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Statistical and structural identifiability in representation learning

Walter Nelson, Marco Fumero, Theofanis Karaletsos, Francesco Locatello

Abstract

Representation learning models exhibit a surprising stability in their internal representations. Whereas most prior work treats this stability as a single property, we formalize it as two distinct concepts: statistical identifiability (consistency of representations across runs) and structural identifiability (alignment of representations with some unobserved ground truth). Recognizing that perfect pointwise identifiability is generally unrealistic for modern representation learning models, we propose new model-agnostic definitions of statistical and structural near-identifiability of representations up to some error tolerance $ε$. Leveraging these definitions, we prove a statistical $ε$-near-identifiability result for the representations of models with nonlinear decoders, generalizing existing identifiability theory beyond last-layer representations in e.g. generative pre-trained transformers (GPTs) to near-identifiability of the intermediate representations of a broad class of models including (masked) autoencoders (MAEs) and supervised learners. Although these weaker assumptions confer weaker identifiability, we show that independent components analysis (ICA) can resolve much of the remaining linear ambiguity for this class of models, and validate and measure our near-identifiability claims empirically. With additional assumptions on the data-generating process, statistical identifiability extends to structural identifiability, yielding a simple and practical recipe for disentanglement: ICA post-processing of latent representations. On synthetic benchmarks, this approach achieves state-of-the-art disentanglement using a vanilla autoencoder. With a foundation model-scale MAE for cell microscopy, it disentangles biological variation from technical batch effects, substantially improving downstream generalization.

Statistical and structural identifiability in representation learning

Abstract

Representation learning models exhibit a surprising stability in their internal representations. Whereas most prior work treats this stability as a single property, we formalize it as two distinct concepts: statistical identifiability (consistency of representations across runs) and structural identifiability (alignment of representations with some unobserved ground truth). Recognizing that perfect pointwise identifiability is generally unrealistic for modern representation learning models, we propose new model-agnostic definitions of statistical and structural near-identifiability of representations up to some error tolerance . Leveraging these definitions, we prove a statistical -near-identifiability result for the representations of models with nonlinear decoders, generalizing existing identifiability theory beyond last-layer representations in e.g. generative pre-trained transformers (GPTs) to near-identifiability of the intermediate representations of a broad class of models including (masked) autoencoders (MAEs) and supervised learners. Although these weaker assumptions confer weaker identifiability, we show that independent components analysis (ICA) can resolve much of the remaining linear ambiguity for this class of models, and validate and measure our near-identifiability claims empirically. With additional assumptions on the data-generating process, statistical identifiability extends to structural identifiability, yielding a simple and practical recipe for disentanglement: ICA post-processing of latent representations. On synthetic benchmarks, this approach achieves state-of-the-art disentanglement using a vanilla autoencoder. With a foundation model-scale MAE for cell microscopy, it disentangles biological variation from technical batch effects, substantially improving downstream generalization.
Paper Structure (50 sections, 17 theorems, 33 equations, 6 figures, 7 tables)

This paper contains 50 sections, 17 theorems, 33 equations, 6 figures, 7 tables.

Key Result

Theorem 1

(Informal) Let $\mathbf{P}(x)$ be a data distribution, and let $\mathcal{M}$ be a model with a parameter space $\Theta$ and loss function $\mathcal{L}_\theta$. Let $F : \theta \mapsto f_\theta$, $G : \theta \mapsto g_\theta$ and $H : \theta \mapsto g_\theta \circ f_\theta$. Then, if $(\mathbf{P}, \T

Figures (6)

  • Figure 1: A simple isometric data-generating process.
  • Figure 2: Controlling the bi-Lipschitz constant $L$ leads to improved identifiability (reduced $\ell_2$ error).
  • Figure A.3: The distribution of sample-level bi-Lipschitz constant estimates $B(z)$ tightens around 1 as $\alpha \rightarrow 0$.
  • Figure A.4: Controlling the bi-Lipschitz constant $L$ leads to improved identifiability (reduced $\ell_2$ error). The proportionality does not appear to differ whether the max or mean bi-Lipschitz constant is estimated.
  • Figure A.5: Reconstruction error improves as the bi-Lipschitz constant grows (leak $\alpha \rightarrow 1$). Notably, poor reconstruction does not inhibit identifiability.
  • ...and 1 more figures

Theorems & Definitions (39)

  • Definition 1
  • Theorem 1
  • Theorem 2
  • Definition 2
  • Theorem 3
  • Definition A.3
  • Lemma A.1
  • proof
  • Lemma A.2
  • Definition A.4
  • ...and 29 more