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Position: Understanding LLMs Requires More Than Statistical Generalization
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Position paper arguing LLMs should be studied in the saturation regime of test loss, using non-identifiability of autoregressive models to show that rule extrapolation, in-context learning, and fine-tunability are not explained by statistical generalization.
Problem
Statistical generalization (low train and test loss) does not explain desirable LLM properties such as zero-shot OOD rule extrapolation, in-context learning, and data-efficient fine-tunability, since autoregressive models with near-identical likelihood can behave very differently.
Approach
Argues for a shift from the interpolation regime to a "saturation regime" where test loss is near-minimal, and formalizes this via non-identifiability of AR probabilistic models (functional, epsilon-, and parameter non-identifiability), with three case studies attributing the behaviours to inductive biases.
Key results
- Transformer trained on a^nb^n PCFG extrapolates rule R1 on OOD prompts in 43.7% of cases while the loss is agnostic to this.
- Adversarial and oracle variants reach the same minimal test loss but show widely varying rule extrapolation performance.
- A proposition shows that for any epsilon>0, a distribution within epsilon KL of a mixture-of-HMMs pre-training distribution can fail to perform in-context learning, even with arbitrarily long prompts.
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Train a decoder-only Transformer on the a^n b^n PCFG | Decoder-only Transformer · a^n b^n PCFG, OOD prompts length 8 | rule R1 extrapolation: 43.7% | Helped |
| Add a supervised loss term with poisoned data | Decoder-only Transformer trained on the a^n b^n PCFG · a^n b^n PCFG, OOD prompts | rule extrapolation | Hurt |
| Add a supervised loss term with helpful data | Decoder-only Transformer trained on the a^n b^n PCFG · a^n b^n PCFG, OOD prompts | rule extrapolation | Helped |
| Change parameterization while preserving functional equivalence | Embedded small Transformer and larger model · Downstream fine-tuning | accuracy: 10% difference | Mixed |
Surprising findings
- Models matching the pre-training distribution within epsilon KL can fail to exhibit in-context learning, even with increasing prompt size.
- Models with identical test loss show widely varying zero-shot rule extrapolation, so loss alone does not determine OOD behaviour.
Limitations
- Empirical evidence is limited to a toy a^nb^n PCFG setting and small Transformers.
- Theoretical ICL result relies on prior assumptions from the mixture-of-HMMs framework and omitted assumptions from cited work.
- Research directions are largely open questions rather than validated methods.
Experimental setup
Datasets: a^nb^n probabilistic context-free grammar samples
Benchmarks: a^nb^n zero-shot rule extrapolation on OOD prompts of length 8
Metrics: proportion of rule R1-consistent completions test loss (KL divergence)
Builds on: PAC-Bayes Transformers in-context learning as implicit gradient descent Bayesian in-context learning with HMM mixtures (Xie et al.) grokking
Closest papers by meaning
- On the Identifiability of Hybrid Deep Generative Models: Meta-Learning as a Solution (NeurIPS 2024 · similarity 0.87)
- Identifiability of deep generative models without auxiliary information (NeurIPS 2022 · similarity 0.87)
- Position: Deep Learning is Not So Mysterious or Different (ICML 2025 · similarity 0.86)
- Interpretability Illusions in the Generalization of Simplified Models (ICML 2024 · similarity 0.85)
- Understanding Domain Generalization: A Noise Robustness Perspective (ICLR 2024 · similarity 0.85)
- Simplicity Bias in Overparameterized Machine Learning (AAAI 2024 · similarity 0.85)
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