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Intermediate

ML Training: Splits, Evaluation and Reproducible Runs

Build a leakage-aware training workflow with explicit data splits, measured resource budgets, held-out evaluation and traceable artifacts.

ML engineersdata scientists

Workflow

  1. Define the prediction task and evaluation unit

    Write the target, prediction time, eligible population, decision use and a simple baseline. Identify repeated people, groups or time dependence before splitting rows. Record data version, label availability and the metric that reflects the intended task, including important error slices and excluded cases.

  2. Create and preserve the evaluation boundaries

    Choose random, stratified, grouped or chronological splitting according to the data-generating process. Use the allocation tool for whole-count planning only, then save actual row/group identities and inspect coverage. Fit preprocessing and feature selection within training boundaries; keep final evaluation data out of model and threshold choices.

  3. Build a small baseline and validation loop

    Implement the complete preprocessing and estimator pipeline, then run a small end-to-end training and prediction pass. Select a compatible validation method; the K-fold tool counts ordinary folds and their remainders but cannot choose the best k or enforce group isolation. Save the exact validation partitions used for comparisons.

  4. Benchmark resource and runtime assumptions

    Inventory the actual model’s unique parameters, resident weight/state components and representative batch shapes. Use parameter formulas only for matching architectures and record separate GPU memory components and reserve. Measure complete representative training throughput and overhead before extrapolating runtime; parameter count alone does not determine memory or speed.

  5. Train, select and evaluate once at the final boundary

    Record configuration, data and code versions, software/hardware, seeds and checkpoints. Compare candidates within the planned validation procedure, then evaluate the chosen pipeline on the reserved final data. For a numeric regression target, inspect actual/predicted pairs with R² and RMSE; use suitable different metrics for classification or other tasks.

  6. Package the pipeline and decision record

    Save preprocessing, model, target definition, feature schema and reference predictions together. Re-run inference from the saved artifact in a clean compatible environment and compare expected outputs. Report final metrics, slices, uncertainty and known limits; seeds alone do not guarantee identical results across platforms or library releases.

Tools Used

Checklist

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Define the prediction task and evaluation unit

Create and preserve the evaluation boundaries

Build a small baseline and validation loop

Benchmark resource and runtime assumptions

Train, select and evaluate once at the final boundary

Package the pipeline and decision record

Reference Materials

Avoiding preprocessing leakageStandard

Scikit-learn explains fitting preprocessing only on training data and keeping transformations consistent at evaluation and serving.

Reproducibility scopeStandard

PyTorch notes that reproducibility is not guaranteed across releases or platforms; retain the environment and actual validation evidence alongside seeds.

Training run manifestTable

Keep the following evidence with the actual version used for this task.

RecordIncludeCheck
DataVersion, labels, split identities and featuresNo future or held-out information used in fitting
RunCode, environment, shapes, seed and checkpointRepeat reference predictions
EvaluationMetric, baseline, slices and final boundarySeparate tuning from final assessment
  • Count unique tensors

    Shared weights can appear in multiple modules without representing separate storage.

  • Keep the simplest baseline

    A complex model needs evidence of value relative to a useful reference, not just a successful training run.