import torch import torch.nn as nn import torch.nn.functional as F import math from typing import Optional # ============================================================================= # Biology Data # ============================================================================= GENETIC_CODE = { 'ATA':'I', 'ATC':'I', 'ATT':'I', 'ATG':'M', 'ACA':'T', 'ACC':'T', 'ACG':'T', 'ACT':'T', 'AAC':'N', 'AAT':'N', 'AAA':'K', 'AAG':'K', 'AGC':'S', 'AGT':'S', 'AGA':'R', 'AGG':'R', 'CTA':'L', 'CTC':'L', 'CTG':'L', 'CTT':'L', 'CCA':'P', 'CCC':'P', 'CCG':'P', 'CCT':'P', 'CAC':'H', 'CAT':'H', 'CAA':'Q', 'CAG':'Q', 'CGA':'R', 'CGC':'R', 'CGG':'R', 'CGT':'R', 'GTA':'V', 'GTC':'V', 'GTG':'V', 'GTT':'V', 'GCA':'A', 'GCC':'A', 'GCG':'A', 'GCT':'A', 'GAC':'D', 'GAT':'D', 'GAA':'E', 'GAG':'E', 'GGA':'G', 'GGC':'A', 'GGG':'G', 'GGT':'G', # Note: GGC is G, typo in some maps but let's be careful 'TCA':'S', 'TCC':'S', 'TCG':'S', 'TCT':'S', 'TTC':'F', 'TTT':'F', 'TTA':'L', 'TTG':'L', 'TAC':'Y', 'TAT':'Y', 'TAA':'*', 'TAG':'*', 'TGC':'C', 'TGT':'C', 'TGA':'*', 'TGG':'W', } # Correction GENETIC_CODE['GGC'] = 'G' BASES = ['A', 'C', 'G', 'T'] CODON_TO_INDEX = {b1+b2+b3: i for i, (b1,b2,b3) in enumerate([(b1,b2,b3) for b1 in BASES for b2 in BASES for b3 in BASES])} INDEX_TO_CODON = {v: k for k, v in CODON_TO_INDEX.items()} # ============================================================================= # Hyperbolic Utilities # ============================================================================= def exp_map_zero(x: torch.Tensor, c: float = 1.0) -> torch.Tensor: sqrt_c = math.sqrt(c) norm_x = torch.norm(x, p=2, dim=-1, keepdim=True) norm_x = torch.clamp(norm_x, min=1e-15) res = torch.tanh(sqrt_c * norm_x) * x / (sqrt_c * norm_x) return res def project_to_poincare(z: torch.Tensor, max_norm: float = 0.95, c: float = 1.0) -> torch.Tensor: norm = torch.norm(z, p=2, dim=-1, keepdim=True) mask = norm > max_norm projected = (z / norm) * max_norm return torch.where(mask, projected, z) # ============================================================================= # Codon Encoder # ============================================================================= class CodonEncoderMLP(nn.Module): def __init__(self, latent_dim=16, hidden_dim=64, dropout=0.1): super().__init__() self.encoder = nn.Sequential( nn.Linear(12, hidden_dim), nn.LayerNorm(hidden_dim), nn.SiLU(), nn.Dropout(dropout), nn.Linear(hidden_dim, hidden_dim), nn.LayerNorm(hidden_dim), nn.SiLU(), nn.Dropout(dropout), nn.Linear(hidden_dim, latent_dim) ) def forward(self, x): return self.encoder(x) class TrainableCodonEncoder(nn.Module): def __init__(self, latent_dim=16, hidden_dim=64, curvature=1.0, max_radius=0.9, dropout=0.1): super().__init__() self.latent_dim = latent_dim; self.curvature = curvature; self.max_radius = max_radius self.encoder = CodonEncoderMLP(latent_dim, hidden_dim, dropout) # Precompute one-hots onehots = torch.zeros(64, 12) base_to_idx = {'A':0, 'C':1, 'G':2, 'T':3, 'U':3} for i in range(64): codon = INDEX_TO_CODON[i] for pos, base in enumerate(codon): onehots[i, pos*4 + base_to_idx[base]] = 1.0 self.register_buffer('codon_onehots', onehots) def encode_all(self): z_tangent = self.encoder(self.codon_onehots) z_hyp = exp_map_zero(z_tangent, c=self.curvature) return project_to_poincare(z_hyp, max_norm=self.max_radius, c=self.curvature) def forward(self, codon_indices): flat_indices = codon_indices.flatten() onehots = self.codon_onehots[flat_indices] z_tangent = self.encoder(onehots) z_hyp = exp_map_zero(z_tangent, c=self.curvature) z_hyp = project_to_poincare(z_hyp, max_norm=self.max_radius, c=self.curvature) if len(codon_indices.shape) > 1: z_hyp = z_hyp.view(*codon_indices.shape, self.latent_dim) return z_hyp