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Position: Understanding LLMs Requires More Than Statistical Generalization (2405.01964v3)

Published 3 May 2024 in stat.ML and cs.LG

Abstract: The last decade has seen blossoming research in deep learning theory attempting to answer, "Why does deep learning generalize?" A powerful shift in perspective precipitated this progress: the study of overparametrized models in the interpolation regime. In this paper, we argue that another perspective shift is due, since some of the desirable qualities of LLMs are not a consequence of good statistical generalization and require a separate theoretical explanation. Our core argument relies on the observation that AR probabilistic models are inherently non-identifiable: models zero or near-zero KL divergence apart -- thus, equivalent test loss -- can exhibit markedly different behaviors. We support our position with mathematical examples and empirical observations, illustrating why non-identifiability has practical relevance through three case studies: (1) the non-identifiability of zero-shot rule extrapolation; (2) the approximate non-identifiability of in-context learning; and (3) the non-identifiability of fine-tunability. We review promising research directions focusing on LLM-relevant generalization measures, transferability, and inductive biases.

Citations (6)

Summary

  • The paper demonstrates that non-identifiability in probabilistic models explains why LLMs can perform diversely despite identical training outcomes.
  • It analyzes case studies where similarly performing models exhibit varied behaviors in zero-shot rule extrapolation and fine-tuning scenarios.
  • The study introduces the saturation regime as a new paradigm, urging the development of advanced metrics and exploration of effective inductive biases.

Understanding LLMs Requires More Than Statistical Generalization

1. Background and Shift in Perspective

The prevailing paradigm in deep learning, known as statistical generalization, has long been the cornerstone for explaining how models, particularly those that are heavily parameterized, achieve strong performance on unseen data. Traditional generalization theories rely on the notion that if a model can minimize discrepancy (error) on training data, it should ideally perform well on test data believed to be drawn from the same distribution.

Yet, recent developments suggest that there's more to the story for LLMs. These models seem to defy the expected norms by excelling in tasks far afield from their training environments, a phenomenon not fully explainable by the conventional framework of statistical generalization alone.

2. Identifiability and Its Role in LLMs

Identifiability in probabilistic models is a concept that comes from statistical inference, aiming to determine whether unique solutions (models or parameters) can be defined from the data. For LLMs, identifiability—or more precisely, the lack of it—provides a richer explanation of their behavior beyond mere performance metrics.

Auto-regressive (AR) probabilistic models, a subset in which many LLMs operate, are notable for their inherent unidentifiability. This means that different models can yield virtually identical performance in terms of likelihood, but with potentially diverse behaviors. This insight is crucial as it suggests that two identically performing models under the training regime might diverge significantly when applied to real-world data or slightly altered tasks.

3. Case Studies Exploring Non-Identifiability

Case Study Highlights:

  • Non-Identifiability of Zero-Shot Rule Extrapolation: Even when two models achieve a perfect fit to the probabilistic rules in training data, they might exhibit divergent extrapolative behaviors when applied to scenarios outside their immediate training scope.
  • ε-Non-Identifiability and In-Context Learning (ICL): Here, models closely approximate each other with minimal Kullback-Leibler divergence yet demonstrate varying capabilities in adapting to new tasks based merely on subtle shifts in data distribution.
  • Parameter Non-Identifiability and Its Effect on Fine-Tuning: Two functionally similar models could respond differently to fine-tuning, attributable to underlying differences in their parameter configurations.

These case studies underscore that multiple ostensibly equivalent models (in terms of fitting the training loss landscape) can manifest diverse capabilities and weaknesses when confronted with novel data or tasks.

4. Towards a New Paradigm: The Saturation Regime

The notion of the saturation regime proposes a shift from the classical training paradigm. In this new viewpoint, what matters is not just how well a model interpolates or extrapolates within the seen data domain but how it behaves and generalizes across fundamentally different or unseen domains. This regime recognizes that achieving minimal loss on both training and test datasets is not enough to ensure versatility and robustness in practical applications.

5. Future Research Directions

Moving forward, research should focus on:

  • Developing New Generalization Measures: Current metrics may not capture the nuanced ways in which LLMs interact with or adapt to new information. Advanced measures that reflect these subtleties are needed.
  • Experimentation with Formal Languages: Using formal language structures to test hypotheses about LLM behavior could provide cleaner, more controlled insights into their generalization capabilities.
  • Exploring Inductive Biases: Understanding which inductive biases promote beneficial properties in LLMs can propel the development of models that are both powerful and predictable outside their immediate training environments.

Conclusion:

Evolving our theoretical framework to include concepts like non-identifiability and the saturation regime offers a promising path toward unraveling the complex behaviors of LLMs. This approach not only aligns more closely with empirical observations but also opens up new avenues for crafting models that genuinely understand and interact with the nuances of human language.

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