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Attention Softmax FP16 Overflow

The attention scores are calculated as `Q @ K.T`. Before scaling by `1/sqrt(d_k)`, these dot products can be very large. If calculated purely in FP16, the dot product can exceed 65,504, causing an overflow to `inf`. Softmax on `inf` values produces `NaN`.

Quick answer

The attention scores are calculated as `Q @ K.

Root cause
The attention scores are calculated as `Q @ K.T`. Before scaling by `1/sqrt(d_k)`, these dot products can be very large.
Recommended fix
Use Scaled Dot Product Attention attn_output = torch.nn.functional.scaled_dot_product_attention(q, k, v) PyTorch's SDPA implementation natively handles the scaling efficiently and uses precision safeguards (like casting to FP32 or using FlashAttention) to prevent overflow.
How Denpex helps
Denpex investigates Attention Softmax FP16 Overflow using the evidence you provide or your connected workload collects. Earlier rank, host or application evidence is needed to distinguish an initiating failure from a downstream report.
Model#Numerical Instability

What this failure is

Attention Softmax FP16 Overflow is a Model failure seen during ML training runs. The attention scores are calculated as `Q @ K.T`. Before scaling by `1/sqrt(d_k)`, these dot products can be very large. If calculated purely in FP16, the dot product can exceed 65,504, causing an overflow to `inf`. Softmax on `inf` values produces `NaN`. Common tags: Numerical Instability.

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Why it happens (the mechanism)

Because the `1/sqrt(d_k)` scaling happens immediately after the matmul in code, developers assume the values are safely scaled down. However, the overflow happens inside the matmul itself before the division can rescue it.

What you'll observe

  • NaNs propagating from Attention blocks
  • Attention probabilities becoming completely zero or uniform NaNs

Common symptoms and what they mean

SymptomWhy it happens
During early training steps, the model outputs completely NaN logits.The attention scores are calculated as `Q @ K.T`. Before scaling by `1/sqrt(d_k)`, these dot products can be very large. If calculated purely in FP16, the dot product can exceed 65,504, causing an overflow to `inf`. Softmax on `inf` values produces `NaN`.
Occurs predominantly when the sequence length or embedding dimension is very large.The attention scores are calculated as `Q @ K.T`. Before scaling by `1/sqrt(d_k)`, these dot products can be very large. If calculated purely in FP16, the dot product can exceed 65,504, causing an overflow to `inf`. Softmax on `inf` values produces `NaN`.

Which systems are affected

  • PyTorch
  • Transformers
  • Mixed Precision

How to confirm this is the problem

Use this checklist to test the hypothesis against a small reproduction. No single line proves the root cause, so preserve the preceding events and compare one variable at a time.

  • ✓Isolate the attention block and pass a random tensor.
  • ✓Check `torch.isinf(attn_weights).any()` right after the `Q @ K.T` step.

Root cause

  • The attention scores are calculated as `Q @ K.T`. Before scaling by `1/sqrt(d_k)`, these dot products can be very large. If calculated purely in FP16, the dot product can exceed 65,504, causing an overflow to `inf`. Softmax on `inf` values produces `NaN`.

The fix and how to prevent it

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