pnpxai-experiments/Dockerfile.wine_quality at main · OpenXAIProject/pnpxai-experiments · GitHub

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# Wine Quality Experiment Dockerfile
# Extends the base pnpxai-experiments image with additional XAI frameworks

# Use the base image from README
FROM seongun/ubuntu22.04-cuda12.2.2-cudnn8-pytorch2.1:base

# Set working directory
WORKDIR /root/pnpxai-experiments

# Reinstall pnpxai from exp/tab branch
RUN pip uninstall -y pnpxai && \
    pip install --no-cache-dir git+https://github.com/OpenXAIProject/pnpxai.git@exp/tab

# Install additional XAI frameworks for Wine Quality experiments
# Pin specific versions for reproducibility (verified on 2025-11-13)
# Note: shap<=0.44.0 required for OmniXAI v1.3.2 compatibility (output format changed in 0.45.0)
RUN pip install --no-cache-dir \
    captum==0.8.0 \
    scikit-learn==1.1.3 \
    pandas==2.3.3 \
    xgboost==3.1.1 \
    shap==0.44.0 \
    lime==0.2.0.1 \
    pyyaml==6.0 \
    tqdm==4.66.0 \
    ucimlrepo

# Install XAI frameworks from GitHub
# Pin to specific versions for reproducibility (verified on 2025-11-13)

# OmniXAI v1.3.2 - Salesforce's comprehensive XAI library
RUN pip install --no-cache-dir git+https://github.com/salesforce/OmniXAI.git@v1.3.2

# OpenXAI v0.1 - Standardized XAI evaluation framework
# Note: Uses latest commit as no version tags available
RUN pip install --no-cache-dir git+https://github.com/AI4LIFE-GROUP/OpenXAI.git

# Create separate virtual environment for AutoXAI
# AutoXAI code is mounted from experiments/scripts/lib/AutoXAI (not cloned in Docker)
# AutoXAI requires bayesian-optimization which needs numpy<2.0, but other frameworks need numpy>=2.0
# AutoXAI also requires aix360, which depends on xport (requires pandas<1.4) and cvxpy
RUN python -m venv /opt/autoxai_venv && \
    /opt/autoxai_venv/bin/pip install --upgrade pip && \
    /opt/autoxai_venv/bin/pip install --no-cache-dir \
    'numpy<2.0' \
    scikit-learn==1.1.3 \
    scikit-learn-extra \
    scikit-optimize \
    'pandas<1.4' \
    xgboost==3.1.1 \
    shap==0.49.1 \
    lime==0.2.0.1 \
    aix360 \
    xport \
    cvxpy \
    pyyaml==6.0 \
    tqdm==4.66.0 \
    bayesian-optimization \
    ucimlrepo && \
    /opt/autoxai_venv/bin/pip install --no-cache-dir git+https://github.com/OpenXAIProject/pnpxai.git@exp/tab

# Clean up pip cache to reduce image size
RUN pip cache purge

# Set default command
CMD ["/bin/bash"]