Latent-factor method

文章介绍了潜在因子方法在电影推荐系统中的应用,通过用户和电影的潜在因子矩阵进行匹配,预测用户喜好并进行推荐。该方法包括矩阵分解、交替最小二乘法和梯度下降法来优化模型,以最小化预测评分与实际评分的误差。

Latent-factor method

 上课所提到的电影推荐算法通过找到用户A的相似用户B进而向A推荐B喜欢的电影或找到A喜欢的电影C的相似电影来做推荐。而潜在因子方法是通过用户的潜在因子矩阵得知用户的电影偏好,通过电影的潜在因子矩阵得知电影的风格类型,两者相匹配得到用户喜欢的电影。
 用具体例子说明潜在因子矩阵:
 假设电影的类型分为恐怖,喜剧,科幻,用0~1范围内的数字表示用户对电影的喜欢程度或电影的符合程度,0表示不感兴趣或不符合,1表示非常喜欢或非常符合。那么用户A和B对各类型的喜欢程度可能如下:

恐怖喜剧科幻
A0.90.10.7
B00.90.3

 可以看出用户A喜欢恐怖、科幻的电影,而B更喜欢喜剧电影。
 假设电影C、D分别为科幻恐怖电影和喜剧电影,那么它们的符合程度可能如下:

恐怖喜剧科幻
C0.800.8
D00.90.1

 将用户表里的每一行视为一个向量pu\mathbf{p}_upu,电影表的每一行视为一个向量qi\mathbf{q}_iqi,它们的内积puTqi\mathbf{p}_u^T\mathbf{q}_ipuTqi可以反映用户的喜欢程度。
 例如用户A对C的喜欢程度:paTqc=0.9∗0.8+0.7∗0.8=1.28\mathbf{p}_a^T\mathbf{q}_c=0.9*0.8+0.7*0.8=1.28paTqc=0.90.8+0.70.8=1.28,A对D的喜欢程度:paTqd=0.1∗0.9+0.7∗0.1=0.16\mathbf{p}_a^T\mathbf{q}_d=0.1*0.9+0.7*0.1=0.16paTqd=0.10.9+0.70.1=0.16,用户B对C的喜欢程度:pbTqc=0.3∗0.8=0.24\mathbf{p}_b^T\mathbf{q}_c=0.3*0.8=0.24pbTqc=0.30.8=0.24,B对D的喜欢程度:pbTqd=0.9∗0.9+0.3∗0.1=0.84\mathbf{p}_b^T\mathbf{q}_d=0.9*0.9+0.3*0.1=0.84pbTqd=0.90.9+0.30.1=0.84。可以看出A更喜欢C,B更喜欢D。推荐系统就能利用这些内积来进行推荐。潜在因子矩阵即这两张表的矩阵形式P\mathbf{P}PQ\mathbf{Q}Q
 实际中我们不能直接获得潜在因子,而是获得用户对电影的总评价。如:

CD
A1.280.16
B0.240.84

 其矩阵形式记作矩阵R\mathbf{R}R。而且这个表往往大且稀疏,因为用户很多,但用户不是常常都会对电影做出评价。潜在因子方法所做的就是将矩阵R分解为潜在因子矩阵P和Q,即R=PQ\mathbf{R}=\mathbf{P}\mathbf{Q}R=PQ
 首先定义R矩阵在(u,i)位置上的ruir_{ui}rui为用户u对电影i的感兴趣程度,而r^ui\hat{r}_{ui}r^ui为预测,我们通过潜在因子做出预测:
r^ui=puTqi=∑kKpukqki\hat{r}_{ui}=\mathbf{p}_u^T\mathbf{q}_i=\sum\limits_k^Kp_{uk}q_{ki}r^ui=puTqi=kKpukqki
pu\mathbf{p}_upuqi\mathbf{q}_iqi为潜在因子矩阵P,Q的一行,pukp_{uk}puk表示用户u对电影分类k的喜欢程度,qkiq_{ki}qki表示电影i对k分类的匹配程度,K为总类数。
 我们希望用户的评价R\mathbf{R}R和我们的预测R^\mathbf{\hat{R}}R^接近,可以通过最小化损失函数,损失函数L选择均方误差MSE:
min⁡P,QL=∑(u,i)(rui−puTqi)2\min\limits_{P,Q}L=\sum\limits_{(u,i)}(r_{ui}-\mathbf{p}_u^T\mathbf{q}_i)^2P,QminL=(u,i)(ruipuTqi)2
 损失函数也可以加入正则化项防止过拟合,加入后如下:
L=∑(u,i)(rui−puTqi)2+λ∑u∣∣pu∣∣2+λ∑i∣∣qi∣∣2L = \sum\limits_{(u,i)}(r_{ui}-\mathbf{p}_u^T\mathbf{q}_i)^2+\lambda\sum\limits_u||\mathbf{p}_u||^2+\lambda\sum\limits_i||\mathbf{q}_i||^2L=(u,i)(ruipuTqi)2+λu∣∣pu2+λi∣∣qi2

求解方法

交替最小二乘法

 由于矩阵P和Q都未知,都需要求解,所以我们可以在求解P时固定Q,转换成最小二乘法问题,反之求Q时固定P,交替执行来求解直至误差满足条件或到达迭代上限。
 具体过程如下:
 1.指定Q\mathbf{Q}Q初值Q0\mathbf{Q}_0Q0,可以随机生成
 2.固定Q0\mathbf{Q}_0Q0,求解P0\mathbf{P}_0P0
 3.固定P0\mathbf{P}_0P0,求解Q1\mathbf{Q}_1Q1
 4.固定Q1\mathbf{Q}_1Q1,求解P1\mathbf{P}_1P1
 …(不断重复)
 5.满足误差需求或迭代上限,迭代结束。

 具体过程:
 固定Q,求解P时,min⁡P,QL\min\limits_{P,Q}LP,QminL可以转化为:
min⁡P[∑u,i(rui−puTqi)2]+λ∑u∣∣pu∣∣2=∑umin⁡P[∑i(rui−puTqi)2]+λ∣∣pu∣∣2]\min\limits_P[\sum\limits_{u,i}(r_{ui}-\mathbf{p}_u^T\mathbf{q}_i)^2]+\lambda\sum\limits_{u}||\mathbf{p}_u||^2=\sum\limits_u\min\limits_P[\sum\limits_i(r_{ui}-\mathbf{p}_u^T\mathbf{q}_i)^2]+\lambda||\mathbf{p}_u||^2]Pmin[u,i(ruipuTqi)2]+λu∣∣pu2=uPmin[i(ruipuTqi)2]+λ∣∣pu2]
 令lu(pu)=∑i(rui−puTqi)2+λ∣∣pu∣∣2l_u(\mathbf{p}_u)=\sum\limits_i(r_{ui}-\mathbf{p}_u^T\mathbf{q_i})^2+\lambda||\mathbf{p}_u||^2lu(pu)=i(ruipuTqi)2+λ∣∣pu2
 问题转化为最小化lu(pu)l_u(\mathbf{p}_u)lu(pu)
 求偏导得:
∂lu∂pu=2(∑ipuTqiqi−∑iruiqi+λpu)\frac{\partial l_u}{\partial \mathbf{p}_u}=2(\sum\limits_i\mathbf{p}_u^T\mathbf{q}_i\mathbf{q}_i-\sum\limits_ir_{ui}\mathbf{q}_i+\lambda\mathbf{p}_u)pulu=2(ipuTqiqiiruiqi+λpu)
 令偏导值为0,有:
(∑iqiqiT+λI)pu=∑iruiqi(\sum\limits_i\mathbf{q}_i\mathbf{q}_i^T+\lambda\mathbf{I})\mathbf{p}_u=\sum\limits_ir_{ui}\mathbf{q}_i(iqiqiT+λI)pu=iruiqi
(QQT+λI)pu=Qru(\mathbf{Q}\mathbf{Q}^T+\lambda\mathbf{I})\mathbf{p}_u=\mathbf{Q}\mathbf{r}_u(QQT+λI)pu=Qru
pu=(QQT+λI)−1Qru\mathbf{p}_u=(\mathbf{Q}\mathbf{Q}^T+\lambda\mathbf{I})^{-1}\mathbf{Q}\mathbf{r}_upu=(QQT+λI)1Qru
 求出每一行pu\mathbf{p}_upu就可以得到P\mathbf{P}P
 固定P则可以得到:
qi=(PPT+λI)−1Pri\mathbf{q}_i=(\mathbf{P}\mathbf{P}^T+\lambda\mathbf{I})^{-1}\mathbf{P}\mathbf{r}_iqi=(PPT+λI)1Pri

梯度下降法

 也可以通过梯度下降法求解。使用梯度下降算法:
 1.求L的偏导
∂L∂puk=−2(rui−∑k=1Kpukqki)qki+2λpuk\frac{\partial L}{\partial p_{uk}}=-2(r_{ui}-\sum\limits_{k=1}^Kp_{uk}q_{ki})q_{ki}+2\lambda p_{uk}pukL=2(ruik=1Kpukqki)qki+2λpuk
∂L∂qki=−2(rui−∑k=1Kpukqki)puk+2λpki\frac{\partial L}{\partial q_{ki}}=-2(r_{ui}-\sum\limits_{k=1}^Kp_{uk}q_{ki})p_{uk}+2\lambda p_{ki}qkiL=2(ruik=1Kpukqki)puk+2λpki
 转换成对向量求偏导
∂L∂pu=∑i2(puTqi−rui)qi+2λpu\frac{\partial L}{\partial \mathbf{p}_u}=\sum\limits_i2(\mathbf{p}_u^T\mathbf{q}_i-r_{ui})\mathbf{q}_i+2\lambda \mathbf{p}_upuL=i2(puTqirui)qi+2λpu
 对qi\mathbf{q}_iqi类似

 2.迭代更新
pu=pu−α∂L∂pu\mathbf{p}_u=\mathbf{p}_u-\alpha\frac{\partial L}{\partial \mathbf{p}_u}pu=puαpuL
 对qi\mathbf{q}_iqi类似
 其中α\alphaα为学习率,λ\lambdaλ为正则化系数。

代码实现
import numpy as np
import pandas as pd
 

# R:评分矩阵
# K:电影种类数
# epochs: 最大迭代次数
# alpha:学习率
# lamda:正则化系数
# P:用户潜在因子矩阵
# Q:电影潜在因子矩阵
# M:用户数
# N:电影数

def LFM( R, K=3, epochs=1000, alpha=0.0001, lamda=0.001 ):
#     初始化
    M = len(R)
    N = len(R[0])
    P = np.random.rand(M, K)
    Q = np.random.rand(K, N)
    
    for epoch in range(epochs):
        for u in range(M):
            for i in range(N):
                if R[u][i] > 0:
                    eui = np.dot( P[u,:], Q[:,i] ) - R[u][i]
                    for k in range(K):
                        P[u][k] = P[u][k] - alpha * ( 2 * eui * Q[k][i] + 2 * lamda * P[u][k] )
                        Q[k][i] = Q[k][i] - alpha * ( 2 * eui * P[u][k] + 2 * lamda * Q[k][i] )

        R_ = np.dot( P, Q )
        
        Loss = 0
        for u in range(M):
            for i in range(N):
                if R[u][i] > 0:
                    Loss += ( np.dot( P[u,:], Q[:,i] ) - R[u][i] ) ** 2
                    # 加上正则化项
                    for k in range(K):
                        Loss += lamda * ( P[u][k] ** 2 + Q[k][i] ** 2 )
        if Loss < 0.0001:
            break
        
    return P, Q.T, Loss

测试:
使用了上课的例子

在这里插入图片描述

R=[[5,4,4,0,5],[0,3,5,3,4],[5,2,0,2,3],
   [0,2,3,1,2],[4,0,5,4,5],[5,3,0,3,5],
   [3,2,3,2,0],[5,3,4,0,5],[4,2,5,4,0],
   [5,0,5,3,4]]
R = np.array(R)

K = 5
epochs = 5000
alpha = 0.0003
lamda = 0.001
P, Q, Loss = LFM(R, K, epochs, alpha, lamda)
 
print(P)
print(Q)
print(Loss)
 
R_ = P.dot(Q.T)
 
print(R)
print(R_)

结果如下:

在这里插入图片描述

""" Outlier Detection Toolbox ========================= This is a single-file distribution (for ease of preview) of a production-grade outlier/anomaly detection toolbox intended to be split into a small package: outlier_detection/ ├── __init__.py ├── utils.py ├── statistical.py ├── distance_density.py ├── model_based.py ├── deep_learning.py ├── ensemble.py ├── visualization.py └── cli.py --- NOTE --- This code block contains *all* modules concatenated (with file headers) so you can preview and copy each file out into separate .py files. When you save them as separate files the package will work as expected. Design goals (what you asked for): - Detailed, well-documented functions (purpose, math, applicability, edge-cases) - Robust handling of NaNs, constant columns, categorical data - Functions return structured metadata + masks + scores so you can inspect - Utilities for ensemble combining methods and producing a readable report - Optional deep learning methods (AutoEncoder/VAE) with clear dependency instructions and graceful error messages if libraries are missing. Dependencies (recommended): pip install numpy pandas scipy scikit-learn matplotlib joblib tensorflow>=2.0 If you prefer PyTorch for deep models you can adapt deep_learning.py accordingly. """ # --------------------------- # File: outlier_detection/__init__.py # --------------------------- __version__ = "0.1.0" # make it easy to import core helpers from typing import Dict from .utils import ensure_dataframe, OutlierResult, summarize_results, recommend_methods from .statistical import z_score_method, modified_z_score, iqr_method, grubbs_test from .distance_density import lof_method, mahalanobis_method, dbscan_method, knn_distance_method from .model_based import ( isolation_forest_method, one_class_svm_method, pca_reconstruction_error, gmm_method, elliptic_envelope_method, ) # deep_learning module is optional (heavy dependency) try: from .deep_learning import autoencoder_method, vae_method except Exception: # graceful: user may not have TF installed; import will raise at use time autoencoder_method = None vae_method = None from .ensemble import ensemble_methods, aggregate_scores from .visualization import plot_boxplot, plot_pair_scatter __all__ = [ "__version__", "ensure_dataframe", "OutlierResult", "summarize_results", "recommend_methods", "z_score_method", "modified_z_score", "iqr_method", "grubbs_test", "lof_method", "mahalanobis_method", "dbscan_method", "knn_distance_method", "isolation_forest_method", "one_class_svm_method", "pca_reconstruction_error", "gmm_method", "elliptic_envelope_method", "autoencoder_method", "vae_method", "ensemble_methods", "aggregate_scores", "plot_boxplot", "plot_pair_scatter", ] # --------------------------- # File: outlier_detection/utils.py # --------------------------- """ Utilities for the outlier detection package. Key responsibilities: - Input validation and type normalization - Handling numeric / categorical separation - Standardization and robust scaling helpers - A consistent result object shape used by all detectors """ from typing import Dict, Any, Tuple, Optional, List import numpy as np import pandas as pd import logging logger = logging.getLogger(__name__) # A simple, documented result schema for detector functions. # Each detector returns a dict with these keys (guaranteed): # - 'mask': pd.Series[bool] same index as input rows; True means OUTLIER # - 'score': pd.Series or pd.DataFrame numeric score (bigger usually means more anomalous) # - 'method': short string # - 'params': dict of parameters used # - 'explanation': short textual note about interpretation OutlierResult = Dict[str, Any] def ensure_dataframe(X) -> pd.DataFrame: """ Convert input into a pandas DataFrame with a stable integer index. Accepts: pd.DataFrame, np.ndarray, list-of-lists, pd.Series. Returns DataFrame with numeric column names if necessary. """ if isinstance(X, pd.DataFrame): df = X.copy() elif isinstance(X, pd.Series): df = X.to_frame() else: # try to coerce df = pd.DataFrame(X) # if no index or non-unique, reset if df.index is None or not df.index.is_unique: df = df.reset_index(drop=True) # name numeric columns if unnamed df.columns = [str(c) for c in df.columns] return df def numeric_only(df: pd.DataFrame, return_cols: bool = False) -> pd.DataFrame: """ Select numeric columns and warn if non-numeric columns are dropped. If no numeric columns found raises ValueError. """ df = ensure_dataframe(df) numeric_df = df.select_dtypes(include=["number"]).copy() non_numeric = [c for c in df.columns if c not in numeric_df.columns] if non_numeric: logger.debug("Dropping non-numeric columns for numeric-only detectors: %s", non_numeric) if numeric_df.shape[1] == 0: raise ValueError("No numeric columns available for numeric detectors. Consider encoding categoricals.") if return_cols: return numeric_df, list(numeric_df.columns) return numeric_df def handle_missing(df: pd.DataFrame, strategy: str = "drop", fill_value: Optional[float] = None) -> pd.DataFrame: """ Handle missing values in data before passing to detectors. Parameters ---------- df : DataFrame strategy : {'drop', 'mean', 'median', 'zero', 'constant', 'keep'} - 'drop' : drop rows with any NaN (useful when most values are present) - 'mean' : fill numeric columns with mean - 'median' : fill numeric with median - 'zero' : fill with 0 - 'constant' : fill with supplied fill_value - 'keep' : keep NaNs (many detectors can handle NaN rows implicitly) fill_value : numeric (used when strategy=='constant') Returns ------- DataFrame cleaned according to strategy. Original index preserved. Notes ----- - Some detectors (LOF, IsolationForest) do NOT accept NaNs; choose strategy accordingly. """ df = df.copy() if strategy == "drop": return df.dropna(axis=0, how="any") elif strategy == "mean": return df.fillna(df.mean()) elif strategy == "median": return df.fillna(df.median()) elif strategy == "zero": return df.fillna(0) elif strategy == "constant": if fill_value is None: raise ValueError("fill_value must be provided for strategy='constant'") return df.fillna(fill_value) elif strategy == "keep": return df else: raise ValueError(f"Unknown missing value strategy: {strategy}") def robust_scale(df: pd.DataFrame) -> pd.DataFrame: """ Scale numeric columns using median and IQR (robust to outliers). Returns a DataFrame of same shape with scaled values. """ df = numeric_only(df) med = df.median() q1 = df.quantile(0.25) q3 = df.quantile(0.75) iqr = q3 - q1 # avoid division by zero iqr_replaced = iqr.replace(0, 1.0) return (df - med) / iqr_replaced def create_result(mask: pd.Series, score: pd.Series, method: str, params: Dict[str, Any], explanation: str) -> OutlierResult: """ Wrap mask + score into the standard result dict. """ # ensure index alignment if not mask.index.equals(score.index): # try to reindex score = score.reindex(mask.index) return { "mask": mask.astype(bool), "score": score, "method": method, "params": params, "explanation": explanation, } def summarize_results(results: Dict[str, OutlierResult]) -> pd.DataFrame: """ Given a dict of results keyed by method name, return a single DataFrame where each column is that method's boolean flag and another column is the score (if numeric). Also returns a short per-row summary like how many detectors flagged the row. """ # Collect masks and scores masks = {} scores = {} for k, r in results.items(): masks[f"{k}_flag"] = r["mask"].astype(int) # flatten score: if DataFrame use mean across columns sc = r["score"] if isinstance(sc, pd.DataFrame): sc = sc.mean(axis=1) scores[f"{k}_score"] = sc masks_df = pd.DataFrame(masks) scores_df = pd.DataFrame(scores) combined = pd.concat([masks_df, scores_df], axis=1) combined.index = next(iter(results.values()))["mask"].index combined["n_flags"] = masks_df.sum(axis=1) combined["any_flag"] = combined["n_flags"] > 0 return combined def recommend_methods(X: pd.DataFrame) -> List[str]: """ Heuristic recommender: returns a short list of methods to try depending on data shape. Rules (simple heuristics): - single numeric column: ['iqr', 'modified_z'] - low-dimensional (n_features <= 10) and numeric: ['mahalanobis','lof','isolation_forest'] - high-dimensional (n_features > 10): ['isolation_forest','pca','autoencoder'] """ df = ensure_dataframe(X) n_features = df.select_dtypes(include=["number"]).shape[1] if n_features == 0: raise ValueError("No numeric features to recommend methods for") if n_features == 1: return ["iqr", "modified_z"] elif n_features <= 10: return ["mahalanobis", "lof", "isolation_forest"] else: return ["isolation_forest", "pca", "autoencoder"] # --------------------------- # File: outlier_detection/statistical.py # --------------------------- """ Statistical / univariate outlier detectors. Each function focuses on single-dimension input (pd.Series) or will operate column-wise if given a DataFrame (then returns DataFrame of scores / masks). """ from typing import Union import numpy as np import pandas as pd from scipy import stats from .utils import create_result, numeric_only def _as_series(x: Union[pd.Series, pd.DataFrame], col: str = None) -> pd.Series: if isinstance(x, pd.DataFrame): if col is None: raise ValueError("If passing DataFrame, must pass column name") return x[col] return x def z_score_method(x: Union[pd.Series, pd.DataFrame], threshold: float = 3.0) -> OutlierResult: """ Z-Score method (univariate) Math: z = (x - mean) / std Flag where |z| > threshold. Applicability: single numeric column, approximately normal distribution. Not robust to heavy-tailed distributions. Returns OutlierResult with score = |z| (higher => more anomalous). """ if isinstance(x, pd.DataFrame): # apply per-column and return a DataFrame score masks = pd.DataFrame(index=x.index) scores = pd.DataFrame(index=x.index) for c in x.columns: res = z_score_method(x[c], threshold=threshold) masks[c] = res["mask"].astype(int) scores[c] = res["score"] # Derive a combined mask: any column flagged mask_any = masks.sum(axis=1) > 0 combined_score = scores.mean(axis=1) return create_result(mask_any, combined_score, "z_score_dataframe", {"threshold": threshold}, "Applied z-score per-column and combined by mean score and any-flag") s = x.dropna() if s.shape[0] == 0: mask = pd.Series([False]*len(x), index=x.index) score = pd.Series([0.0]*len(x), index=x.index) return create_result(mask, score, "z_score", {"threshold": threshold}, "Empty or all-NaN series") mu = s.mean() sigma = s.std(ddof=0) if sigma == 0: score = pd.Series(0.0, index=x.index) mask = pd.Series(False, index=x.index) explanation = "Zero variance: no z-score possible" return create_result(mask, score, "z_score", {"threshold": threshold}, explanation) z = (x - mu) / sigma absz = z.abs() mask = absz > threshold score = absz.fillna(0.0) explanation = f"z-score with mean={mu:.4g}, std={sigma:.4g}; flag |z|>{threshold}" return create_result(mask, score, "z_score", {"threshold": threshold}, explanation) def modified_z_score(x: Union[pd.Series, pd.DataFrame], threshold: float = 3.5) -> OutlierResult: """ Modified Z-score using median and MAD (robust to extreme values). Formula: M_i = 0.6745 * (x_i - median) / MAD Where MAD = median(|x_i - median|) Recommended threshold: 3.5 (common in literature) """ if isinstance(x, pd.DataFrame): masks = pd.DataFrame(index=x.index) scores = pd.DataFrame(index=x.index) for c in x.columns: res = modified_z_score(x[c], threshold=threshold) masks[c] = res["mask"].astype(int) scores[c] = res["score"] mask_any = masks.sum(axis=1) > 0 combined_score = scores.mean(axis=1) return create_result(mask_any, combined_score, "modified_z_dataframe", {"threshold": threshold}, "Applied modified z per-column and combined") s = x.dropna() if len(s) == 0: return create_result(pd.Series(False, index=x.index), pd.Series(0.0, index=x.index), "modified_z", {"threshold": threshold}, "empty") med = np.median(s) mad = np.median(np.abs(s - med)) if mad == 0: # all equal or too small score = pd.Series(0.0, index=x.index) mask = pd.Series(False, index=x.index) return create_result(mask, score, "modified_z", {"threshold": threshold}, "mad==0: no variation") M = 0.6745 * (x - med) / mad score = M.abs().fillna(0.0) mask = score > threshold return create_result(mask, score, "modified_z", {"threshold": threshold, "median": med, "mad": mad}, "Robust modified z-score; higher => more anomalous") def iqr_method(x: Union[pd.Series, pd.DataFrame], k: float = 1.5) -> OutlierResult: """ IQR (boxplot) method. Flags points outside [Q1 - k*IQR, Q3 + k*IQR]. k=1.5 is common; use larger k for fewer false positives. """ if isinstance(x, pd.DataFrame): masks = pd.DataFrame(index=x.index) scores = pd.DataFrame(index=x.index) for c in x.columns: res = iqr_method(x[c], k=k) masks[c] = res["mask"].astype(int) scores[c] = res["score"] mask_any = masks.sum(axis=1) > 0 combined_score = scores.mean(axis=1) return create_result(mask_any, combined_score, "iqr_dataframe", {"k": k}, "Applied IQR per column") s = x.dropna() if s.shape[0] == 0: return create_result(pd.Series(False, index=x.index), pd.Series(0.0, index=x.index), "iqr", {"k": k}, "empty") q1 = np.percentile(s, 25) q3 = np.percentile(s, 75) iqr = q3 - q1 lower = q1 - k * iqr upper = q3 + k * iqr mask = (x < lower) | (x > upper) # score: distance from nearest fence normalized by iqr (if iqr==0 use abs distance) if iqr == 0: score = (x - q1).abs().fillna(0.0) else: score = pd.Series(0.0, index=x.index) score[x < lower] = ((lower - x[x < lower]) / (iqr + 1e-12)) score[x > upper] = ((x[x > upper] - upper) / (iqr + 1e-12)) return create_result(mask.fillna(False), score.fillna(0.0), "iqr", {"k": k, "q1": q1, "q3": q3}, f"IQR fences [{lower:.4g}, {upper:.4g}]") def grubbs_test(x: Union[pd.Series, pd.DataFrame], alpha: float = 0.05) -> OutlierResult: """ Grubbs' test for a single outlier (requires approx normality). This test is intended to *detect one outlier at a time*. Use iteratively (recompute after removing detected outlier) if you expect multiple outliers, but be careful with multiplicity adjustments. Returns mask with at most one True (the most extreme point) unless alpha is very large. """ # For simplicity operate only on a single series. If DataFrame provided, # run per-column and combine (like other funcs) if isinstance(x, pd.DataFrame): masks = pd.DataFrame(index=x.index) scores = pd.DataFrame(index=x.index) for c in x.columns: res = grubbs_test(x[c], alpha=alpha) masks[c] = res["mask"].astype(int) scores[c] = res["score"] mask_any = masks.sum(axis=1) > 0 combined_score = scores.mean(axis=1) return create_result(mask_any, combined_score, "grubbs_dataframe", {"alpha": alpha}, "Applied Grubbs per column") from math import sqrt s = x.dropna() n = len(s) if n < 3: return create_result(pd.Series(False, index=x.index), pd.Series(0.0, index=x.index), "grubbs", {"alpha": alpha}, "n<3: cannot run") mean = s.mean() std = s.std(ddof=0) if std == 0: return create_result(pd.Series(False, index=x.index), pd.Series(0.0, index=x.index), "grubbs", {"alpha": alpha}, "zero std") # compute G statistic for max dev deviations = (s - mean).abs() max_idx = deviations.idxmax() G = deviations.loc[max_idx] / std # critical value from t-distribution t_crit = stats.t.ppf(1 - alpha / (2 * n), n - 2) G_crit = ((n - 1) / sqrt(n)) * (t_crit / sqrt(n - 2 + t_crit ** 2)) mask = pd.Series(False, index=x.index) mask.loc[max_idx] = G > G_crit score = pd.Series(0.0, index=x.index) score.loc[max_idx] = float(G) explanation = f"G={G:.4g}, Gcrit={G_crit:.4g}, alpha={alpha}" return create_result(mask, score, "grubbs", {"alpha": alpha, "G": G, "Gcrit": G_crit}, explanation) # --------------------------- # File: outlier_detection/distance_density.py # --------------------------- """ Distance and density based detectors (multivariate-capable). Functions generally accept a numeric DataFrame X and return OutlierResult. """ from sklearn.neighbors import LocalOutlierFactor, NearestNeighbors from sklearn.cluster import DBSCAN from sklearn.covariance import EmpiricalCovariance from .utils import ensure_dataframe, create_result, numeric_only def lof_method(X, n_neighbors: int = 20, contamination: float = 0.05) -> OutlierResult: """ Local Outlier Factor (LOF). Returns score = -lof. LOF API returns negative_outlier_factor_. We negate so higher score => more anomalous. Applicability: medium-dimensional data, clusters of varying density. Beware: LOF does not provide a predictable probabilistic threshold. """ X = ensure_dataframe(X) Xnum = numeric_only(X) if Xnum.shape[0] < 2: return create_result(pd.Series(False, index=X.index), pd.Series(0.0, index=X.index), "lof", {"n_neighbors": n_neighbors}, "too few samples") lof = LocalOutlierFactor(n_neighbors=min(n_neighbors, max(1, Xnum.shape[0]-1)), contamination=contamination) y = lof.fit_predict(Xnum) negative_factor = lof.negative_outlier_factor_ # higher -> more anomalous score = (-negative_factor) score = pd.Series(score, index=Xnum.index) mask = pd.Series(y == -1, index=Xnum.index) return create_result(mask, score, "lof", {"n_neighbors": n_neighbors, "contamination": contamination}, "LOF: higher score more anomalous") def knn_distance_method(X, k: int = 5) -> OutlierResult: """ k-NN distance based scoring: compute distance to k-th nearest neighbor. Points with large k-distance are candidate outliers. Returns score = k-distance (bigger => more anomalous). """ X = ensure_dataframe(X) Xnum = numeric_only(X) if Xnum.shape[0] < k + 1: return create_result(pd.Series(False, index=X.index), pd.Series(0.0, index=X.index), "knn_distance", {"k": k}, "too few samples") nbrs = NearestNeighbors(n_neighbors=k + 1).fit(Xnum) distances, _ = nbrs.kneighbors(Xnum) # distances[:, 0] is zero (self). take k-th neighbor kdist = distances[:, k] score = pd.Series(kdist, index=Xnum.index) # threshold: e.g., mean + 2*std thr = score.mean() + 2 * score.std() mask = score > thr return create_result(mask, score, "knn_distance", {"k": k, "threshold": thr}, "k-distance method") def mahalanobis_method(X, threshold_p: float = 0.01) -> OutlierResult: """ Mahalanobis distance based detection. Computes D^2 for each point. One can threshold by chi-square quantile with df=n_features: P(D^2 > thresh) = threshold_p. We return score = D^2. Applicability: data approximately elliptical (multivariate normal-ish). """ X = ensure_dataframe(X) Xnum = numeric_only(X) n, d = Xnum.shape if n <= d: # covariance ill-conditioned; apply shrinkage or PCA beforehand explanation = "n <= n_features: covariance may be singular, consider PCA or regularization" else: explanation = "" cov = EmpiricalCovariance().fit(Xnum) mahal = cov.mahalanobis(Xnum) score = pd.Series(mahal, index=Xnum.index) # default threshold: chi2 quantile from scipy.stats import chi2 thr = chi2.ppf(1 - threshold_p, df=d) if d > 0 else np.inf mask = score > thr return create_result(mask, score, "mahalanobis", {"threshold_p": threshold_p, "chi2_thr": float(thr)}, explanation) def dbscan_method(X, eps: float = 0.5, min_samples: int = 5) -> OutlierResult: """ DBSCAN clusterer: points labeled -1 are considered noise -> outliers. Applicability: non-spherical clusters, variable density; choose eps carefully. """ X = ensure_dataframe(X) Xnum = numeric_only(X) if Xnum.shape[0] < min_samples: return create_result(pd.Series(False, index=X.index), pd.Series(0.0, index=X.index), "dbscan", {"eps": eps, "min_samples": min_samples}, "too few samples") db = DBSCAN(eps=eps, min_samples=min_samples).fit(Xnum) labels = db.labels_ mask = pd.Series(labels == -1, index=Xnum.index) # score: negative of cluster size (noise points get score 1) # To keep simple: noise -> 1, else 0 score = pd.Series((labels == -1).astype(float), index=Xnum.index) return create_result(mask, score, "dbscan", {"eps": eps, "min_samples": min_samples}, "DBSCAN noise points flagged") # --------------------------- # File: outlier_detection/model_based.py # --------------------------- """ Model-based detectors: tree ensembles, SVM boundary, PCA reconstruction, GMM These functions are intended for multivariate numeric data. """ from sklearn.ensemble import IsolationForest from sklearn.svm import OneClassSVM from sklearn.decomposition import PCA from sklearn.mixture import GaussianMixture from sklearn.covariance import EllipticEnvelope from .utils import ensure_dataframe, numeric_only, create_result def isolation_forest_method(X, contamination: float = 0.05, random_state: int = 42) -> OutlierResult: """ Isolation Forest Returns mask and anomaly score (higher => more anomalous). Good general-purpose method for medium-to-high dimensional data. """ X = ensure_dataframe(X) Xnum = numeric_only(X) if Xnum.shape[0] < 2: return create_result(pd.Series(False, index=X.index), pd.Series(0.0, index=X.index), "isolation_forest", {"contamination": contamination}, "too few samples") iso = IsolationForest(contamination=contamination, random_state=random_state) iso.fit(Xnum) pred = iso.predict(Xnum) # decision_function: higher -> more normal, so we invert raw_score = -iso.decision_function(Xnum) score = pd.Series(raw_score, index=Xnum.index) mask = pd.Series(pred == -1, index=Xnum.index) return create_result(mask, score, "isolation_forest", {"contamination": contamination}, "IsolationForest: inverted decision function as score") def one_class_svm_method(X, kernel: str = "rbf", nu: float = 0.05, gamma: str = "scale") -> OutlierResult: """ One-Class SVM for boundary-based anomaly detection. Carefully tune nu and gamma; not robust to large datasets without subsampling. """ X = ensure_dataframe(X) Xnum = numeric_only(X) if Xnum.shape[0] < 5: return create_result(pd.Series(False, index=X.index), pd.Series(0.0, index=X.index), "one_class_svm", {"nu": nu}, "too few samples") ocsvm = OneClassSVM(kernel=kernel, nu=nu, gamma=gamma) ocsvm.fit(Xnum) pred = ocsvm.predict(Xnum) # decision_function: positive => inside boundary (normal); invert raw_score = -ocsvm.decision_function(Xnum) score = pd.Series(raw_score, index=Xnum.index) mask = pd.Series(pred == -1, index=Xnum.index) return create_result(mask, score, "one_class_svm", {"nu": nu, "kernel": kernel}, "OneClassSVM: invert decision_function for anomaly score") def pca_reconstruction_error(X, n_components: int = None, explained_variance: float = None, threshold: float = None) -> OutlierResult: """ PCA-based reconstruction error. If n_components not set, choose the minimum components to reach explained_variance (if provided). Otherwise uses min(n_features, 2). Score: squared reconstruction error per sample. Default threshold: mean+3*std. """ X = ensure_dataframe(X) Xnum = numeric_only(X) n, d = Xnum.shape if n == 0 or d == 0: return create_result(pd.Series(False, index=X.index), pd.Series(0.0, index=X.index), "pca_recon", {}, "empty data") if n_components is None: if explained_variance is not None: temp_pca = PCA(n_components=min(n, d)) temp_pca.fit(Xnum) cum = np.cumsum(temp_pca.explained_variance_ratio_) n_components = int(np.searchsorted(cum, explained_variance) + 1) n_components = max(1, n_components) else: n_components = min(2, d) pca = PCA(n_components=n_components) proj = pca.fit_transform(Xnum) recon = pca.inverse_transform(proj) errors = ((Xnum - recon) ** 2).sum(axis=1) score = pd.Series(errors, index=Xnum.index) if threshold is None: threshold = score.mean() + 3 * score.std() mask = score > threshold return create_result(mask, score, "pca_recon", {"n_components": n_components, "threshold": float(threshold)}, "PCA reconstruction error") def gmm_method(X, n_components: int = 2, contamination: float = 0.05) -> OutlierResult: """ Gaussian Mixture Model based anomaly score (log-likelihood). Score: negative log-likelihood (bigger => less likely => more anomalous). Threshold: empirical quantile of scores. """ X = ensure_dataframe(X) Xnum = numeric_only(X) if Xnum.shape[0] < n_components: return create_result(pd.Series(False, index=X.index), pd.Series(0.0, index=X.index), "gmm", {}, "too few samples") gmm = GaussianMixture(n_components=n_components) gmm.fit(Xnum) logprob = gmm.score_samples(Xnum) score = pd.Series(-logprob, index=Xnum.index) thr = score.quantile(1 - contamination) mask = score > thr return create_result(mask, score, {"n_components": n_components, "threshold": float(thr)}, "gmm", "GMM negative log-likelihood") def elliptic_envelope_method(X, contamination: float = 0.05) -> OutlierResult: """ EllipticEnvelope fits a robust covariance (assumes data come from a Gaussian-like ellipse). Flags outliers outside the ellipse. """ X = ensure_dataframe(X) Xnum = numeric_only(X) ee = EllipticEnvelope(contamination=contamination) ee.fit(Xnum) pred = ee.predict(Xnum) # decision_function: larger -> more normal; invert raw_score = -ee.decision_function(Xnum) score = pd.Series(raw_score, index=Xnum.index) mask = pd.Series(pred == -1, index=Xnum.index) return create_result(mask, score, "elliptic_envelope", {"contamination": contamination}, "EllipticEnvelope") # --------------------------- # File: outlier_detection/deep_learning.py # --------------------------- """ Deep learning based detectors (AutoEncoder, VAE). These require TensorFlow/Keras installed. If not present, importing this module will raise an informative ImportError. Design: a training function accepts X (numpy or DataFrame) and returns a callable `score_fn(X_new) -> pd.Series` plus a threshold selection helper. """ from typing import Callable import numpy as np import pandas as pd # lazy import to avoid hard TF dependency if user doesn't need it try: import tensorflow as tf from tensorflow.keras import layers, models, backend as K except Exception as e: raise ImportError("TensorFlow / Keras is required for deep_learning module. Install with `pip install tensorflow`. Error: " + str(e)) from .utils import ensure_dataframe, create_result def _build_autoencoder(input_dim: int, latent_dim: int = 8, hidden_units=(64, 32)) -> models.Model: inp = layers.Input(shape=(input_dim,)) x = inp for h in hidden_units: x = layers.Dense(h, activation='relu')(x) z = layers.Dense(latent_dim, activation='relu', name='latent')(x) x = z for h in reversed(hidden_units): x = layers.Dense(h, activation='relu')(x) out = layers.Dense(input_dim, activation='linear')(x) ae = models.Model(inp, out) return ae def autoencoder_method(X, latent_dim: int = 8, hidden_units=(128, 64), epochs: int = 50, batch_size: int = 32, validation_split: float = 0.1, threshold_method: str = 'quantile', threshold_val: float = 0.99, verbose: int = 0) -> OutlierResult: """ Train an AutoEncoder on X and compute reconstruction error as anomaly score. Parameters ---------- X : DataFrame or numpy array (numeric) threshold_method : 'quantile' or 'mean_std' threshold_val : if quantile -> e.g. 0.99 means top 1% flagged; if mean_std -> number of stds Returns ------- OutlierResult where score = reconstruction error and mask = score > threshold Notes ----- - This trains on the entire provided X. For actual anomaly detection, it's common to train the autoencoder only on "normal" data. If you have labels, pass only normal subset for training. - Requires careful scaling of inputs before training (robust_scale recommended). """ Xdf = ensure_dataframe(X) Xnum = Xdf.select_dtypes(include=['number']).fillna(0.0) input_dim = Xnum.shape[1] if input_dim == 0: return create_result(pd.Series(False, index=Xdf.index), pd.Series(0.0, index=Xdf.index), "autoencoder", {}, "no numeric columns") # convert to numpy arr = Xnum.values.astype(np.float32) ae = _build_autoencoder(input_dim=input_dim, latent_dim=latent_dim, hidden_units=hidden_units) ae.compile(optimizer='adam', loss='mse') ae.fit(arr, arr, epochs=epochs, batch_size=batch_size, validation_split=validation_split, verbose=verbose) recon = ae.predict(arr) errors = np.mean((arr - recon) ** 2, axis=1) score = pd.Series(errors, index=Xdf.index) if threshold_method == 'quantile': thr = float(score.quantile(threshold_val)) else: thr = float(score.mean() + threshold_val * score.std()) mask = score > thr return create_result(mask, score, "autoencoder", {"latent_dim": latent_dim, "threshold": thr}, "AutoEncoder reconstruction error") def vae_method(X, latent_dim: int = 8, hidden_units=(128, 64), epochs: int = 50, batch_size: int = 32, threshold_method: str = 'quantile', threshold_val: float = 0.99, verbose: int = 0) -> OutlierResult: """ Variational Autoencoder (VAE) anomaly detection. Implementation note: VAE is more involved; here we provide a simple implementation that uses reconstruction error as score. For strict probabilistic anomaly scoring one would use the ELBO / likelihood; this minimal implementation keeps it practical. """ # For brevity we reuse autoencoder path (a more complete VAE impl is possible) return autoencoder_method(X, latent_dim=latent_dim, hidden_units=hidden_units, epochs=epochs, batch_size=batch_size, threshold_method=threshold_method, threshold_val=threshold_val, verbose=verbose) # --------------------------- # File: outlier_detection/ensemble.py # --------------------------- """ Combine multiple detectors and produce an aggregated report. Provides strategies: union, intersection, majority voting, weighted sum of normalized scores. """ from typing import List, Dict import numpy as np import pandas as pd from .utils import ensure_dataframe, create_result def normalize_scores(scores: pd.DataFrame) -> pd.DataFrame: """Min-max normalize each score column to [0,1].""" sc = scores.copy() for c in sc.columns: col = sc[c] mn = col.min() mx = col.max() if mx == mn: sc[c] = 0.0 else: sc[c] = (col - mn) / (mx - mn) return sc def aggregate_scores(results: Dict[str, Dict], method: str = 'weighted', weights: Dict[str, float] = None) -> Dict: """ Aggregate multiple OutlierResult dictionaries produced by detectors. Returns an OutlierResult-like dict with: - mask (final boolean by threshold on aggregate score), - score (aggregate numeric score) Aggregation methods: - 'union' : any detector flagged => outlier (score = max of normalized scores) - 'intersection' : flagged by all detectors => outlier - 'majority' : flagged by >50% detectors - 'weighted' : weighted sum of normalized scores (weights provided or equal) """ # collect masks and scores into DataFrames masks = pd.DataFrame({k: v['mask'].astype(int) for k, v in results.items()}) raw_scores = pd.DataFrame({k: (v['score'] if isinstance(v['score'], pd.Series) else pd.Series(v['score'])) for k, v in results.items()}) raw_scores.index = masks.index norm_scores = normalize_scores(raw_scores) if method == 'union': agg_score = norm_scores.max(axis=1) elif method == 'intersection': agg_score = norm_scores.min(axis=1) elif method == 'majority': agg_score = masks.sum(axis=1) / max(1, masks.shape[1]) elif method == 'weighted': if weights is None: weights = {k: 1.0 for k in results.keys()} # align weights w = pd.Series({k: weights.get(k, 1.0) for k in results.keys()}) # make sure weights sum to 1 w = w / w.sum() agg_score = (norm_scores * w).sum(axis=1) else: raise ValueError("Unknown aggregation method") # default threshold: 0.5 mask = agg_score > 0.5 return create_result(mask, agg_score, f"ensemble_{method}", {"method": method}, "Aggregated ensemble score") def ensemble_methods(X, method_list: List[str] = None, method_params: Dict = None) -> Dict[str, Dict]: """ Convenience: run multiple detectors by name and return dict of results. method_list: list of names from ['iqr','modified_z','z_score','lof','mahalanobis','isolation_forest', ...] method_params: optional dict mapping method name to params """ from . import statistical, distance_density, model_based, deep_learning X = ensure_dataframe(X) if method_list is None: method_list = ['iqr', 'modified_z', 'isolation_forest', 'lof'] if method_params is None: method_params = {} results = {} for m in method_list: params = method_params.get(m, {}) try: if m == 'iqr': results[m] = statistical.iqr_method(X, **params) elif m == 'modified_z': results[m] = statistical.modified_z_score(X, **params) elif m == 'z_score': results[m] = statistical.z_score_method(X, **params) elif m == 'lof': results[m] = distance_density.lof_method(X, **params) elif m == 'mahalanobis': results[m] = distance_density.mahalanobis_method(X, **params) elif m == 'dbscan': results[m] = distance_density.dbscan_method(X, **params) elif m == 'knn': results[m] = distance_density.knn_distance_method(X, **params) elif m == 'isolation_forest': results[m] = model_based.isolation_forest_method(X, **params) elif m == 'one_class_svm': results[m] = model_based.one_class_svm_method(X, **params) elif m == 'pca': results[m] = model_based.pca_reconstruction_error(X, **params) elif m == 'gmm': results[m] = model_based.gmm_method(X, **params) elif m == 'elliptic': results[m] = model_based.elliptic_envelope_method(X, **params) elif m == 'autoencoder': results[m] = deep_learning.autoencoder_method(X, **params) else: logger.warning("Unknown method requested: %s", m) except Exception as e: logger.exception("Method %s failed: %s", m, e) return results # --------------------------- # File: outlier_detection/visualization.py # --------------------------- """ Simple plotting helpers for quick inspection. Note: plotting is intentionally minimal; for report-quality figures users can adapt styles. The functions return the matplotlib Figure object so they can be further customized. """ import matplotlib.pyplot as plt from .utils import ensure_dataframe def plot_boxplot(series: pd.Series, show: bool = True): df = ensure_dataframe(series) col = df.columns[0] fig, ax = plt.subplots() ax.boxplot(df[col].dropna()) ax.set_title(f"Boxplot: {col}") if show: plt.show() return fig def plot_pair_scatter(X, columns: list = None, show: bool = True): X = ensure_dataframe(X) if columns is not None: X = X[columns] cols = X.columns.tolist()[:4] # avoid huge plots fig, axes = plt.subplots(len(cols) - 1, len(cols) - 1, figsize=(4 * (len(cols) - 1), 4 * (len(cols) - 1))) for i in range(1, len(cols)): for j in range(i): ax = axes[i - 1, j] ax.scatter(X[cols[j]], X[cols[i]], s=8) ax.set_xlabel(cols[j]) ax.set_ylabel(cols[i]) fig.suptitle("Pairwise scatter (first 4 numeric cols)") if show: plt.show() return fig # --------------------------- # File: outlier_detection/cli.py # --------------------------- """ A very small CLI to run detectors on a CSV file and output a CSV report. Usage (example): python -m outlier_detection.cli detect input.csv output_report.csv --methods iqr,isolation_forest """ import argparse import pandas as pd from .ensemble import ensemble_methods, aggregate_scores def main(): parser = argparse.ArgumentParser(description='Outlier detection CLI') sub = parser.add_subparsers(dest='cmd') det = sub.add_parser('detect') det.add_argument('input_csv') det.add_argument('output_csv') det.add_argument('--methods', default='iqr,modified_z,isolation_forest,lof') args = parser.parse_args() df = pd.read_csv(args.input_csv) methods = args.methods.split(',') results = ensemble_methods(df, method_list=methods) agg = aggregate_scores(results, method='weighted') summary = pd.concat([pd.DataFrame({k: v['mask'].astype(int) for k, v in results.items()}), pd.DataFrame({k: v['score'] for k, v in results.items()})], axis=1) summary['ensemble_score'] = agg['score'] summary['ensemble_flag'] = agg['mask'].astype(int) summary.to_csv(args.output_csv, index=False) print(f"Wrote report to {args.output_csv}") if __name__ == '__main__': main()改成中文说明并返回代码给我
08-27
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