// SPF Smart Gateway - Multi-Head Self-Attention // Copyright 2026 Joseph Stone - All Rights Reserved // // Scaled dot-product attention with multi-head projection. // Supports both causal (decoder) and bidirectional (encoder) masking. // Pure Rust — builds on tensor.rs only. // // Depends on: tensor.rs (Layer 0) use crate::tensor::Tensor; // ============================================================================ // ACTIVATION CACHE (for backward pass — P2-C) // ============================================================================ /// Cached activations from attention forward pass (for backward) pub struct AttentionCache { /// Q projections [batch, n_heads, seq, d_head] pub q: Tensor, /// K projections [batch, n_heads, seq, d_head] pub k: Tensor, /// V projections [batch, n_heads, seq, d_head] pub v: Tensor, /// Attention weights [batch, n_heads, seq, seq] pub attn_weights: Tensor, /// Input to projections [batch*seq, d_model] pub input: Tensor, /// Scale factor (1/sqrt(d_head)) pub scale: f32, } // ============================================================================ // ATTENTION CONFIGURATION // ============================================================================ /// Configuration for multi-head attention #[derive(Debug, Clone)] pub struct AttentionConfig { /// Model dimension (total across all heads) pub d_model: usize, /// Number of attention heads pub n_heads: usize, /// Whether to apply causal masking (decoder-style) pub causal: bool, } impl AttentionConfig { /// Dimension per head: d_model / n_heads pub fn d_head(&self) -> usize { self.d_model / self.n_heads } } // ============================================================================ // MULTI-HEAD ATTENTION // ============================================================================ /// Multi-head self-attention layer. /// /// Contains Q, K, V projection weights and output projection. /// All weights stored as 2D tensors [d_model, d_model]. pub struct MultiHeadAttention { pub config: AttentionConfig, /// Query projection: [d_model, d_model] pub w_q: Tensor, /// Key projection: [d_model, d_model] pub w_k: Tensor, /// Value projection: [d_model, d_model] pub w_v: Tensor, /// Output projection: [d_model, d_model] pub w_o: Tensor, /// Query bias: [d_model] pub b_q: Tensor, /// Key bias: [d_model] pub b_k: Tensor, /// Value bias: [d_model] pub b_v: Tensor, /// Output bias: [d_model] pub b_o: Tensor, } impl MultiHeadAttention { /// Initialize with Xavier/Glorot uniform scaling /// Scale = sqrt(6 / (fan_in + fan_out)) for uniform distribution /// For d_model=256: scale ≈ 0.108 pub fn new(config: AttentionConfig, seed: u64) -> Self { let d = config.d_model; let scale = (6.0 / (d + d) as f32).sqrt(); Self { w_q: Tensor::randn(&[d, d], seed).scale(scale), w_k: Tensor::randn(&[d, d], seed + 1).scale(scale), w_v: Tensor::randn(&[d, d], seed + 2).scale(scale), w_o: Tensor::randn(&[d, d], seed + 3).scale(scale), b_q: Tensor::zeros(&[d]), b_k: Tensor::zeros(&[d]), b_v: Tensor::zeros(&[d]), b_o: Tensor::zeros(&[d]), config, } } /// Forward pass: input [batch, seq_len, d_model] → output [batch, seq_len, d_model] /// /// Steps: /// 1. Project input to Q, K, V using learned weights /// 2. Split into multiple heads /// 3. Compute scaled dot-product attention per head /// 4. Concatenate heads and project output pub fn forward(&self, x: &Tensor) -> Result { if x.ndim() != 3 { return Err(format!("Attention expects 3D input [batch, seq, d_model], got {}D", x.ndim())); } let batch = x.shape[0]; let seq_len = x.shape[1]; let d_model = x.shape[2]; if d_model != self.config.d_model { return Err(format!( "Input d_model {} doesn't match config {}", d_model, self.config.d_model )); } let n_heads = self.config.n_heads; let d_head = self.config.d_head(); // Reshape input to [batch * seq_len, d_model] for matmul let x_2d = x.reshape(&[batch * seq_len, d_model])?; // Project Q, K, V: [batch*seq, d_model] × [d_model, d_model] = [batch*seq, d_model] let q = x_2d.matmul(&self.w_q.transpose_2d()?)?.add(&self.expand_bias(&self.b_q, batch * seq_len))?; let k = x_2d.matmul(&self.w_k.transpose_2d()?)?.add(&self.expand_bias(&self.b_k, batch * seq_len))?; let v = x_2d.matmul(&self.w_v.transpose_2d()?)?.add(&self.expand_bias(&self.b_v, batch * seq_len))?; // Reshape to [batch, seq_len, n_heads, d_head] let q = q.reshape(&[batch, seq_len, n_heads, d_head])?; let k = k.reshape(&[batch, seq_len, n_heads, d_head])?; let v = v.reshape(&[batch, seq_len, n_heads, d_head])?; // Transpose to [batch, n_heads, seq_len, d_head] for attention computation let q = self.transpose_heads(&q, batch, seq_len, n_heads, d_head)?; let k = self.transpose_heads(&k, batch, seq_len, n_heads, d_head)?; let v = self.transpose_heads(&v, batch, seq_len, n_heads, d_head)?; // Compute attention for each batch × head combination let scale = 1.0 / (d_head as f32).sqrt(); let mut attn_output = Vec::with_capacity(batch * n_heads * seq_len * d_head); for b in 0..batch { for h in 0..n_heads { let bh_offset = (b * n_heads + h) * seq_len * d_head; // Extract Q, K, V slices for this batch/head: [seq_len, d_head] let q_slice = Tensor::from_data( q.data[bh_offset..bh_offset + seq_len * d_head].to_vec(), vec![seq_len, d_head], )?; let k_slice = Tensor::from_data( k.data[bh_offset..bh_offset + seq_len * d_head].to_vec(), vec![seq_len, d_head], )?; let v_slice = Tensor::from_data( v.data[bh_offset..bh_offset + seq_len * d_head].to_vec(), vec![seq_len, d_head], )?; // Attention scores: Q × K^T / sqrt(d_head) → [seq_len, seq_len] let k_t = k_slice.transpose_2d()?; let scores = q_slice.matmul(&k_t)?.scale(scale); // Apply causal mask if needed (set future positions to -inf) let scores = if self.config.causal { self.apply_causal_mask(&scores, seq_len)? } else { scores }; // Softmax over last dimension → attention weights let weights = scores.softmax()?; // Weighted sum of values: weights × V → [seq_len, d_head] let head_out = weights.matmul(&v_slice)?; attn_output.extend_from_slice(&head_out.data); } } // Output is [batch, n_heads, seq_len, d_head] let attn_out = Tensor::from_data(attn_output, vec![batch, n_heads, seq_len, d_head])?; // Transpose back to [batch, seq_len, n_heads, d_head] let attn_out = self.transpose_heads_back(&attn_out, batch, seq_len, n_heads, d_head)?; // Reshape to [batch * seq_len, d_model] for output projection let concat = attn_out.reshape(&[batch * seq_len, d_model])?; // Output projection let output = concat.matmul(&self.w_o.transpose_2d()?)?.add(&self.expand_bias(&self.b_o, batch * seq_len))?; // Reshape back to [batch, seq_len, d_model] output.reshape(&[batch, seq_len, d_model]) } /// Forward pass that also returns cached activations for backward. /// Output is IDENTICAL to forward(). Cache is additional data only. pub fn forward_with_cache(&self, x: &Tensor) -> Result<(Tensor, AttentionCache), String> { if x.ndim() != 3 { return Err(format!("Attention expects 3D input [batch, seq, d_model], got {}D", x.ndim())); } let batch = x.shape[0]; let seq_len = x.shape[1]; let d_model = x.shape[2]; if d_model != self.config.d_model { return Err(format!("Input d_model {} doesn't match config {}", d_model, self.config.d_model)); } let n_heads = self.config.n_heads; let d_head = self.config.d_head(); let x_2d = x.reshape(&[batch * seq_len, d_model])?; let input_cache = x_2d.clone(); let q = x_2d.matmul(&self.w_q.transpose_2d()?)?.add(&self.expand_bias(&self.b_q, batch * seq_len))?; let k = x_2d.matmul(&self.w_k.transpose_2d()?)?.add(&self.expand_bias(&self.b_k, batch * seq_len))?; let v = x_2d.matmul(&self.w_v.transpose_2d()?)?.add(&self.expand_bias(&self.b_v, batch * seq_len))?; let q = q.reshape(&[batch, seq_len, n_heads, d_head])?; let k = k.reshape(&[batch, seq_len, n_heads, d_head])?; let v = v.reshape(&[batch, seq_len, n_heads, d_head])?; let q = self.transpose_heads(&q, batch, seq_len, n_heads, d_head)?; let k = self.transpose_heads(&k, batch, seq_len, n_heads, d_head)?; let v = self.transpose_heads(&v, batch, seq_len, n_heads, d_head)?; let scale = 1.0 / (d_head as f32).sqrt(); let mut attn_output = Vec::with_capacity(batch * n_heads * seq_len * d_head); let mut all_weights = Vec::with_capacity(batch * n_heads * seq_len * seq_len); for b in 0..batch { for h in 0..n_heads { let bh_offset = (b * n_heads + h) * seq_len * d_head; let q_slice = Tensor::from_data( q.data[bh_offset..bh_offset + seq_len * d_head].to_vec(), vec![seq_len, d_head], )?; let k_slice = Tensor::from_data( k.data[bh_offset..bh_offset + seq_len * d_head].to_vec(), vec![seq_len, d_head], )?; let v_slice = Tensor::from_data( v.data[bh_offset..bh_offset + seq_len * d_head].to_vec(), vec![seq_len, d_head], )?; let scores = q_slice.matmul(&k_slice.transpose_2d()?)?.scale(scale); let scores = if self.config.causal { self.apply_causal_mask(&scores, seq_len)? } else { scores }; let weights = scores.softmax()?; let head_out = weights.matmul(&v_slice)?; all_weights.extend_from_slice(&weights.data); attn_output.extend_from_slice(&head_out.data); } } let attn_out = Tensor::from_data(attn_output, vec![batch, n_heads, seq_len, d_head])?; let attn_weights = Tensor::from_data(all_weights, vec![batch, n_heads, seq_len, seq_len])?; let attn_out = self.transpose_heads_back(&attn_out, batch, seq_len, n_heads, d_head)?; let concat = attn_out.reshape(&[batch * seq_len, d_model])?; let output = concat.matmul(&self.w_o.transpose_2d()?)?.add(&self.expand_bias(&self.b_o, batch * seq_len))?; let output = output.reshape(&[batch, seq_len, d_model])?; let cache = AttentionCache { q: q, k: k, v: v, attn_weights, input: input_cache, scale, }; Ok((output, cache)) } /// Forward pass with cross-attention (for decoder attending to encoder output) /// q_input: decoder state [batch, dec_seq, d_model] /// kv_input: encoder output [batch, enc_seq, d_model] pub fn forward_cross( &self, q_input: &Tensor, kv_input: &Tensor, ) -> Result { let batch = q_input.shape[0]; let dec_seq = q_input.shape[1]; let enc_seq = kv_input.shape[1]; let d_model = q_input.shape[2]; let n_heads = self.config.n_heads; let d_head = self.config.d_head(); // Project Q from decoder, K/V from encoder let q_2d = q_input.reshape(&[batch * dec_seq, d_model])?; let kv_2d = kv_input.reshape(&[batch * enc_seq, d_model])?; let q = q_2d.matmul(&self.w_q.transpose_2d()?)?.add(&self.expand_bias(&self.b_q, batch * dec_seq))?; let k = kv_2d.matmul(&self.w_k.transpose_2d()?)?.add(&self.expand_bias(&self.b_k, batch * enc_seq))?; let v = kv_2d.matmul(&self.w_v.transpose_2d()?)?.add(&self.expand_bias(&self.b_v, batch * enc_seq))?; let q = q.reshape(&[batch, dec_seq, n_heads, d_head])?; let k = k.reshape(&[batch, enc_seq, n_heads, d_head])?; let v = v.reshape(&[batch, enc_seq, n_heads, d_head])?; let q = self.transpose_heads(&q, batch, dec_seq, n_heads, d_head)?; let k = self.transpose_heads(&k, batch, enc_seq, n_heads, d_head)?; let v = self.transpose_heads(&v, batch, enc_seq, n_heads, d_head)?; let scale = 1.0 / (d_head as f32).sqrt(); let mut attn_output = Vec::with_capacity(batch * n_heads * dec_seq * d_head); for b in 0..batch { for h in 0..n_heads { let q_off = (b * n_heads + h) * dec_seq * d_head; let k_off = (b * n_heads + h) * enc_seq * d_head; let q_slice = Tensor::from_data( q.data[q_off..q_off + dec_seq * d_head].to_vec(), vec![dec_seq, d_head], )?; let k_slice = Tensor::from_data( k.data[k_off..k_off + enc_seq * d_head].to_vec(), vec![enc_seq, d_head], )?; let v_slice = Tensor::from_data( v.data[k_off..k_off + enc_seq * d_head].to_vec(), vec![enc_seq, d_head], )?; // Q[dec_seq, d_head] × K^T[d_head, enc_seq] → [dec_seq, enc_seq] let scores = q_slice.matmul(&k_slice.transpose_2d()?)?.scale(scale); // No causal mask for cross-attention — decoder can attend to all encoder positions let weights = scores.softmax()?; let head_out = weights.matmul(&v_slice)?; attn_output.extend_from_slice(&head_out.data); } } let attn_out = Tensor::from_data(attn_output, vec![batch, n_heads, dec_seq, d_head])?; let attn_out = self.transpose_heads_back(&attn_out, batch, dec_seq, n_heads, d_head)?; let concat = attn_out.reshape(&[batch * dec_seq, d_model])?; let output = concat.matmul(&self.w_o.transpose_2d()?)?.add(&self.expand_bias(&self.b_o, batch * dec_seq))?; output.reshape(&[batch, dec_seq, d_model]) } // ======================================================================== // INTERNAL HELPERS // ======================================================================== /// Transpose [batch, seq, n_heads, d_head] → [batch, n_heads, seq, d_head] fn transpose_heads( &self, t: &Tensor, batch: usize, seq: usize, n_heads: usize, d_head: usize, ) -> Result { let mut out = vec![0.0f32; batch * n_heads * seq * d_head]; for b in 0..batch { for s in 0..seq { for h in 0..n_heads { for d in 0..d_head { let src_idx = ((b * seq + s) * n_heads + h) * d_head + d; let dst_idx = ((b * n_heads + h) * seq + s) * d_head + d; out[dst_idx] = t.data[src_idx]; } } } } Tensor::from_data(out, vec![batch, n_heads, seq, d_head]) } /// Transpose [batch, n_heads, seq, d_head] → [batch, seq, n_heads, d_head] fn transpose_heads_back( &self, t: &Tensor, batch: usize, seq: usize, n_heads: usize, d_head: usize, ) -> Result { let mut out = vec![0.0f32; batch * seq * n_heads * d_head]; for b in 0..batch { for h in 0..n_heads { for s in 0..seq { for d in 0..d_head { let src_idx = ((b * n_heads + h) * seq + s) * d_head + d; let dst_idx = ((b * seq + s) * n_heads + h) * d_head + d; out[dst_idx] = t.data[src_idx]; } } } } Tensor::from_data(out, vec![batch, seq, n_heads * d_head]) } /// Apply causal mask: set attention scores for future positions to -inf fn apply_causal_mask(&self, scores: &Tensor, seq_len: usize) -> Result { let mut data = scores.data.clone(); for i in 0..seq_len { for j in (i + 1)..seq_len { data[i * seq_len + j] = f32::NEG_INFINITY; } } Tensor::from_data(data, scores.shape.clone()) } /// Expand bias [d_model] to [n_rows, d_model] for addition after matmul fn expand_bias(&self, bias: &Tensor, n_rows: usize) -> Tensor { let d = bias.numel(); let mut data = Vec::with_capacity(n_rows * d); for _ in 0..n_rows { data.extend_from_slice(&bias.data); } Tensor { data, shape: vec![n_rows, d] } } /// Total number of parameters in this attention layer pub fn num_params(&self) -> usize { let d = self.config.d_model; // 4 weight matrices [d,d] + 4 bias vectors [d] 4 * d * d + 4 * d } /// Collect all weight tensors (for serialization / gradient updates) pub fn weights(&self) -> Vec<&Tensor> { vec![&self.w_q, &self.w_k, &self.w_v, &self.w_o, &self.b_q, &self.b_k, &self.b_v, &self.b_o] } /// Collect all weight tensors mutably (for optimizer updates) pub fn weights_mut(&mut self) -> Vec<&mut Tensor> { vec![&mut self.w_q, &mut self.w_k, &mut self.w_v, &mut self.w_o, &mut self.b_q, &mut self.b_k, &mut self.b_v, &mut self.b_o] } } // ============================================================================ // TESTS // ============================================================================ #[cfg(test)] mod tests { use super::*; fn test_config() -> AttentionConfig { AttentionConfig { d_model: 64, n_heads: 4, causal: false, } } #[test] fn test_attention_output_shape() { let attn = MultiHeadAttention::new(test_config(), 42); let x = Tensor::randn(&[2, 8, 64], 99); // batch=2, seq=8, d=64 let out = attn.forward(&x).unwrap(); assert_eq!(out.shape, vec![2, 8, 64]); } #[test] fn test_attention_causal_mask() { let config = AttentionConfig { d_model: 64, n_heads: 4, causal: true, }; let attn = MultiHeadAttention::new(config, 42); let x = Tensor::randn(&[1, 4, 64], 99); let out = attn.forward(&x).unwrap(); assert_eq!(out.shape, vec![1, 4, 64]); // Values should be finite (causal mask doesn't break softmax) assert!(out.data.iter().all(|v| v.is_finite())); } #[test] fn test_cross_attention_shape() { let config = AttentionConfig { d_model: 64, n_heads: 4, causal: false, }; let attn = MultiHeadAttention::new(config, 42); let dec = Tensor::randn(&[1, 4, 64], 99); // decoder: seq=4 let enc = Tensor::randn(&[1, 8, 64], 100); // encoder: seq=8 let out = attn.forward_cross(&dec, &enc).unwrap(); assert_eq!(out.shape, vec![1, 4, 64]); // output follows decoder seq_len } #[test] fn test_num_params() { let attn = MultiHeadAttention::new(test_config(), 42); // d=64: 4×64×64 + 4×64 = 16384 + 256 = 16640 assert_eq!(attn.num_params(), 16640); } #[test] fn test_d_head() { let config = AttentionConfig { d_model: 256, n_heads: 8, causal: false }; assert_eq!(config.d_head(), 32); } #[test] fn test_dimension_mismatch() { let attn = MultiHeadAttention::new(test_config(), 42); let x = Tensor::randn(&[1, 4, 32], 99); // wrong d_model assert!(attn.forward(&x).is_err()); } #[test] fn test_weights_count() { let attn = MultiHeadAttention::new(test_config(), 42); assert_eq!(attn.weights().len(), 8); // 4 weight matrices + 4 biases } }