# # Source code: https://github.com/davidmrau/mixture-of-experts # # Sparsely-Gated Mixture-of-Experts Layers. # See "Outrageously Large Neural Networks" # https://arxiv.org/abs/1701.06538 # # Author: David Rau # # The code is based on the TensorFlow implementation: # https://github.com/tensorflow/tensor2tensor/blob/master/tensor2tensor/utils/expert_utils.py import torch import torch.nn as nn from torch.distributions.normal import Normal from copy import deepcopy import numpy as np from libs import Mlp as MLP class SparseDispatcher(object): """Helper for implementing a mixture of experts. The purpose of this class is to create input minibatches for the experts and to combine the results of the experts to form a unified output tensor. There are two functions: dispatch - take an input Tensor and create input Tensors for each expert. combine - take output Tensors from each expert and form a combined output Tensor. Outputs from different experts for the same batch element are summed together, weighted by the provided "gates". The class is initialized with a "gates" Tensor, which specifies which batch elements go to which experts, and the weights to use when combining the outputs. Batch element b is sent to expert e iff gates[b, e] != 0. The inputs and outputs are all two-dimensional [batch, depth]. Caller is responsible for collapsing additional dimensions prior to calling this class and reshaping the output to the original shape. See common_layers.reshape_like(). Example use: gates: a float32 `Tensor` with shape `[batch_size, num_experts]` inputs: a float32 `Tensor` with shape `[batch_size, input_size]` experts: a list of length `num_experts` containing sub-networks. dispatcher = SparseDispatcher(num_experts, gates) expert_inputs = dispatcher.dispatch(inputs) expert_outputs = [experts[i](expert_inputs[i]) for i in range(num_experts)] outputs = dispatcher.combine(expert_outputs) The preceding code sets the output for a particular example b to: output[b] = Sum_i(gates[b, i] * experts[i](inputs[b])) This class takes advantage of sparsity in the gate matrix by including in the `Tensor`s for expert i only the batch elements for which `gates[b, i] > 0`. """ def __init__(self, num_experts, gates): """Create a SparseDispatcher.""" self._gates = gates self._num_experts = num_experts # sort experts sorted_experts, index_sorted_experts = torch.nonzero(gates).sort(0) # drop indices _, self._expert_index = sorted_experts.split(1, dim=1) # get according batch index for each expert self._batch_index = torch.nonzero(gates)[index_sorted_experts[:, 1], 0] # calculate num samples that each expert gets self._part_sizes = (gates > 0).sum(0).tolist() # expand gates to match with self._batch_index gates_exp = gates[self._batch_index.flatten()] self._nonzero_gates = torch.gather(gates_exp, 1, self._expert_index) def dispatch(self, inp): """Create one input Tensor for each expert. The `Tensor` for a expert `i` contains the slices of `inp` corresponding to the batch elements `b` where `gates[b, i] > 0`. Args: inp: a `Tensor` of shape "[batch_size, ]` Returns: a list of `num_experts` `Tensor`s with shapes `[expert_batch_size_i, ]`. """ # assigns samples to experts whose gate is nonzero # expand according to batch index so we can just split by _part_sizes inp_exp = inp[self._batch_index].squeeze(1) return torch.split(inp_exp, self._part_sizes, dim=0) def combine(self, expert_out, multiply_by_gates=True, cnn_combine=None): """Sum together the expert output, weighted by the gates. The slice corresponding to a particular batch element `b` is computed as the sum over all experts `i` of the expert output, weighted by the corresponding gate values. If `multiply_by_gates` is set to False, the gate values are ignored. Args: expert_out: a list of `num_experts` `Tensor`s, each with shape `[expert_batch_size_i, ]`. multiply_by_gates: a boolean Returns: a `Tensor` with shape `[batch_size, ]`. """ # apply exp to expert outputs, so we are not longer in log space stitched = torch.cat(expert_out, 0) if multiply_by_gates: stitched = stitched.mul(self._nonzero_gates.unsqueeze(1)) zeros = torch.zeros((self._gates.size(0),) + expert_out[-1].shape[1:], requires_grad=True, device=stitched.device) # combine samples that have been processed by the same k experts if cnn_combine is not None: return self.smartly_combine(stitched, cnn_combine) combined = zeros.index_add(0, self._batch_index, stitched.float()) return combined def smartly_combine(self, stitched, cnn_combine): idxes = [] for i in self._batch_index.unique(): idx = (self._batch_index == i).nonzero().squeeze(1) idxes.append(idx) idxes = torch.stack(idxes) return cnn_combine(stitched[idxes]).squeeze(1) def expert_to_gates(self): """Gate values corresponding to the examples in the per-expert `Tensor`s. Returns: a list of `num_experts` one-dimensional `Tensor`s with type `tf.float32` and shapes `[expert_batch_size_i]` """ # split nonzero gates for each expert return torch.split(self._nonzero_gates, self._part_sizes, dim=0) def build_experts(experts_cfg, default_cfg, num_experts): experts_cfg = deepcopy(experts_cfg) if experts_cfg is None: # old build way return nn.ModuleList([ MLP(*default_cfg) for i in range(num_experts)]) # new build way: mix mlp with leff experts = [] for e_cfg in experts_cfg: type_ = e_cfg.pop('type') if type_ == 'mlp': experts.append(MLP(*default_cfg)) return nn.ModuleList(experts) class MoE(nn.Module): """Call a Sparsely gated mixture of experts layer with 1-layer Feed-Forward networks as experts. Args: input_size: integer - size of the input output_size: integer - size of the input num_experts: an integer - number of experts hidden_size: an integer - hidden size of the experts noisy_gating: a boolean k: an integer - how many experts to use for each batch element """ def __init__(self, input_size, output_size, num_experts, hidden_size, experts=None, noisy_gating=True, k=4, x_gating=None, with_noise=True, with_smart_merger=None): super(MoE, self).__init__() self.noisy_gating = noisy_gating self.num_experts = num_experts self.output_size = output_size self.input_size = input_size self.hidden_size = hidden_size self.k = k self.with_noise = with_noise # instantiate experts self.experts = build_experts( experts, (self.input_size, self.hidden_size, self.output_size), num_experts) self.w_gate = nn.Parameter(torch.zeros(input_size, num_experts), requires_grad=True) self.w_noise = nn.Parameter(torch.zeros(input_size, num_experts), requires_grad=True) self.x_gating = x_gating if self.x_gating == 'conv1d': self.x_gate = nn.Conv1d(4096, 1, kernel_size=3, padding=1) self.softplus = nn.Softplus() self.softmax = nn.Softmax(1) self.register_buffer("mean", torch.tensor([0.0])) self.register_buffer("std", torch.tensor([1.0])) assert(self.k <= self.num_experts) self.cnn_combine = None if with_smart_merger == 'v1': print('with SMART MERGER') self.cnn_combine = nn.Conv2d(self.k, 1, kernel_size=3, padding=1) def cv_squared(self, x): """The squared coefficient of variation of a sample. Useful as a loss to encourage a positive distribution to be more uniform. Epsilons added for numerical stability. Returns 0 for an empty Tensor. Args: x: a `Tensor`. Returns: a `Scalar`. """ eps = 1e-10 # if only num_experts = 1 if x.shape[0] == 1: return torch.tensor([0], device=x.device, dtype=x.dtype) return x.float().var() / (x.float().mean()**2 + eps) def _gates_to_load(self, gates): """Compute the true load per expert, given the gates. The load is the number of examples for which the corresponding gate is >0. Args: gates: a `Tensor` of shape [batch_size, n] Returns: a float32 `Tensor` of shape [n] """ return (gates > 0).sum(0) def _prob_in_top_k(self, clean_values, noisy_values, noise_stddev, noisy_top_values): """Helper function to NoisyTopKGating. Computes the probability that value is in top k, given different random noise. This gives us a way of backpropagating from a loss that balances the number of times each expert is in the top k experts per example. In the case of no noise, pass in None for noise_stddev, and the result will not be differentiable. Args: clean_values: a `Tensor` of shape [batch, n]. noisy_values: a `Tensor` of shape [batch, n]. Equal to clean values plus normally distributed noise with standard deviation noise_stddev. noise_stddev: a `Tensor` of shape [batch, n], or None noisy_top_values: a `Tensor` of shape [batch, m]. "values" Output of tf.top_k(noisy_top_values, m). m >= k+1 Returns: a `Tensor` of shape [batch, n]. """ batch = clean_values.size(0) m = noisy_top_values.size(1) top_values_flat = noisy_top_values.flatten() threshold_positions_if_in = torch.arange(batch, device=clean_values.device) * m + self.k threshold_if_in = torch.unsqueeze(torch.gather(top_values_flat, 0, threshold_positions_if_in), 1) is_in = torch.gt(noisy_values, threshold_if_in) threshold_positions_if_out = threshold_positions_if_in - 1 threshold_if_out = torch.unsqueeze(torch.gather(top_values_flat, 0, threshold_positions_if_out), 1) # is each value currently in the top k. normal = Normal(self.mean, self.std) prob_if_in = normal.cdf((clean_values - threshold_if_in)/noise_stddev) prob_if_out = normal.cdf((clean_values - threshold_if_out)/noise_stddev) prob = torch.where(is_in, prob_if_in, prob_if_out) return prob def noisy_top_k_gating(self, x, train, noise_epsilon=1e-2): """Noisy top-k gating. See paper: https://arxiv.org/abs/1701.06538. Args: x: input Tensor with shape [batch_size, input_size] train: a boolean - we only add noise at training time. noise_epsilon: a float Returns: gates: a Tensor with shape [batch_size, num_experts] load: a Tensor with shape [num_experts] """ clean_logits = x @ self.w_gate if self.noisy_gating and train: raw_noise_stddev = x @ self.w_noise noise_stddev = ((self.softplus(raw_noise_stddev) + noise_epsilon)) noisy_logits = clean_logits + (torch.randn_like(clean_logits) * noise_stddev) logits = noisy_logits else: logits = clean_logits # calculate topk + 1 that will be needed for the noisy gates top_logits, top_indices = logits.topk(min(self.k + 1, self.num_experts), dim=1) top_k_logits = top_logits[:, :self.k] top_k_indices = top_indices[:, :self.k] top_k_gates = self.softmax(top_k_logits) zeros = torch.zeros_like(logits, requires_grad=True) gates = zeros.scatter(1, top_k_indices, top_k_gates) if self.noisy_gating and self.k < self.num_experts and train: load = (self._prob_in_top_k(clean_logits, noisy_logits, noise_stddev, top_logits)).sum(0) else: load = self._gates_to_load(gates) return gates, load def forward(self, x, loss_coef=1e-2): """Args: x: tensor shape [batch_size, input_size] train: a boolean scalar. loss_coef: a scalar - multiplier on load-balancing losses Returns: y: a tensor with shape [batch_size, output_size]. extra_training_loss: a scalar. This should be added into the overall training loss of the model. The backpropagation of this loss encourages all experts to be approximately equally used across a batch. """ if self.x_gating is not None: xg = self.x_gate(x).squeeze(1) else: xg = x.mean(1) gates, load = self.noisy_top_k_gating( xg, self.training and self.with_noise) # calculate importance loss importance = gates.sum(0) # loss = self.cv_squared(importance) + self.cv_squared(load) loss *= loss_coef dispatcher = SparseDispatcher(self.num_experts, gates) expert_inputs = dispatcher.dispatch(x) gates = dispatcher.expert_to_gates() expert_outputs = [self.experts[i](expert_inputs[i]) for i in range(self.num_experts)] y = dispatcher.combine(expert_outputs, cnn_combine=self.cnn_combine) return y, loss