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`.
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.
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
| Symptom | Why 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
The fix and the prevention pattern
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