[Better Transformer] make is_causal a hint and force attn_mask to be set on `is_causal=True` in F.MHA (#97214)
Summary:
This fixes an issue raised in [is_causal parameter in torch.nn.TransformerEncoderLayer.forward does not work #96941](https://github.com/pytorch/pytorch/issues/96941) where results computed with is_causal do not properly reflect causal masking.
In PyTorch 2.0, Accelerated PT Transformers added the is_causal parameter to legacy nn.Transformer* and nn.MHA APIs aligned with and intended to engage the is_causal parameter of the new scaled_dot_product_attention (SDPA) operator.
At present is_causal works differently for Transformer* modules, the nn.MHA and F.MHA:
* The nn.Transformer* modules treat is_causal as an optional indicator about the format of attn_mask. This is because some layers (such as the CLIP layer use the attention mask in the layer, and thus the attn_mask was a required feature.)
* Initially, nn.MHA and F.MHA were defined to align with F.SDPA in behavior: a user may specify either the attention mask, or is_causal, but not both. It seemed to make sense at the time to align SDPA and MHA, esp since there was a larger overlap of parameters which have since changed, e.g., with the removal of need_weights from SDPA. (See below for why this makes sense.)
Unfortunately, this does not work because of how MHA was changed to handle the need_weights parameter. When need_weights is present, we do not (any more) call SDPA because support for need_weights was removed from SDPA before the release. The rationale is that need_weights defeats all optimization at the foundation of SDPA performance. Having the flag might thus mislead users into thinking they get good performance and have them disappointed when they enable a legacy feature of MHA which massively degrades performance. (They might not think anything of enabling that, because it is on by default in MHA today, which leads to more issues.)
Since SDPA does not (no longer) support need_weights, we need to pick a separate path which implements attention using a set of discrete operations that allocates a tensor for weights. Alas, this code path does not have support for is_causal, because attention is implemented as matmul and using the attention mask. Thus, is_causal has no impact. (A substantially similar situation arises with how kpm is implemented today because Nested Tensors are not supported by torch.compile() in 2.0)
This problem was masked because all uses of legacy nn.MHA (and F.MHA) come through nn.Transformer* which called self-attention (i.e., nn.MHA) only ever with the attention mask attn_mask, and never with is_causal, a missed optimization opportunit that would have been addressed in a future performance update.
Regrettably, always calling nn.MHA with attn_mask prevented diagnosing of the issue of not having a suitable attention mask when need_weights support was dropped from SDPA and a discrete implementation of attention was added for that scenario, and for the execution path with key_padding_mask.
We have two options to address this issue:
Solution 1: Whenever nn.MHA and F.MHA are executed with is_causal set, we internally create a causal mask at significant expense of allocating a tensor and filling it with a triangular causal matrix. This increases memory usage, and runtime, for allocating a causal mask. To add insult to injury, in all current (and likely future) execution scenarios, MHA is called by a model using the nn.Transformer API which already has that matrix and passes it from nn.module to nn.module. Then the passing in of attn_mask has to be suppressed by nn.TransformerEncoderLayer, only for nn.MHA to immediately allocate the very same tensor again to satisfy the requirement to have an attention mask for the computation. (We expect new use cases to use SDPA directly.)
Solution 2: We align the behavior of nn.MHA and F.MHA with the rest of the existing nn.Transformer API, and require the attention mask to be passed into nn.MHA in addition to is_causal as an optional indicator about the nature of the attention mask rather than as an alternative to attn_mask. Then, when we choose the code path for processing MHA with need_weights or a key_padding_mask, we have the attn_mask passed down through the nn.Transformer* hierarchy, without the added overhead of allocating an attention mask as in scenario 1.
This PR implements solution 2 which offers better performance and in retrospect aligns MHA better with the rest of the Transformer modules as the definition of SDPA evolved into a more streamlined high-performance operator. It ostensibly changes how is_causal works, by requiring the attention mask to be specified. However, as described here, and as shown in the submitted issue, is_causal is not working as intended today, so it requires a change regardless.
In that sense, a change in API does not occur per-se, as the current implementation is not working, and a change has to occur either way to resolve the submitted issue, breaking any use cases that depend on the current implementation. Checks exist (and more can be added) that flag any scenarios where is_causal is passed as True, but no attention mask is provided, ensuring that there's not quiet change from even the faulty behavior present in 2.0.
As an upside, the present implementation will improve performance by addressing the passing of the is_causal flag from Transformer modules to MHA, speeding up training for these examples, e.g., finetuning BERT, RoBERTa, XLM-R models.
Differential Revision: D44245725
Pull Request resolved: https://github.com/pytorch/pytorch/pull/97214
Approved by: https://github.com/albanD