Self-Attention and Multi-Head Attention Explained Clearly

Generative AI 18 min min read Updated: Feb 21, 2026 Intermediate

Self-Attention and Multi-Head Attention Explained Clearly in Generative AI

Intermediate Topic 2 of 5

Self-Attention and Multi-Head Attention Explained Clearly

Self-attention means each word in a sentence looks at all other words to decide how much attention it should pay to them.


1) Query, Key, Value Concept

Each token is converted into three vectors:

  • Query (Q)
  • Key (K)
  • Value (V)

Attention score = similarity between Query and Key. Final output = weighted sum of Value vectors.


2) Why Multi-Head?

A single attention mechanism might focus only on one type of relationship. Multi-head attention allows the model to learn different types of relationships simultaneously.

  • Head 1: Grammar relations
  • Head 2: Semantic similarity
  • Head 3: Positional dependencies

3) Why This Matters for LLMs

Multi-head attention enables richer contextual understanding, which is why large language models generate coherent long responses.


4) Summary

Self-attention allows tokens to understand each other. Multi-head attention allows multiple types of understanding at once.

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