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GBM Tuning Playbook

Reference for xgboost-lightgbm-tuner · 82 lines

AI & Machine Learning / Classical Machine Learningv1.0.0Updated OCT 25 20264 references2 scripts

Order of work

  1. Validation design first. Folds that mirror deployment (time / group / stratified). Tuning on a leaky or unrepresentative split optimises the wrong thing.
  2. Baseline: library defaults + early stopping. Record the score and the best iteration.
  3. Fix the learning rate for search (0.05-0.1) and let early stopping choose the number of trees inside each fold.
  4. Capacity: num_leaves (LightGBM) or max_depth (XGBoost), and the minimum leaf size (min_child_samples / min_child_weight). These matter most.
  5. Randomisation: subsample (+ subsample_freq=1 in LightGBM), colsample_bytree.
  6. Regularisation: reg_lambda, reg_alpha, min_split_gain / gamma. Usually second-order.
  7. Final fit: lower learning rate (e.g. half), more trees (early stopping on a validation split, or best_iteration x ratio x 1.1), train on all training data.
  8. Confirm on the untouched holdout; compare with the untuned baseline.

Typical ranges

ParameterLightGBMXGBoostNotes
learning rate0.01-0.10.01-0.1fixed during search; lower for the final model
capacitynum_leaves 7-255 (log)max_depth 3-10LightGBM: keep num_leaves < 2^max_depth if max_depth is set
min leaf sizemin_child_samples 5-1000 (log, ~0.1-1% of rows)min_child_weight 1-100 (log)raise for small/noisy data and rare positives
row samplingsubsample 0.5-1.0, subsample_freq 1subsample 0.5-1.0
column samplingcolsample_bytree 0.3-1.0colsample_bytree 0.3-1.0lower for many correlated features
L2reg_lambda 1e-3-30 (log)reg_lambda 1e-3-30 (log)
L1reg_alpha 1e-3-10 (log)reg_alpha 1e-3-10 (log)helps with many useless features
split gainmin_split_gain 0-1gamma 0-5scale depends on the loss
binsmax_bin 63-511max_bin 64-512more bins: finer splits, slower

gbm_param_advisor.py scales the leaf-size range to the row count and the positive count.

Learning rate vs trees

The product (learning_rate x n_trees) is roughly constant for a given fit quality. Halving the learning rate needs about twice the trees and usually gains a little accuracy. Searching at 0.05-0.1 and refitting at a lower rate is the standard compromise.

Early stopping inside CV

python
import lightgbm as lgb
from sklearn.model_selection import StratifiedKFold
scores, iters = [], []
for tr, va in StratifiedKFold(5, shuffle=True, random_state=0).split(X, y):
    m = lgb.LGBMClassifier(**params, n_estimators=10000)
    m.fit(X.iloc[tr], y.iloc[tr], eval_set=[(X.iloc[va], y.iloc[va])], eval_metric="auc",
          callbacks=[lgb.early_stopping(200, verbose=False)])
    scores.append(m.best_score_["valid_0"]["auc"]); iters.append(m.best_iteration_)

Early stopping on the same fold you score on is slightly optimistic (the stopping round is chosen on it). For a strict estimate carve an inner validation split from the training fold, or accept the small bias and confirm on a holdout.

Search method

BudgetMethod
< 30 trialsrandom search over the space above
30-200 trialsTPE (Optuna) with pruning on intermediate CV scores
very expensive fitssuccessive halving / Hyperband on rows or trees

See optuna-study-writer and hyperparameter-search-planner.

Small data (< ~5k rows)

  • Raise min_child_samples (20-100), lower num_leaves (7-31) or max_depth (3-5).
  • Strong subsampling and regularisation; repeated CV to reduce noise.
  • Compare against logistic regression and CatBoost: small data is where GBM defaults lose.

Large data (> ~5M rows)

  • Tune on a sample (10-20%), then refit on all data with more trees.
  • max_bin 255 default is fine; GPU (device="cuda" in XGBoost, device_type="gpu" in LightGBM) for big jobs.
  • Watch memory: free_raw_data, Dataset construction once, colsample_bytree < 1.

When tuning does not help

Typical gains over good defaults are 1-3% relative. If tuning moves nothing, the bottleneck is features, labels or the validation design, not hyperparameters.

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