A single self-attention head computes one attention matrix. That matrix captures one kind of relationship — usually the one that minimizes loss on whatever the training signal is. If your data has subject-verb agreement, co-reference, long-range discourse, and syntactic chunking all tangled together, a single head smears them into a single soft-max distribution and loses half the signal.
The fix from the 2017 Vaswani paper: run several attention functions in parallel, each with its own Q, K, V projections, and concatenate the outputs. Each head operates in a smaller subspace of dimension d_model / n_heads. Total parameters stay the same. Expressive power goes up.
Multi-head attention is the default every transformer in 2026 ships with. The only argument is about how many heads and whether keys and values share projections (Grouped-Query Attention, Multi-Query Attention, Multi-head Latent Attention).
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