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LLM Fundamentals

Core concepts underlying modern Large Language Models. Essential grounding for agent engineering.


Transformer Architecture

Attention Mechanism

Attention(Q, K, V) = softmax(QK^T / √d_k) V
Component Role
Query (Q) What we're looking for
Key (K) What we're matching against
Value (V) What we're extracting
Scale (√d_k) Prevents gradient vanishing for large d_k

Multi-Head Attention

  • Multiple attention heads in parallel
  • Each head learns different relational patterns
  • Concatenated + projected: MultiHead(Q,K,V) = Concat(head_1...head_h)W^O

Transformer Block

Input → LayerNorm → MultiHeadAttention → Residual
    → LayerNorm → FFN (GeLU/SwiGLU) → Residual → Output

Key variants: - Pre-LN (standard): LayerNorm before attention/FFN - Post-LN (original): LayerNorm after residual - Parallel: Attention + FFN in parallel (PaLM, GPT-NeoX)


Training Pipeline

1. Pretraining

Objective: Next-token prediction (causal LM)

L = -Σ log P(x_t | x_<t; θ)

Data: Trillions of tokens (CommonCrawl, code, books, Wikipedia) - Deduplication critical for quality - Data mixing ratios heavily tuned - Curriculum learning (easy → hard) sometimes used

Compute scaling laws (Kaplan et al., Chinchilla):

L(N, D) ≈ E + A/N^α + B/D^β
  • Optimal: N ∝ D^0.5 (Chinchilla) vs N ∝ D^0.3 (Kaplan)
  • Compute-optimal: Train smaller models longer on more data

2. Supervised Fine-Tuning (SFT)

Objective: Instruction following - High-quality (prompt, response) pairs - Formats: Alpaca, ShareGPT, ChatML, system+user+assistant - Data quality > quantity (LIMA: 1k examples sufficient)

3. Preference Alignment

Method Mechanism Pros Cons
RLHF/PPO Reward model + RL Strong alignment Complex, unstable
DPO Direct preference optimization Simple, stable Requires paired prefs
KTO Kahneman-Tversky optimization Only needs (x, y, label) Newer, less proven
ORPO Odds ratio preference optimization No reference model Recent
RLAIF AI feedback (constitutional) Scalable Depends on critic quality

4. Continued Pretraining / Domain Adaptation

  • Additional pretraining on domain corpus (code, legal, medical)
  • Often + SFT on domain instructions
  • Catastrophic forgetting mitigated by replay, low LR

Inference Mechanics

Autoregressive Generation

for t in 1..T:
    logits = model(x_<t)
    x_t = sample(logits / temperature)

Sampling Strategies

Strategy Description Use Case
Greedy argmax Deterministic, debugging
Temperature Softmax(logits/T) Creative (T>1), focused (T<1)
Top-k Keep top k tokens Balance diversity/quality
Top-p (nucleus) Keep minimal set with cumprob ≥ p Dynamic, popular default
Typical Tokens near expected information content Coherent, less repetitive

KV Cache

  • Problem: O(T²) attention recomputation
  • Solution: Cache K, V for past tokens
  • Memory: 2 × layers × heads × head_dim × seq_len × bytes
  • Optimizations: Quantization (KV-8bit), sliding window, paging (vLLM)

Speculative Decoding

Draft model (small) → generates k tokens
Target model (large) → verifies in parallel
Accept/reject → if reject, fallback to target
  • Speedup: 2-3× typical
  • Draft models: Smaller distilled, n-gram, MLP predictor

Model Families & Architectures

Dense Transformers

Model Architecture Context Notable
GPT-4/4o Dense (MoE rumored) 128k/1M Multimodal, strong reasoning
Claude 3/3.5 Dense 200k/1M Constitutional AI, long context
Llama 3/3.1 Dense (GQA) 8k/128k Open weights, strong base
Qwen 2/2.5 Dense (GQA) 32k/128k Multilingual, code strong
Nemotron 3/4 Dense 4k/128k NVIDIA, alignment focus

Mixture of Experts (MoE)

Model Experts Active Notes
Mixtral 8x7B 8 2 47B total, 13B active
Mixtral 8x22B 8 2 141B total, 39B active
DeepSeek-V2/V3 160/256 6/8 MLA, auxiliary-loss-free
Qwen-MoE 64 4 Open weights
Nemotron-4-340B ? ? NVIDIA, synthetic data

Specialized Architectures

Architecture Innovation Examples
MLA (Multi-head Latent Attention) Compressed KV cache DeepSeek-V2/V3
GQA (Grouped Query Attention) Fewer KV heads Llama 3, Qwen, Gemma
MQA (Multi-Query Attention) Single KV head PaLM, Falcon
Sliding Window Local attention Mistral, LongLoRA
Linear Attention / RNN hybrids O(N) inference RWKV, Mamba, RetNet, Griffin

Scaling Laws & Trade-offs

Chinchilla Scaling (Compute-Optimal)

Compute (FLOPs) Params (N) Tokens (D) Example
10^18 1.3B 200B Small
10^21 7B 1.4T Medium
10^24 70B 14T Large
10^25 340B 60T Frontier

Inference Cost Model

Cost ∝ (Prefill: O(N × L²) + Decode: O(N × L × T))
  • Prefill: Quadratic in context (attention)
  • Decode: Linear in context (KV cache)
  • Optimization: Reduce N (distillation, quantization), reduce L (compression), reduce T (speculative)

Quantization

Method Bits Quality Loss Speedup
FP16/BF16 16 None 1× (baseline)
INT8 8 Minimal ~1.5×
GPTQ/AWQ 4 Low ~2-3×
GGUF/llama.cpp 2-8 Variable CPU-friendly
FP8 8 (E4M3/E5M2) Low H100 native

Multimodal Foundations

Vision-Language

  • Architecture: Vision encoder (ViT/CLIP) + projector + LLM
  • Training: Image-text pairs → alignment → instruction tuning
  • Examples: GPT-4o, Claude 3.5, LLaVA, Qwen-VL, InternVL

Audio/Speech

  • Architecture: Audio encoder (Whisper-style) + projector + LLM
  • Streaming: Chunked processing, voice activity detection
  • Examples: GPT-4o Audio, Qwen-Audio, Moshi, Ultravox

Unified Multimodal

  • Native: Single transformer from pixels/tokens/audio (Chameleon, Transfusion)
  • Tokenization: Discrete tokens for all modalities (VQ-VAE, DAC)

Key References

Topic Essential Reading
Transformer "Attention Is All You Need" (Vaswani et al., 2017)
Scaling Laws "Scaling Laws for Neural Language Models" (Kaplan et al., 2020)
Chinchilla "Training Compute-Optimal Large Language Models" (Hoffmann et al., 2022)
RLHF "Training Language Models to Follow Instructions" (Ouyang et al., 2022)
DPO "Direct Preference Optimization" (Rafailov et al., 2023)
MoE "GShard: Scaling Giant Models" (Lepikhin et al., 2020)
DeepSeek MoE "DeepSeek-V2: A Strong, Economical Mixture-of-Experts" (2024)
Speculative Decoding "Accelerating LLM Inference" (Leviathan et al., 2023)
vLLM "Efficient Memory Management for LLM Serving" (Kwon et al., 2023)


Sources: Original papers, LLM training books (Sebastian Raschka, Huyen Chip), framework docs (vLLM, SGLang, TensorRT-LLM), scaling law replications, Chinchilla/Hoffmann et al., DeepSeek technical reports.

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