import torch import torch.nn.functional as F from torch import nn __all__ = ['InfoNCE', 'info_nce'] class InfoNCE(nn.Module): """ Calculates the InfoNCE loss for self-supervised learning. This contrastive loss enforces the embeddings of similar (positive) samples to be close and those of different (negative) samples to be distant. A query embedding is compared with one positive key and with one or more negative keys. References: https://arxiv.org/abs/1807.03748v2 https://arxiv.org/abs/2010.05113 Args: temperature: Logits are divided by temperature before calculating the cross entropy. reduction: Reduction method applied to the output. Value must be one of ['none', 'sum', 'mean']. See torch.nn.functional.cross_entropy for more details about each option. negative_mode: Determines how the (optional) negative_keys are handled. Value must be one of ['paired', 'unpaired']. If 'paired', then each query sample is paired with a number of negative keys. Comparable to a triplet loss, but with multiple negatives per sample. If 'unpaired', then the set of negative keys are all unrelated to any positive key. Input shape: query: (N, D) Tensor with query samples (e.g. embeddings of the input). positive_key: (N, D) Tensor with positive samples (e.g. embeddings of augmented input). negative_keys (optional): Tensor with negative samples (e.g. embeddings of other inputs) If negative_mode = 'paired', then negative_keys is a (N, M, D) Tensor. If negative_mode = 'unpaired', then negative_keys is a (M, D) Tensor. If None, then the negative keys for a sample are the positive keys for the other samples. Returns: Value of the InfoNCE Loss. Examples: >>> loss = InfoNCE() >>> batch_size, num_negative, embedding_size = 32, 48, 128 >>> query = torch.randn(batch_size, embedding_size) >>> positive_key = torch.randn(batch_size, embedding_size) >>> negative_keys = torch.randn(num_negative, embedding_size) >>> output = loss(query, positive_key, negative_keys) """ def __init__(self, temperature=0.1, reduction='mean', negative_mode='unpaired'): super().__init__() self.temperature = temperature self.reduction = reduction self.negative_mode = negative_mode def forward(self, query, positive_key, negative_keys=None): return info_nce(query, positive_key, negative_keys, temperature=self.temperature, reduction=self.reduction, negative_mode=self.negative_mode) def info_nce(query, positive_key, negative_keys=None, temperature=0.1, reduction='mean', negative_mode='unpaired'): # Check input dimensionality. if query.dim() != 2: raise ValueError(' must have 2 dimensions.') if positive_key.dim() != 2: raise ValueError(' must have 2 dimensions.') if negative_keys is not None: if negative_mode == 'unpaired' and negative_keys.dim() != 2: raise ValueError(" must have 2 dimensions if == 'unpaired'.") if negative_mode == 'paired' and negative_keys.dim() != 3: raise ValueError(" must have 3 dimensions if == 'paired'.") # Check matching number of samples. if len(query) != len(positive_key): raise ValueError(' and must must have the same number of samples.') if negative_keys is not None: if negative_mode == 'paired' and len(query) != len(negative_keys): raise ValueError("If negative_mode == 'paired', then must have the same number of samples as .") # Embedding vectors should have same number of components. if query.shape[-1] != positive_key.shape[-1]: raise ValueError('Vectors of and should have the same number of components.') if negative_keys is not None: if query.shape[-1] != negative_keys.shape[-1]: raise ValueError('Vectors of and should have the same number of components.') # Normalize to unit vectors query, positive_key, negative_keys = normalize(query, positive_key, negative_keys) if negative_keys is not None: # Explicit negative keys # Cosine between positive pairs positive_logit = torch.sum(query * positive_key, dim=1, keepdim=True) if negative_mode == 'unpaired': # Cosine between all query-negative combinations negative_logits = query @ transpose(negative_keys) elif negative_mode == 'paired': query = query.unsqueeze(1) negative_logits = query @ transpose(negative_keys) negative_logits = negative_logits.squeeze(1) # First index in last dimension are the positive samples logits = torch.cat([positive_logit, negative_logits], dim=1) labels = torch.zeros(len(logits), dtype=torch.long, device=query.device) else: # Negative keys are implicitly off-diagonal positive keys. # Cosine between all combinations logits = query @ transpose(positive_key) # Positive keys are the entries on the diagonal labels = torch.arange(len(query), device=query.device) return F.cross_entropy(logits / temperature, labels, reduction=reduction) def transpose(x): return x.transpose(-2, -1) def normalize(*xs): return [None if x is None else F.normalize(x, dim=-1) for x in xs]