claude-scientific-skills/scientific-packages/dask/SKILL.md

---
name: dask
description: Toolkit for parallel and distributed computing in Python enabling larger-than-memory operations, parallel processing, and distributed computation. Use this skill when: (1) datasets exceed available RAM and need chunked processing, (2) pandas/NumPy operations are slow and need parallelization across cores, (3) processing multiple files (CSV, Parquet, JSON, logs) that collectively exceed memory, (4) building custom parallel workflows with task dependencies, (5) scaling from prototype pandas/NumPy code to production on larger data, (6) need distributed computing across multiple machines, (7) working with scientific datasets (HDF5, Zarr, NetCDF) larger than memory, (8) ETL pipelines processing terabytes of unstructured data, (9) parameter sweeps or embarrassingly parallel computations, (10) when simpler solutions (better algorithms, efficient formats, sampling) aren't sufficient. Supports DataFrames (parallel pandas), Arrays (parallel NumPy), Bags (parallel Python lists), Futures (task-based parallelization), and various schedulers. NOT suitable for: small datasets fitting in memory, single-file processing, simple computations without parallelism needs, when NumPy/Pandas already perform adequately, or when task overhead exceeds computation time.
---

# Dask

## Overview

Dask is a Python library for parallel and distributed computing that enables three critical capabilities:
- **Larger-than-memory execution** on single machines for data exceeding available RAM
- **Parallel processing** for improved computational speed across multiple cores
- **Distributed computation** supporting terabyte-scale datasets across multiple machines

Dask scales from laptops (processing ~100 GiB) to clusters (processing ~100 TiB) while maintaining familiar Python APIs.

## When to Use Dask

Apply this skill when users need to:
- Process datasets that exceed available RAM
- Scale pandas or NumPy operations to larger datasets
- Parallelize computations for performance improvements
- Process multiple files efficiently (CSVs, Parquet, JSON, text logs)
- Build custom parallel workflows with task dependencies
- Distribute workloads across multiple cores or machines

## Core Capabilities

Dask provides five main components, each suited to different use cases:

### 1. DataFrames - Parallel Pandas Operations

**Purpose**: Scale pandas operations to larger datasets through parallel processing.

**When to Use**:
- Tabular data exceeds available RAM
- Need to process multiple CSV/Parquet files together
- Pandas operations are slow and need parallelization
- Scaling from pandas prototype to production

**Reference Documentation**: For comprehensive guidance on Dask DataFrames, refer to `references/dataframes.md` which includes:
- Reading data (single files, multiple files, glob patterns)
- Common operations (filtering, groupby, joins, aggregations)
- Custom operations with `map_partitions`
- Performance optimization tips
- Common patterns (ETL, time series, multi-file processing)

**Quick Example**:
```python
import dask.dataframe as dd

# Read multiple files as single DataFrame
ddf = dd.read_csv('data/2024-*.csv')

# Operations are lazy until compute()
filtered = ddf[ddf['value'] > 100]
result = filtered.groupby('category').mean().compute()
```

**Key Points**:
- Operations are lazy (build task graph) until `.compute()` called
- Use `map_partitions` for efficient custom operations
- Convert to DataFrame early when working with structured data from other sources

### 2. Arrays - Parallel NumPy Operations

**Purpose**: Extend NumPy capabilities to datasets larger than memory using blocked algorithms.

**When to Use**:
- Arrays exceed available RAM
- NumPy operations need parallelization
- Working with scientific datasets (HDF5, Zarr, NetCDF)
- Need parallel linear algebra or array operations

**Reference Documentation**: For comprehensive guidance on Dask Arrays, refer to `references/arrays.md` which includes:
- Creating arrays (from NumPy, random, from disk)
- Chunking strategies and optimization
- Common operations (arithmetic, reductions, linear algebra)
- Custom operations with `map_blocks`
- Integration with HDF5, Zarr, and XArray

**Quick Example**:
```python
import dask.array as da

# Create large array with chunks
x = da.random.random((100000, 100000), chunks=(10000, 10000))

# Operations are lazy
y = x + 100
z = y.mean(axis=0)

# Compute result
result = z.compute()
```

**Key Points**:
- Chunk size is critical (aim for ~100 MB per chunk)
- Operations work on chunks in parallel
- Rechunk data when needed for efficient operations
- Use `map_blocks` for operations not available in Dask

### 3. Bags - Parallel Processing of Unstructured Data

**Purpose**: Process unstructured or semi-structured data (text, JSON, logs) with functional operations.

**When to Use**:
- Processing text files, logs, or JSON records
- Data cleaning and ETL before structured analysis
- Working with Python objects that don't fit array/dataframe formats
- Need memory-efficient streaming processing

**Reference Documentation**: For comprehensive guidance on Dask Bags, refer to `references/bags.md` which includes:
- Reading text and JSON files
- Functional operations (map, filter, fold, groupby)
- Converting to DataFrames
- Common patterns (log analysis, JSON processing, text processing)
- Performance considerations

**Quick Example**:
```python
import dask.bag as db
import json

# Read and parse JSON files
bag = db.read_text('logs/*.json').map(json.loads)

# Filter and transform
valid = bag.filter(lambda x: x['status'] == 'valid')
processed = valid.map(lambda x: {'id': x['id'], 'value': x['value']})

# Convert to DataFrame for analysis
ddf = processed.to_dataframe()
```

**Key Points**:
- Use for initial data cleaning, then convert to DataFrame/Array
- Use `foldby` instead of `groupby` for better performance
- Operations are streaming and memory-efficient
- Convert to structured formats (DataFrame) for complex operations

### 4. Futures - Task-Based Parallelization

**Purpose**: Build custom parallel workflows with fine-grained control over task execution and dependencies.

**When to Use**:
- Building dynamic, evolving workflows
- Need immediate task execution (not lazy)
- Computations depend on runtime conditions
- Implementing custom parallel algorithms
- Need stateful computations

**Reference Documentation**: For comprehensive guidance on Dask Futures, refer to `references/futures.md` which includes:
- Setting up distributed client
- Submitting tasks and working with futures
- Task dependencies and data movement
- Advanced coordination (queues, locks, events, actors)
- Common patterns (parameter sweeps, dynamic tasks, iterative algorithms)

**Quick Example**:
```python
from dask.distributed import Client

client = Client()  # Create local cluster

# Submit tasks (executes immediately)
def process(x):
    return x ** 2

futures = client.map(process, range(100))

# Gather results
results = client.gather(futures)

client.close()
```

**Key Points**:
- Requires distributed client (even for single machine)
- Tasks execute immediately when submitted
- Pre-scatter large data to avoid repeated transfers
- ~1ms overhead per task (not suitable for millions of tiny tasks)
- Use actors for stateful workflows

### 5. Schedulers - Execution Backends

**Purpose**: Control how and where Dask tasks execute (threads, processes, distributed).

**When to Choose Scheduler**:
- **Threads** (default): NumPy/Pandas operations, GIL-releasing libraries, shared memory benefit
- **Processes**: Pure Python code, text processing, GIL-bound operations
- **Synchronous**: Debugging with pdb, profiling, understanding errors
- **Distributed**: Need dashboard, multi-machine clusters, advanced features

**Reference Documentation**: For comprehensive guidance on Dask Schedulers, refer to `references/schedulers.md` which includes:
- Detailed scheduler descriptions and characteristics
- Configuration methods (global, context manager, per-compute)
- Performance considerations and overhead
- Common patterns and troubleshooting
- Thread configuration for optimal performance

**Quick Example**:
```python
import dask
import dask.dataframe as dd

# Use threads for DataFrame (default, good for numeric)
ddf = dd.read_csv('data.csv')
result1 = ddf.mean().compute()  # Uses threads

# Use processes for Python-heavy work
import dask.bag as db
bag = db.read_text('logs/*.txt')
result2 = bag.map(python_function).compute(scheduler='processes')

# Use synchronous for debugging
dask.config.set(scheduler='synchronous')
result3 = problematic_computation.compute()  # Can use pdb

# Use distributed for monitoring and scaling
from dask.distributed import Client
client = Client()
result4 = computation.compute()  # Uses distributed with dashboard
```

**Key Points**:
- Threads: Lowest overhead (~10 µs/task), best for numeric work
- Processes: Avoids GIL (~10 ms/task), best for Python work
- Distributed: Monitoring dashboard (~1 ms/task), scales to clusters
- Can switch schedulers per computation or globally

## Best Practices

For comprehensive performance optimization guidance, memory management strategies, and common pitfalls to avoid, refer to `references/best-practices.md`. Key principles include:

### Start with Simpler Solutions
Before using Dask, explore:
- Better algorithms
- Efficient file formats (Parquet instead of CSV)
- Compiled code (Numba, Cython)
- Data sampling

### Critical Performance Rules

**1. Don't Load Data Locally Then Hand to Dask**
```python
# Wrong: Loads all data in memory first
import pandas as pd
df = pd.read_csv('large.csv')
ddf = dd.from_pandas(df, npartitions=10)

# Correct: Let Dask handle loading
import dask.dataframe as dd
ddf = dd.read_csv('large.csv')
```

**2. Avoid Repeated compute() Calls**
```python
# Wrong: Each compute is separate
for item in items:
    result = dask_computation(item).compute()

# Correct: Single compute for all
computations = [dask_computation(item) for item in items]
results = dask.compute(*computations)
```

**3. Don't Build Excessively Large Task Graphs**
- Increase chunk sizes if millions of tasks
- Use `map_partitions`/`map_blocks` to fuse operations
- Check task graph size: `len(ddf.__dask_graph__())`

**4. Choose Appropriate Chunk Sizes**
- Target: ~100 MB per chunk (or 10 chunks per core in worker memory)
- Too large: Memory overflow
- Too small: Scheduling overhead

**5. Use the Dashboard**
```python
from dask.distributed import Client
client = Client()
print(client.dashboard_link)  # Monitor performance, identify bottlenecks
```

## Common Workflow Patterns

### ETL Pipeline
```python
import dask.dataframe as dd

# Extract: Read data
ddf = dd.read_csv('raw_data/*.csv')

# Transform: Clean and process
ddf = ddf[ddf['status'] == 'valid']
ddf['amount'] = ddf['amount'].astype('float64')
ddf = ddf.dropna(subset=['important_col'])

# Load: Aggregate and save
summary = ddf.groupby('category').agg({'amount': ['sum', 'mean']})
summary.to_parquet('output/summary.parquet')
```

### Unstructured to Structured Pipeline
```python
import dask.bag as db
import json

# Start with Bag for unstructured data
bag = db.read_text('logs/*.json').map(json.loads)
bag = bag.filter(lambda x: x['status'] == 'valid')

# Convert to DataFrame for structured analysis
ddf = bag.to_dataframe()
result = ddf.groupby('category').mean().compute()
```

### Large-Scale Array Computation
```python
import dask.array as da

# Load or create large array
x = da.from_zarr('large_dataset.zarr')

# Process in chunks
normalized = (x - x.mean()) / x.std()

# Save result
da.to_zarr(normalized, 'normalized.zarr')
```

### Custom Parallel Workflow
```python
from dask.distributed import Client

client = Client()

# Scatter large dataset once
data = client.scatter(large_dataset)

# Process in parallel with dependencies
futures = []
for param in parameters:
    future = client.submit(process, data, param)
    futures.append(future)

# Gather results
results = client.gather(futures)
```

## Selecting the Right Component

Use this decision guide to choose the appropriate Dask component:

**Data Type**:
- Tabular data → **DataFrames**
- Numeric arrays → **Arrays**
- Text/JSON/logs → **Bags** (then convert to DataFrame)
- Custom Python objects → **Bags** or **Futures**

**Operation Type**:
- Standard pandas operations → **DataFrames**
- Standard NumPy operations → **Arrays**
- Custom parallel tasks → **Futures**
- Text processing/ETL → **Bags**

**Control Level**:
- High-level, automatic → **DataFrames/Arrays**
- Low-level, manual → **Futures**

**Workflow Type**:
- Static computation graph → **DataFrames/Arrays/Bags**
- Dynamic, evolving → **Futures**

## Integration Considerations

### File Formats
- **Efficient**: Parquet, HDF5, Zarr (columnar, compressed, parallel-friendly)
- **Compatible but slower**: CSV (use for initial ingestion only)
- **For Arrays**: HDF5, Zarr, NetCDF

### Conversion Between Collections
```python
# Bag → DataFrame
ddf = bag.to_dataframe()

# DataFrame → Array (for numeric data)
arr = ddf.to_dask_array(lengths=True)

# Array → DataFrame
ddf = dd.from_dask_array(arr, columns=['col1', 'col2'])
```

### With Other Libraries
- **XArray**: Wraps Dask arrays with labeled dimensions (geospatial, imaging)
- **Dask-ML**: Machine learning with scikit-learn compatible APIs
- **Distributed**: Advanced cluster management and monitoring

## Debugging and Development

### Iterative Development Workflow

1. **Test on small data with synchronous scheduler**:
```python
dask.config.set(scheduler='synchronous')
result = computation.compute()  # Can use pdb, easy debugging
```

2. **Validate with threads on sample**:
```python
sample = ddf.head(1000)  # Small sample
# Test logic, then scale to full dataset
```

3. **Scale with distributed for monitoring**:
```python
from dask.distributed import Client
client = Client()
print(client.dashboard_link)  # Monitor performance
result = computation.compute()
```

### Common Issues

**Memory Errors**:
- Decrease chunk sizes
- Use `persist()` strategically and delete when done
- Check for memory leaks in custom functions

**Slow Start**:
- Task graph too large (increase chunk sizes)
- Use `map_partitions` or `map_blocks` to reduce tasks

**Poor Parallelization**:
- Chunks too large (increase number of partitions)
- Using threads with Python code (switch to processes)
- Data dependencies preventing parallelism

## Reference Files

All reference documentation files can be read as needed for detailed information:

- `references/dataframes.md` - Complete Dask DataFrame guide
- `references/arrays.md` - Complete Dask Array guide
- `references/bags.md` - Complete Dask Bag guide
- `references/futures.md` - Complete Dask Futures and distributed computing guide
- `references/schedulers.md` - Complete scheduler selection and configuration guide
- `references/best-practices.md` - Comprehensive performance optimization and troubleshooting

Load these files when users need detailed information about specific Dask components, operations, or patterns beyond the quick guidance provided here.