrained CodeBERT checkpoint.
  • Configure a classification head for the two supported categories: benign and malicious.
  • Set the model's training parameters, including the learning rate, batch size, and number of training epochs.
  • Configure the loss function and optimization process appropriate for binary classification.
  • Verify that the model accepts the prepared token sequences and produces the expected classification outputs.
  • Record the model configuration before training.
Tools: Python + Hugging Face Transformers + PyTorch
STEP 10

Fine-Tune CodeBERT Using the Public Dataset

  • Provide the prepared training samples and their verified labels to the CodeBERT classification model.
  • Fine-tune the model so that it learns patterns represented in the labelled benign and malicious source-code samples.
  • Monitor the training loss and validation performance.
  • Review the training process for unstable learning or signs of overfitting.
  • Save the trained model and its corresponding tokenizer configuration.
  • Preserve the training settings so that the experiment can be reproduced.
Tools: Python + CodeBERT + PyTorch + Hugging Face Transformers
STEP 11

Evaluate the Trained Classification Model

  • Provide the held-out test samples to the trained CodeBERT model.
  • Generate predictions for the test records.
  • Compare the predictions with the corresponding reference labels.
  • Calculate accuracy, precision, recall, and F1-score where appropriate.
  • Generate a confusion matrix to examine classification errors.
  • Review false positives and false negatives to understand the model's limitations.
  • Record the actual evaluation results without assuming that the model achieves a particular detection rate.
Tools: Python + PyTorch + Scikit-learn + Pandas
STEP 12

Prepare the Controlled Python Package Scenario

  • Create a dedicated test package inside the isolated Ubuntu environment.
  • Use harmless test code to represent normal package functionality.
  • Prepare a controlled source-code modification that introduces a clearly defined suspicious pattern, such as an illustrative unauthorized-operation indicator.
  • Ensure that the simulated pattern does not collect real credentials, access confidential files, execute destructive commands, or communicate with external systems.
  • Record the original package state and the modified test condition.
  • Keep the test package separate from production projects and public package repositories.
Tools: Ubuntu Linux + Python + pip + Git
STEP 13

Introduce the Simulated Malicious-Code Pattern

  • Modify the designated test package by adding the harmless simulated malicious-code pattern to a source file.
  • Preserve the original version for comparison.
  • Record which file was modified and the intended suspicious characteristic represented by the test.
  • Confirm that the modified code remains non-destructive and does not need to be executed for static analysis.
  • Keep the test condition and its known label separate from the model prediction.
  • Preserve the modified source code as controlled validation evidence.
Tools: Python + Git + Ubuntu Linux
STEP 14

Perform CodeBERT-Based Malicious-Code Classification

  • Load the fine-tuned CodeBERT model and its corresponding tokenizer.
  • Read the designated package source file.
  • Apply the same preprocessing and tokenization procedure used during training.
  • Provide the processed source-code input to the trained model.
  • Generate the predicted classification and record the associated score or probability where supported.
  • Associate the prediction with the original package and source-file reference.
  • Treat the output as a detection result requiring validation rather than definitive
  • proof of malicious intent.
Tools: Python + CodeBERT + PyTorch + Hugging Face Transformers
STEP 15

Inspect the Package and Collect Security Evidence

  • Review the source-code file associated with the classification result.
  • Identify the simulated suspicious pattern and preserve the relevant source-code location.
  • Compare the source file with the original benign package version.
  • Record the model prediction, known test condition, and supporting code evidence.
  • If the model flags a file that does not contain the intended test pattern, preserve that result for false-positive analysis.
  • Do not claim that actual malicious behavior occurred merely because a source-code pattern was flagged.
Tools: Python + Git + Pandas + Ubuntu Linux
STEP 16

Correlate Model Predictions with the Known Test Condition

  • Collect the CodeBERT prediction and the controlled test-package information.
  • Associate the prediction with the relevant source-code sample.
  • Compare the result with the known benign or simulated-malicious test condition.
  • Determine whether the model identifies the modified sample as potentially malicious.
  • Preserve both successful classifications and incorrect predictions.
  • Record the supporting source-code evidence and any uncertainty associated with the result.
  • Prepare the correlated findings for final validation.

Tools : Python + Pandas + SQLite + Scikit-learn

STEP 17

Validate Detection Performance and Review Errors

  • Evaluate the detection workflow using held-out public dataset records and controlled test samples.
  • Compare the model predictions with the available ground-truth labels.
  • Review true positives, true negatives, false positives, and false negatives where the evaluation data supports those measurements.
  • Determine whether the simulated suspicious pattern is detected and whether benign code is incorrectly flagged.
  • Review possible limitations associated with dataset quality, code similarity, model input length, and differences between public samples and the laboratory test package.
  • Document the findings and avoid generalizing from a single controlled test to all malicious Python packages.
Tools: Python + CodeBERT + PyTorch + Scikit-learn + Pandas
STEP 18

Complete the Package Security Assessment

  • Consolidate the dataset details, preprocessing configuration, CodeBERT training settings, and evaluation results.
  • Document the controlled malicious-code injection scenario and the known test condition.
  • Record the source-code evidence, model predictions, and classification metrics.
  • Identify samples that require further security investigation.
  • Document model limitations, false-positive and false-negative results, and any dataset compatibility issues.
  • Prepare the final assessment report with evidence-supported findings and recommendations for improving the detection workflow.
  • Ensure that the final report distinguishes a suspicious code classification from confirmed malicious behavior.
Tools: Python + CodeBERT + PyTorch + Pandas + Scikit-learn + SQLite + Ubuntu Linux + Kali Linux

Outcome

An isolated Ubuntu and Kali Linux laboratory is prepared for controlled third-party Python package security assessment using VirtualBox.

An existing public software-package security dataset is obtained and inspected to determine whether it contains suitable benign and malicious source-code samples for CodeBERT-based classification.

The selected source-code records are preprocessed and converted into tokenized inputs compatible with the CodeBERT model.

CodeBERT is fine-tuned using labelled benign and malicious code samples to learn patterns relevant to the intended source-code classification task.

The trained model is evaluated using held-out records, providing measurable classification results and identifying false-positive and false-negative cases.

A controlled Python test package is prepared, and a harmless simulated malicious-code pattern is introduced to reproduce the intended software supply-chain threat scenario without executing actual malware.

The modified package source code is processed by the trained CodeBERT model, which generates a classification result for comparison with the known test condition.

The model predictions are correlated with source-code evidence and controlled test information to determine whether the simulated suspicious pattern is identified.

The detection workflow is evaluated using available reference labels and controlled laboratory evidence, while dataset limitations, model errors, and generalization constraints are documented.

The complete workflow demonstrates how CodeBERT-based source-code classification can support pre-installation malicious-code screening for third-party Python packages. Suspicious samples are flagged for security review, while actual package rejection or installation blocking requires a separate approval or enforcement mechanism.