Order of work
- Validation design first. Folds that mirror deployment (time / group / stratified). Tuning on a leaky or unrepresentative split optimises the wrong thing.
- Baseline: library defaults + early stopping. Record the score and the best iteration.
- Fix the learning rate for search (0.05-0.1) and let early stopping choose the number of trees inside each fold.
- Capacity:
num_leaves(LightGBM) ormax_depth(XGBoost), and the minimum leaf size (min_child_samples/min_child_weight). These matter most. - Randomisation:
subsample(+subsample_freq=1in LightGBM),colsample_bytree. - Regularisation:
reg_lambda,reg_alpha,min_split_gain/gamma. Usually second-order. - 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.
- Confirm on the untouched holdout; compare with the untuned baseline.
Typical ranges
| Parameter | LightGBM | XGBoost | Notes |
|---|---|---|---|
| learning rate | 0.01-0.1 | 0.01-0.1 | fixed during search; lower for the final model |
| capacity | num_leaves 7-255 (log) | max_depth 3-10 | LightGBM: keep num_leaves < 2^max_depth if max_depth is set |
| min leaf size | min_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 sampling | subsample 0.5-1.0, subsample_freq 1 | subsample 0.5-1.0 | |
| column sampling | colsample_bytree 0.3-1.0 | colsample_bytree 0.3-1.0 | lower for many correlated features |
| L2 | reg_lambda 1e-3-30 (log) | reg_lambda 1e-3-30 (log) | |
| L1 | reg_alpha 1e-3-10 (log) | reg_alpha 1e-3-10 (log) | helps with many useless features |
| split gain | min_split_gain 0-1 | gamma 0-5 | scale depends on the loss |
| bins | max_bin 63-511 | max_bin 64-512 | more 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
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
| Budget | Method |
|---|---|
| < 30 trials | random search over the space above |
| 30-200 trials | TPE (Optuna) with pruning on intermediate CV scores |
| very expensive fits | successive halving / Hyperband on rows or trees |
See optuna-study-writer and hyperparameter-search-planner.
Small data (< ~5k rows)
- Raise
min_child_samples(20-100), lowernum_leaves(7-31) ormax_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_bin255 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.
anomaly-detection-model-builder
Build and evaluate anomaly detection for tabular, sensor and transaction data with few or no labels: define the anomaly type (point, contextual, collective), choose detectors (robust z-score/MAD and IQR rules, Mahalanobis with robust covariance, k-NN distance, LOF, Isolation Forest, one-class SVM, PCA reconstruction / autoencoders, forecasting residuals for time series), combine them by rank, explain each alert by its deviating features, set thresholds from an alert budget or the score distribution, and evaluate with precision@k, PR-AUC and recall on known incidents, or detector agreement when no labels exist. Includes pure-Python detectors (robust z, Mahalanobis, kNN, Isolation Forest, ensemble) and an evaluation script.
catboost-model-builder
Build CatBoost models that use its strengths correctly: raw categorical columns as cat_features (ordered target statistics, no manual encoding), text_features, Pool construction with NaN-safe categories, ordered boosting and has_time for temporal data, symmetric (oblivious) trees, overfitting detector with eval_set and use_best_model, losses for classification, regression (Quantile, Poisson, Tweedie) and ranking (YetiRank), class weights, monotone constraints, feature importance (PredictionValuesChange, LossFunctionChange) and SHAP values, GPU training and model export. Plans cat/text/numeric columns from a CSV and generates a runnable training script, and checks parameter sets for the conflicts CatBoost rejects (iterations vs n_estimators, Bayesian bootstrap with subsample, multiple class-weight options, depth > 16, use_best_model without eval_set).
categorical-encoding-selector
Choose and implement the right encoding for every categorical column given the model family and the data: one-hot (with infrequent-level grouping and handle_unknown), ordinal with an explicit order, cross-fitted target encoding (scikit-learn TargetEncoder, CatBoost ordered statistics, category_encoders inside CV), frequency/count encoding, feature hashing, native categorical support in LightGBM, HistGradientBoosting, XGBoost and CatBoost, prefix levels for codes (zip3, NAICS-2), and embeddings. Measures cardinality, rare-level share, unseen-level rate on a time-ordered holdout and target signal per column, emits the ColumnTransformer, and quantifies target-encoding leakage (in-sample vs out-of-fold vs holdout AUC).
classification-model-selector
Choose the right classification algorithm for tabular, text or mixed data and prove the choice with a fair bake-off: logistic regression (L2, L1, elastic net), linear SVM, naive Bayes, k-NN, RBF SVM, decision trees, random forest, extra trees, HistGradientBoosting, LightGBM, XGBoost, CatBoost, explainable boosting machines (EBM/GAM), points scorecards and MLPs, matched to data size, width, categorical and high-cardinality share, missingness, class imbalance, text, and constraints such as interpretability, monotonic constraints, calibrated probabilities, latency budgets and tiny deployable models. Ranks candidates with starting hyperparameters and cautions, then generates a bake-off script running every candidate on identical CV folds with per-fold metrics, fit time and prediction latency.
clustering-algorithm-selector
Choose the right clustering algorithm and check that clustering makes sense at all: cluster tendency (Hopkins statistic with a correlated-features caveat, nearest-neighbour isolation), then k-means / MiniBatchKMeans, Gaussian mixtures with BIC, agglomerative (Ward, average, complete, single) with dendrograms, DBSCAN, HDBSCAN, OPTICS, spectral clustering, BIRCH, mean shift, k-prototypes and k-modes for mixed or categorical data, and Gower distance, matched to data size, expected shapes, noise, varying density, known k, soft memberships, hierarchy and streaming. Covers preprocessing (scaling, encoding, dimensionality, distance metrics), validation (internal indices, bootstrap stability, external labels, business profiling) and assigning new points.
collaborative-filtering-implementer
Implement collaborative filtering recommenders that beat popularity: item-based kNN with cosine, Jaccard or asymmetric similarity, shrinkage, neighbourhood size, positive-only or mean-centred rating signals and 'because you liked X' explanations; implicit ALS with confidence weighting, BPR pairwise ranking and the closed-form EASE model in plain NumPy, tuned on a temporal validation split by recall@k and NDCG@k and refit on all data; plus user-kNN, explicit matrix factorisation, the implicit/LightFM libraries, hyperparameter ranges, cold-start fallbacks, scaling with sparse matrices and approximate nearest neighbours. Produces top-k lists in the format of the recommendation evaluator.