13c-metabolic-flux
Estimates intracellular metabolic fluxes from steady-state carbon-13 isotope-tracing measurements using validated atom maps,โฆ
Applies UMAP-learn to nonlinear dimensionality reduction, 2D/3D embeddings, clustering preprocessing, supervised or semi-supervised UMAP, DensMAP, AlignedUMAP, and Parametric UMAP workflows.
Claude Code
$ npx -y skills add K-Dense-AI/scientific-agent-skills --skill umap-learn --agent claude-code
Codex
$ npx skills add K-Dense-AI/scientific-agent-skills --skill umap-learn -a codex -y
Cursor
$ npx skills add K-Dense-AI/scientific-agent-skills --skill umap-learn -a cursor -y
Gemini CLI
$ npx skills add K-Dense-AI/scientific-agent-skills --skill umap-learn -a gemini-cli -y
GitHub Copilot
$ npx skills add K-Dense-AI/scientific-agent-skills --skill umap-learn -a github-copilot -y
OpenCode
$ npx skills add K-Dense-AI/scientific-agent-skills --skill umap-learn -a opencode -y
Windsurf
$ npx skills add K-Dense-AI/scientific-agent-skills --skill umap-learn -a windsurf -y
name: umap-learn description: Applies UMAP-learn to nonlinear dimensionality reduction, 2D/3D embeddings, clustering preprocessing, supervised or semi-supervised UMAP, DensMAP, AlignedUMAP, and Parametric UMAP workflows. license: BSD-3-Clause license compatibility: Requires Python 3.9+ and umap-learn; optional HDBSCAN, Matplotlib, and TensorFlow with Keras 3. Network access is needed for installation, not local fitting. metadata: version: "1.5" last-reviewed: "2026-10-01" upstream-version: "0.5.12" skill-author: K-Dense Inc.
UMAP (Uniform Manifold Approximation and Projection) is a dimensionality reduction technique for visualization and general non-linear dimensionality reduction. Apply this skill for fast, scalable embeddings that approximate neighborhood structure, supervised learning, and clustering preprocessing.
Before interpreting an embedding, check finite coordinates, neighborhood retention, sensitivity to seeds/parameters, and domain evidence in the original space. UMAP axes, island areas, and gaps between clusters have no calibrated physical or probabilistic meaning. Keep predictive test data outside preprocessing and embedding fits.
Verified on 2026-10-01: **umap-learn 0.5.12** is the current stable release (April 2026). Requires Python 3.9+ and depends on `scikit-learn>=1.6`, `numba`, `pynndescent`, `numpy`, and `scipy`. Pin to a verified release:
uv pip install umap-learn==0.5.12
UMAP uses the scikit-learn estimator interface, but its geometry and supervised behavior differ from PCA and t-SNE. Core examples were exercised on small synthetic data with Python 3.13, scikit-learn 1.9.1, NumPy 2.5.3, and Numba 0.68.0. Parametric examples are source-checked illustrations, not executed TensorFlow tests. In snippets below, `data` is a finite samples-by-features array and labels must follow the same row order.
import umap from sklearn.preprocessing import StandardScaler # Scale continuous features when their units should carry equal weight scaled_data = StandardScaler().fit_transform(data) # Method 1: Single step (fit and transform) embedding = umap.UMAP(random_state=42, n_jobs=1).fit_transform(scaled_data) # Method 2: Separate steps (for reusing trained model) reducer = umap.UMAP(random_state=42) reducer.fit(scaled_data) embedding = reducer.embedding_ # Access the trained embedding
**Preprocessing requirement:** Match preprocessing to the metric. For numeric Euclidean-style metrics, decide whether scaling is scientifically appropriate; it changes the feature weighting. Fit preprocessing on training data only for predictive work. Use `StandardScaler(with_mean=False)` for sparse matrices to avoid densifying them. For cosine, binary, precomputed-distance, or mixed-feature workflows, choose preprocessing that matches the metric instead of blindly standardizing every column.
import umap
import matplotlib.pyplot as plt
from sklearn.preprocessing import StandardScaler
# 1. Preprocess data
scaler = StandardScaler()
scaled_data = scaler.fit_transform(raw_data)
# 2. Create and fit UMAP
reducer = umap.UMAP(
n_neighbors=15,
min_dist=0.1,
n_components=2,
metric='euclidean',
random_state=42
)
embedding = reducer.fit_transform(scaled_data)
# 3. Visualize
plt.scatter(embedding[:, 0], embedding[:, 1], c=labels, cmap='Spectral', s=5)
plt.colorbar()
plt.title('UMAP Embedding')
plt.show()UMAP has four primary parameters that control the embedding behavior. Understanding these is crucial for effective usage.
**Purpose:** Balances local versus global structure in the embedding.
**How it works:** Controls the size of the local neighborhood UMAP examines when learning manifold structure.
**Effects by value:**
**Recommendation:** Start with 15, keep it below the number of fitted samples, and compare several values. Larger neighborhoods do not make inter-cluster distances quantitatively reliable.
**Purpose:** Controls how tightly points cluster in the low-dimensional space.
**How it works:** Adjusts the attraction curve and typical packing in the embedding; it is not a hard lower bound on pairwise distances. Require `0 <= min_dist <= spread`.
**Effects by value:**
**Recommendation:** Use 0.0 for clustering applications, 0.1-0.3 for visualization, 0.5+ for loose structure.
**Purpose:** Determines the dimensionality of the embedded output space.
**Key feature:** Unlike t-SNE, UMAP scales well in the embedding dimension, enabling use beyond visualization.
**Common uses:**
**Recommendation:** Use 2 for visualization, 5-10 for clustering, higher for ML pipelines.
**Purpose:** Specifies how distance is calculated between input data points.
**Supported metrics:**
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