[MoE] MoE Calibration with calibrate_all_experts (#1760)

Coauthored with @dichn!

## Purpose ##
* Add support for `calibrate_all_experts` option, which sends all tokens
to all experts, but still produces the same outputs as if tokens had
been gated

## Changes ##
* Modify model definitions such that, in the case of
`calibrate_all_experts=True` token gating occurs after passing tokens to
experts, rather than before

```python3
# `calibrate_all_experts=True` by default
model = replace_modules_for_calibration(model, calibrate_all_experts=True)
```

## Testing ##
* Added correctness tests for new model definitions which checks that
outputs are exactly the same
* Added hook tests to make sure all experts are being sent tokens

---------

Signed-off-by: Kyle Sayers <kylesayrs@gmail.com>
Co-authored-by: Di Chen <dichen@redhat.com>
Co-authored-by: Dipika Sikka <dipikasikka1@gmail.com>

Author: 3 people

src/llmcompressor/modeling/deepseek_v3.py

@@ -10,12 +10,18 @@ class DeepseekV3MoECalibrate(torch.nn.Module):
     Patched DeepseekV3MoE which sends all tokens to all experts for calibration
     """
 
-    def __init__(self, config: DeepseekV3Config, original: OriginalDeepseekV3MoE):
+    def __init__(
+        self,
+        config: DeepseekV3Config,
+        original: OriginalDeepseekV3MoE,
+        calibrate_all_experts: bool,
+    ):
         super().__init__()
         self.config = config
         self.experts = original.experts
         self.gate = original.gate
         self.shared_experts = original.shared_experts
+        self.calibrate_all_experts = calibrate_all_experts
 
     def forward(self, hidden_states: torch.Tensor) -> torch.Tensor:
         residuals = hidden_states
@@ -30,24 +36,40 @@ def forward(self, hidden_states: torch.Tensor) -> torch.Tensor:
         )
         expert_mask = expert_mask.permute(2, 0, 1)
 
-        for expert_idx in range(len(self.experts)):
-            expert = self.experts[expert_idx]
-            mask = expert_mask[expert_idx]
-            token_indices, weight_indices = torch.where(mask)
+        for expert_idx, expert in enumerate(self.experts):
+            token_indices, weight_indices = torch.where(expert_mask[expert_idx])
+            has_tokens = token_indices.numel() > 0
 
-            expert_weights = topk_weights[token_indices, weight_indices]
-            expert_input = hidden_states[token_indices]
-            expert_output = expert(expert_input)
-            weighted_output = expert_output * expert_weights.unsqueeze(-1)
+            if self.calibrate_all_experts:
+                expert_input = hidden_states
+                expert_output = expert(expert_input)
 
-            if token_indices.numel() > 0:
-                final_hidden_states.index_add_(0, token_indices, weighted_output)
+                if has_tokens:
+                    expert_weights = topk_weights[token_indices, weight_indices]
+                    routed_output = expert_output[
+                        token_indices
+                    ] * expert_weights.unsqueeze(-1)
+                    final_hidden_states.index_add_(0, token_indices, routed_output)
+            else:
+                # Normal MoE: only process tokens routed to this expert
+                if has_tokens:
+                    expert_input = hidden_states[token_indices]
+                    expert_output = expert(expert_input)
+                    expert_weights = topk_weights[token_indices, weight_indices]
+                    routed_output = expert_output * expert_weights.unsqueeze(-1)
+                    final_hidden_states.index_add_(0, token_indices, routed_output)
         # End MoE
 
         hidden_states = final_hidden_states.type(hidden_states.dtype).view(*orig_shape)
         hidden_states = hidden_states + self.shared_experts(residuals)
         return hidden_states
 
 
-def replace(config: DeepseekV3Config, module: OriginalDeepseekV3MoE):
-    return DeepseekV3MoECalibrate(config=config, original=module)
+def replace(
+    config: DeepseekV3Config,
+    module: OriginalDeepseekV3MoE,
+    calibrate_all_experts: bool,
+):
+    return DeepseekV3MoECalibrate(
+        config=config, original=module, calibrate_all_experts=calibrate_all_experts
+    )

src/llmcompressor/modeling/llama4.py

@@ -1,8 +1,6 @@
 from typing import Tuple
 
 import torch
-import transformers
-from packaging import version
 from transformers.models.llama4.configuration_llama4 import (
     Llama4Config,
     Llama4TextConfig,
@@ -17,39 +15,57 @@
 
 
 class SequentialLlama4TextMoe(torch.nn.Module):
-    def __init__(self, config: Llama4TextConfig, original: Llama4TextMoe):
+    def __init__(
+        self,
+        config: Llama4TextConfig,
+        original: Llama4TextMoe,
+        calibrate_all_experts: bool,
+    ):
         super().__init__()
         self.top_k = config.num_experts_per_tok
         self.hidden_dim = config.hidden_size
         self.num_experts = config.num_local_experts
+
         self.experts = SequentialLlama4TextExperts(config, original.experts)
         self.router = original.router
         self.shared_expert = original.shared_expert
+        self.calibrate_all_experts = calibrate_all_experts
 
     def forward(self, hidden_states: torch.Tensor) -> Tuple[torch.Tensor, torch.tensor]:
         hidden_states = hidden_states.reshape(-1, self.hidden_dim)
-        router_logits = self.router(hidden_states)
+        router_outputs = self.router(hidden_states)
+
         # support transformers 4.53 and greater
-        if isinstance(router_logits, tuple):
-            router_logits = router_logits[-1]
+        if isinstance(router_outputs, tuple):
+            router_scores, router_logits = router_outputs
+        else:
+            router_top_value, router_indices = torch.topk(
+                router_logits, self.top_k, dim=1
+            )
+            router_logits = router_outputs
+            router_scores = (
+                torch.full_like(router_logits, float("-inf"))
+                .scatter_(1, router_indices, router_top_value)
+                .transpose(0, 1)
+            )
+            router_scores = torch.sigmoid(router_scores.float()).to(hidden_states.dtype)
 
-        router_top_value, router_indices = torch.topk(router_logits, self.top_k, dim=1)
+        out = self.shared_expert(hidden_states)
+        for expert_index in range(self.num_experts):
+            top_token_mask = router_scores[:, expert_index] > 0
 
-        router_scores = (
-            torch.full_like(router_logits, float("-inf"))
-            .scatter_(1, router_indices, router_top_value)
-            .transpose(0, 1)
-        )
-        router_scores = torch.sigmoid(router_scores.float()).to(hidden_states.dtype)
+            if self.calibrate_all_experts:
+                # Run all tokens for calibration
+                expert_out = self.experts[expert_index](hidden_states)[top_token_mask]
+            else:
+                expert_out = self.experts[expert_index](hidden_states[top_token_mask])
 
-        out = self.shared_expert(hidden_states)
-        for i in range(self.num_experts):
-            out += self.experts[i](hidden_states) * router_scores[i].reshape(-1, 1)
+            # Only top-k tokens contribute to final output
+            if top_token_mask.any():
+                expert_score = router_scores[top_token_mask, expert_index].unsqueeze(-1)
+                out[top_token_mask] += expert_out * expert_score
 
-        if version.parse(transformers.__version__) >= version.parse("4.54.0"):
-            return out, router_logits
-        else:
-            return out, router_scores
+        return out, router_scores
 
 
 class SequentialLlama4TextExperts(torch.nn.ModuleList):
@@ -72,5 +88,9 @@ def __init__(self, config: Llama4TextConfig, original: Llama4TextExperts):
             self[i].down_proj.weight.data = down.t().clone().contiguous()
 
 
-def replace(config: Llama4Config, module: Llama4TextMoe):
-    return SequentialLlama4TextMoe(config=config.get_text_config(), original=module)
+def replace(config: Llama4Config, module: Llama4TextMoe, calibrate_all_experts: bool):
+    return SequentialLlama4TextMoe(
+        config=config.get_text_config(),
+        original=module,
+        calibrate_all_experts=calibrate_all_experts,
+    )

src/llmcompressor/modeling/prepare.py

@@ -1,3 +1,4 @@
+import tqdm
 from compressed_tensors.utils import replace_module
 from transformers import PreTrainedModel
 
@@ -15,11 +16,18 @@
 }
 
 
-def replace_modules_for_calibration(model: PreTrainedModel) -> PreTrainedModel:
-    for name, module in model.named_modules():
+def replace_modules_for_calibration(
+    model: PreTrainedModel,
+    calibrate_all_experts: bool = True,
+) -> PreTrainedModel:
+    for name, module in tqdm.tqdm(list(model.named_modules())):
         cls_name = module.__class__.__name__
         if cls_name in replacements:
-            new_module = replacements[cls_name](config=model.config, module=module)
+            new_module = replacements[cls_name](
+                config=model.config,
+                module=module,
+                calibrate_all_experts=calibrate_all_experts,
+            )
             replace_module(model, name, new_module)
 
     return model
@@ -28,7 +36,7 @@ def replace_modules_for_calibration(model: PreTrainedModel) -> PreTrainedModel:
 # ------------------- module replacements; during calibration --------------------
 
 
-def update_qwen3_moe(model, stack):
+def update_qwen3_moe(model, stack, calibrate_all_experts):
     for module in model.modules():
         cls_name = module.__class__.__name__
         if cls_name == "Qwen3MoeDecoderLayer":
@@ -37,7 +45,11 @@ def update_qwen3_moe(model, stack):
                 patch_attr(
                     module,
                     "mlp",
-                    replace_Qwen3MoE(config=model.config, module=module.mlp),
+                    replace_Qwen3MoE(
+                        config=model.config,
+                        module=module.mlp,
+                        calibrate_all_experts=calibrate_all_experts,
+                    ),
                 )
             )
 
@@ -47,9 +59,13 @@ def update_qwen3_moe(model, stack):
 }
 
 
-def moe_calibration_context(model: PreTrainedModel, stack):
+def moe_calibration_context(
+    model: PreTrainedModel,
+    stack,
+    calibrate_all_experts: bool = False,
+):
     # Temporarily updates the MoE modules within the context
     # Once the context exists, parameter updates persist
     cls_name = model.__class__.__name__
     if cls_name in moe_context:
-        moe_context.get(cls_name)(model, stack)
+        moe_context.get(cls_name)(model, stack, calibrate_all_experts)

src/llmcompressor/modeling/qwen3_moe.py

@@ -23,14 +23,17 @@
 
 class Qwen3MoeSparseMoeBlock(torch.nn.Module):
     def __init__(
-        self, config: Qwen3MoeConfig, original: OriginalQwen3MoeSparseMoeBlock
+        self,
+        config: Qwen3MoeConfig,
+        original: OriginalQwen3MoeSparseMoeBlock,
+        calibrate_all_experts: bool,
     ):
         super().__init__()
         self.num_experts = config.num_experts
-        self.top_k = config.top_k
+        self.top_k = config.num_experts_per_tok
         self.norm_topk_prob = config.norm_topk_prob
 
-        # gating
+        self.calibrate_all_experts = calibrate_all_experts
         self.gate = original.gate
         self.experts = original.experts
 
@@ -50,6 +53,7 @@ def forward(self, hidden_states: torch.Tensor) -> torch.Tensor:
             routing_weights /= routing_weights.sum(dim=-1, keepdim=True)
         # we cast back to the input dtype
         routing_weights = routing_weights.to(hidden_states.dtype)
+
         final_hidden_states = torch.zeros(
             (batch_size * sequence_length, hidden_dim),
             dtype=hidden_states.dtype,
@@ -62,26 +66,32 @@ def forward(self, hidden_states: torch.Tensor) -> torch.Tensor:
             selected_experts, num_classes=self.num_experts
         ).permute(2, 1, 0)
 
-        for expert_idx in range(len(self.experts)):
-            expert_layer = self.experts[expert_idx]
+        for expert_idx, expert_layer in enumerate(self.experts):
             idx, top_x = torch.where(expert_mask[expert_idx].squeeze(0))
-            # Index the correct hidden states and compute the expert hidden state for
-            # the current expert. We need to make sure to multiply the output hidden
-            # states by `routing_weights` on the corresponding tokens (top-1 and top-2)
-            current_state = hidden_states[None, top_x].reshape(-1, hidden_dim)
-            expert_output = expert_layer(current_state)
-            current_hidden_states = expert_output * routing_weights[top_x, idx, None]
-            # However `index_add_` only support torch tensors for indexing so we'll use
-            # the `top_x` tensor here.
-            final_hidden_states.index_add_(
-                0, top_x, current_hidden_states.to(hidden_states.dtype)
-            )
+
+            if self.calibrate_all_experts:
+                expert_out = expert_layer(hidden_states)[top_x]
+            else:
+                expert_out = expert_layer(hidden_states[top_x])
+
+            # TODO: double check
+            if len(top_x) > 0:
+                current_hidden_states = expert_out * routing_weights[top_x, idx, None]
+                final_hidden_states.index_add_(
+                    0, top_x, current_hidden_states.to(hidden_states.dtype)
+                )
 
         final_hidden_states = final_hidden_states.reshape(
             batch_size, sequence_length, hidden_dim
         )
         return final_hidden_states, router_logits
 
 
-def replace(config: Qwen3MoeConfig, module: OriginalQwen3MoeSparseMoeBlock):
-    return Qwen3MoeSparseMoeBlock(config=config, original=module)
+def replace(
+    config: Qwen3MoeConfig,
+    module: OriginalQwen3MoeSparseMoeBlock,
+    calibrate_all_experts: bool,
+):
+    return Qwen3MoeSparseMoeBlock(
+        config=config, original=module, calibrate_all_experts=calibrate_all_experts
+    )