본문으로 건너뛰기
cccskills
무료GitHub에 공개

bio-machine-learning-biomarker-discovery

Selects informative features for biomarker discovery using Boruta all-relevant selection, mRMR minimum redundancy, and LASSO regularization. Use when identifying biomarkers from high-dimensional omics data.

한국어 요약은 준비 중입니다. 원문 설명을 표시하고 있습니다.

설치 방법 보기

포함된 파일(4)

  • SKILL.md5.5 KB
  • examples/boruta_feature_selection.py1.9 KB
  • examples/lasso_biomarker.py2.1 KB
  • usage-guide.md1.9 KB

SKILL.md(원문)

설치하기 전에 에이전트에게 전달되는 지시 내용을 확인할 수 있습니다.

Version Compatibility

Reference examples tested with: numpy 1.26+, pandas 2.2+, scikit-learn 1.4+

Before using code patterns, verify installed versions match. If versions differ:

  • Python: pip show <package> then help(module.function) to check signatures

If code throws ImportError, AttributeError, or TypeError, introspect the installed package and adapt the example to match the actual API rather than retrying.

Feature Selection for Biomarker Discovery

"Find the best biomarkers in my omics data" → Select informative features using all-relevant selection (Boruta), minimum redundancy (mRMR), or regularization (LASSO) to identify candidate biomarkers.

  • Python: BorutaPy(rf, n_estimators='auto'), sklearn.linear_model.LassoCV()

Boruta All-Relevant Selection

Identifies all features that are significantly better than random (shadow features).

from boruta import BorutaPy
from sklearn.ensemble import RandomForestClassifier
import pandas as pd
import numpy as np

rf = RandomForestClassifier(n_estimators=100, n_jobs=-1, random_state=42)

# max_iter=100: Typically sufficient; increase to 200 if many features remain tentative
# perc=100: Use max of shadow features (default); lower for stricter selection
boruta = BorutaPy(rf, n_estimators='auto', max_iter=100, random_state=42, verbose=0)
boruta.fit(X.values, y)

selected = X.columns[boruta.support_]
tentative = X.columns[boruta.support_weak_]
print(f'Selected: {len(selected)}, Tentative: {len(tentative)}')

feature_ranks = pd.DataFrame({
    'feature': X.columns,
    'rank': boruta.ranking_,
    'selected': boruta.support_
}).sort_values('rank')

mRMR (Minimum Redundancy Maximum Relevance)

Selects features that are individually relevant but minimally redundant with each other.

from mrmr import mrmr_classif

# K: Number of features to select; start with 50-100 for omics
selected_features = mrmr_classif(X=X, y=pd.Series(y), K=50)
X_selected = X[selected_features]

LASSO Feature Selection

L1 regularization drives irrelevant coefficients to zero.

from sklearn.linear_model import LassoCV
from sklearn.preprocessing import StandardScaler

scaler = StandardScaler()
X_scaled = scaler.fit_transform(X)

# cv=5: Standard for selection; eps and n_alphas control alpha grid
lasso = LassoCV(cv=5, random_state=42)
lasso.fit(X_scaled, y)

selected_mask = lasso.coef_ != 0
selected = X.columns[selected_mask]
print(f'LASSO selected {len(selected)} features at alpha={lasso.alpha_:.4f}')

coefs = pd.Series(lasso.coef_, index=X.columns)
nonzero = coefs[coefs != 0].sort_values(key=abs, ascending=False)

Univariate Filtering (Pre-filter)

Reduce dimensionality before more expensive methods.

from sklearn.feature_selection import SelectKBest, f_classif, mutual_info_classif

# f_classif: Fast, assumes normality; good for log-counts
# mutual_info_classif: Nonlinear relationships but slower
# k=1000: Reasonable pre-filter; increase for larger omics datasets (>10k features)
selector = SelectKBest(f_classif, k=1000)
X_filtered = selector.fit_transform(X, y)
selected_idx = selector.get_support(indices=True)

Combined Pipeline

from sklearn.pipeline import Pipeline
from sklearn.ensemble import RandomForestClassifier

# Pre-filter then Boruta for efficiency
pipe = Pipeline([
    ('prefilter', SelectKBest(f_classif, k=5000)),
    ('boruta', BorutaPy(RandomForestClassifier(n_jobs=-1), max_iter=100, random_state=42))
])
# Note: BorutaPy doesn't follow sklearn API perfectly; manual fit may be needed

Method Comparison

MethodStrengthsWeaknessesUse When
BorutaFinds all relevant featuresSlow on large dataWant complete biomarker panel
mRMRReduces redundancyFixed KWant compact signature
LASSOSparse, interpretablePicks one of correlatedWant minimal predictive set
UnivariateFastIgnores interactionsPre-filtering

Stability Selection

Goal: Identify biomarkers that are robustly selected across different data subsets, filtering out features that are only informative in specific subsamples.

Approach: Run LASSO feature selection on many bootstrap resamples, count how often each feature is selected across all iterations, and retain only features selected in more than 60% of bootstrap samples.

from sklearn.linear_model import LogisticRegression
from sklearn.feature_selection import SelectFromModel
import numpy as np

n_bootstrap = 100
selection_counts = np.zeros(X.shape[1])

for i in range(n_bootstrap):
    idx = np.random.choice(len(X), size=len(X), replace=True)
    X_boot, y_boot = X.iloc[idx], y[idx]

    lasso = LogisticRegression(penalty='l1', solver='saga', C=0.1, max_iter=1000)
    lasso.fit(X_boot, y_boot)
    selection_counts += (lasso.coef_[0] != 0)

# stability_threshold=0.6: Features selected in >60% of bootstrap samples
stable_features = X.columns[selection_counts / n_bootstrap > 0.6]

Related Skills

  • differential-expression/de-results - Pre-filter with DE genes
  • pathway-analysis/go-enrichment - Functional enrichment of selected features
  • machine-learning/omics-classifiers - Use selected features for prediction

리뷰

아직 리뷰가 없습니다. 사용해 본 소감을 남겨 주세요.

댓글

로그인 없이 쓸 수 있습니다. 사용 후기, 질문, 작동하지 않은 환경 등을 편하게 남겨 주세요.

아직 댓글이 없습니다. 첫 댓글을 남겨 보세요.

보내면 바로 공개됩니다. 이메일 주소나 전화번호 같은 개인 정보는 쓰지 마세요. URL은 2개까지입니다.

0 / 1,000자

이 양식은 reCAPTCHA로 보호되며 Google 개인정보처리방침 및 서비스 약관이 적용됩니다.

같은 저장소의 스킬

Workflow for read alignment, sorting, indexing, mapping statistics, and downstream-ready alignment artifacts.

한국어 요약은 준비 중입니다. 원문 설명을 표시하고 있습니다.

BioTender-max/awesome-bio-agent-skills2042026년 7월 2일 업데이트

alphafold

무료

Validate protein designs using AlphaFold2 structure prediction. Use this skill when: (1) Validating designed sequences fold correctly, (2) Predicting binder-target complex structures, (3) Calculating confidence metrics (pLDDT, pTM, ipTM), (4) Self-consistency validation of designs, (5) Multi-chain complex prediction with AlphaFold-Multimer. For faster single-chain prediction, use esm. For QC thresholds, use protein-qc.

한국어 요약은 준비 중입니다. 원문 설명을 표시하고 있습니다.

BioTender-max/awesome-bio-agent-skills2042026년 7월 2일 업데이트

AlphaFold2 / AlphaFold-Multimer structure prediction for validation and confidence scoring. Use this skill when: (1) Validating designed sequences fold correctly, (2) Predicting binder-target complex structures, (3) Calculating confidence metrics (pLDDT, pTM, ipTM), (4) Self-consistency validation of designs, (5) Multi-chain complex prediction with AlphaFold-Multimer. For faster single-chain prediction, use esm2-sequence-scoring. For QC thresholds, use protein-design-qc.

한국어 요약은 준비 중입니다. 원문 설명을 표시하고 있습니다.

BioTender-max/awesome-bio-agent-skills2042026년 7월 2일 업데이트

Workflow for event-level and isoform-level splicing analysis with sashimi-ready outputs and splice QC.

한국어 요약은 준비 중입니다. 원문 설명을 표시하고 있습니다.

BioTender-max/awesome-bio-agent-skills2042026년 7월 2일 업데이트

atac-seq

무료

ATAC-seq processing with assay QC, MACS3 peak calling, consensus peak matrices, differential accessibility, and motif or footprint follow-up.

한국어 요약은 준비 중입니다. 원문 설명을 표시하고 있습니다.

BioTender-max/awesome-bio-agent-skills2042026년 7월 2일 업데이트

bindcraft

무료

End-to-end binder design using BindCraft hallucination. Use this skill when: (1) Designing protein binders with built-in AF2 validation, (2) Running production-quality binder campaigns, (3) Using different design protocols (fast, default, slow), (4) Need joint backbone and sequence optimization, (5) Want high experimental success rate. For backbone-only generation, use rfdiffusion. For QC thresholds, use protein-qc. For tool selection guidance, use binder-design.

한국어 요약은 준비 중입니다. 원문 설명을 표시하고 있습니다.

BioTender-max/awesome-bio-agent-skills2042026년 7월 2일 업데이트

BioTender-max의 스킬 모두 보기

이 스킬의 문제 신고