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Remedies

Reference for overfitting-underfitting-diagnoser · 61 lines

AI & Machine Learning / Classical Machine Learningv1.0.0Updated OCT 25 20263 references2 scripts

Overfitting

ModelStrongest levers first
LightGBMearly stopping; min_child_samples up; num_leaves down; feature_fraction/bagging_fraction < 1 (+ bagging_freq); lambda_l2; min_gain_to_split; max_bin down; lower learning rate + more rounds
XGBoostearly stopping; max_depth down; min_child_weight up; subsample, colsample_bytree < 1; reg_lambda, gamma (min split loss) up
CatBoostearly stopping (od_type="Iter", od_wait); depth down; l2_leaf_reg up; random_strength up; ordered boosting on small data
HistGradientBoostingearly_stopping=True; max_leaf_nodes down; min_samples_leaf up; l2_regularization
Random forest / extra treesmin_samples_leaf up; max_features down; max_depth; more trees only reduce variance from randomness
Decision treeccp_alpha (cost-complexity pruning) via the 1-SE rule; max_depth; min_samples_leaf
Linear / logisticlower C / higher alpha; L1 or elastic net to drop features; fewer one-hot levels (min_frequency)
SVMlower C; lower RBF gamma
k-NNlarger n_neighbors; feature selection (distance concentration in high dimensions)
MLPearly stopping; weight decay; dropout; smaller layers; more data/augmentation

Feature-side remedies for any model: drop ID-like and high-cardinality columns, target-encode with cross-fitting, remove features that only work on training rows (leakage), aggregate sparse categories.

Underfitting

ModelLevers
Boostingmore rounds (or higher learning rate); num_leaves/max_depth up; smaller min_child_samples; less L2
Random forestmin_samples_leaf=1; higher max_features
Linear / logisticsplines (SplineTransformer), interactions, log/ratio transforms, weaker penalty, or a tree model
SVMhigher C, higher gamma
k-NNsmaller n_neighbors, scaled features
Anynew informative features; check label noise (inter-annotator agreement); check the target definition

Early-stopping set-ups

python
# LightGBM
m = lgb.LGBMClassifier(n_estimators=10000, learning_rate=0.03)
m.fit(X_tr, y_tr, eval_set=[(X_va, y_va)], callbacks=[lgb.early_stopping(100), lgb.log_evaluation(0)])
# XGBoost (>= 2.0: constructor argument)
m = xgb.XGBClassifier(n_estimators=10000, learning_rate=0.03, early_stopping_rounds=100)
m.fit(X_tr, y_tr, eval_set=[(X_va, y_va)], verbose=False)
# CatBoost
m = CatBoostClassifier(iterations=10000, learning_rate=0.03, od_type="Iter", od_wait=100)
m.fit(X_tr, y_tr, eval_set=(X_va, y_va), use_best_model=True)
# scikit-learn
HistGradientBoostingClassifier(early_stopping=True, validation_fraction=0.1, n_iter_no_change=20)
  • The early-stopping set must not be the test set; inside CV use each fold's validation split, then refit on all data with about the mean best iteration x (1 + 1/k) for k folds.
  • Patience: about 5-10% of the expected rounds, never below 10 for noisy metrics.
  • Stop on the metric you care about (first_metric_only=True in LightGBM when several are logged).

Confirming a fix

FixCurve that confirms it
Regularisationgap at the best iteration shrinks, best validation unchanged or better
Early stoppingfinal validation = best validation; fewer rounds
More capacitytraining score up, validation up; the gap may widen a little
New featuresvalidation up at the same complexity; the validation curve's peak moves up
Simpler setting via 1-SEholdout score within noise of the best, model smaller/faster
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