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Estimating Information Flow in Deep Neural Networks

Ziv Goldfeld, Ewout van den Berg, Kristjan Greenewald, Igor Melnyk, Nam Nguyen, Brian Kingsbury, Yury Polyanskiy

arXiv:1810.05728v4cs.LGstat.ML

TL;DR

Deterministic DNN mutual information is theoretically vacuous, making reported compression difficult to interpret. The paper introduces noisy DNNs and a rigorous estimator, then shows that compression tracks progressive same-class clustering; prior binned estimates captured clustering rather than true mutual information.

  • Problem

    Reported compression from binned mutual information conflicts with deterministic DNN theory, where true mutual information is constant for discrete inputs or infinite for continuous inputs.

    Source: §1 · p. 1
  • Method

    The paper adds isotropic Gaussian noise to hidden layers, develops a rigorous mutual-information estimator, and interprets the result through AWGN communication and representation clustering.

    Source: §1 · p. 2, §3.2 · p. 4, §4 · p. 5
  • Results

    Experiments show compression in noisy networks is driven by progressive clustering, while prior deterministic-network binned estimates measured clustering rather than true mutual-information compression.

    Source: §5.3 · p. 8, §6 · p. 8
  • Takeaways & Limitations

    Geometric clustering of hidden representations is the paper’s central phenomenon of interest, rather than compression of true mutual information in deterministic DNNs.

    Source: §1 · p. 3, §6 · p. 8

    The connection between representation clustering and generalization remains to be tested theoretically and experimentally in future work.

    Source: §1 · p. 3

Abstract

from arXiv · show

We study the flow of information and the evolution of internal representations during deep neural network (DNN) training, aiming to demystify the compression aspect of the information bottleneck theory. The theory suggests that DNN training comprises a rapid fitting phase followed by a slower compression phase, in which the mutual information $I(X;T)$ between the input $X$ and internal representations $T$ decreases. Several papers observe compression of estimated mutual information on different DNN models, but the true $I(X;T)$ over these networks is provably either constant (discrete $X$) or infinite (continuous $X$). This work explains the discrepancy between theory and experiments, and clarifies what was actually measured by these past works. To this end, we introduce an auxiliary (noisy) DNN framework for which $I(X;T)$ is a meaningful quantity that depends on the network's parameters. This noisy framework is shown to be a good proxy for the original (deterministic) DNN both in terms of performance and the learned representations. We then develop a rigorous estimator for $I(X;T)$ in noisy DNNs and observe compression in various models. By relating $I(X;T)$ in the noisy DNN to an information-theoretic communication problem, we show that compression is driven by the progressive clustering of hidden representations of inputs from the same class. Several methods to directly monitor clustering of hidden representations, both in noisy and deterministic DNNs, are used to show that meaningful clusters form in the $T$ space. Finally, we return to the estimator of $I(X;T)$ employed in past works, and demonstrate that while it fails to capture the true (vacuous) mutual information, it does serve as a measure for clustering. This clarifies the past observations of compression and isolates the geometric clustering of hidden representations as the true phenomenon of interest.

1. Introduction

Prior work interpreted decreasing binned mutual information as compression, but deterministic DNNs have true mutual information that is constant or infinite. This paper introduces noisy DNNs and shows that the observed phenomenon is instead representation clustering.

Problem

  • Binning is computationally attractive but coarse bins can produce inaccurate estimates, including apparent long-term decreases in I(X;Tℓ).As bin sizes shrink, the binned proxy approaches the true value by definition.Source: §1 · p. 1
  • For deterministic DNNs with strictly monotone nonlinearities, true I(X;Tℓ) is infinite for continuous X or constant for discrete X, so observed fluctuations cannot reflect true compression.For discrete inputs, the mutual information equals H(X) under the stated injectivity condition.Source: §1 · pp. 1–2

Framework

  • The proposed framework adds i.i.d. Gaussian noise to hidden-layer outputs, making X→Tℓ stochastic, isotropic, and compatible with meaningful parameter-dependent mutual information.The noisy networks preserve performance and learned representations when the noise variance is not too large.Source: §1 · p. 2

Mechanism

  • A rigorous estimator tracks I(X;Tℓ) in noisy DNNs, while an AWGN-channel interpretation relates decreasing information to same-class representations becoming increasingly clustered and indistinguishable.Clusters also tighten in deeper layers, according to the supplied introduction passage.Source: §1 · p. 2

Findings

  • Experiments show noisy-network compression, clustering in noisy and deterministic networks, and that prior binned-information experiments measured clustering rather than true mutual-information compression.The paper further reports that clustering is the central geometric phenomenon of interest.Source: §1 · pp. 2–3

2. Preliminary Definitions

A noisy DNN injects Gaussian perturbations into hidden-layer outputs, creating a stochastic Markov mapping from inputs to representations. The resulting mutual information is generally analytically intractable, so it is estimated from samples while validating that small noise preserves practical representations and performance.

Noisy DNN model

  • Each hidden layer is modeled as Tℓ=fℓ(Tℓ−1)+Zℓ with Gaussian noise, while the final layer remains deterministic.The functions fℓ can represent fully connected, convolutional, max-pooling, and other layer types.Source: §2 · p. 3

Empirical validation

  • On MNIST CNNs, internal noise with β≤0.1 minimally affects classification performance, while noisy and dropout models learn representations similar to the deterministic model.Increasing β reduces similarity, and similarity is lower in deeper internal layers.Source: §2 · p. 3

Mutual information

  • The noisy network induces a joint distribution in which X−T1−…−TL forms a Markov chain, enabling mutual information analysis at each hidden layer.The mutual information is defined from the representation entropy and conditional entropy.Source: §2 · p. 3
  • Because composed Gaussian noises and nonlinearities make the stochastic map analytically complicated, I(X;Tℓ) is estimated from samples.The estimator operates on the induced conditional and marginal distributions of noisy representations.Source: §2 · p. 3

3. Mutual Information Estimation

The paper develops a provably accurate estimator for mutual information in noisy DNNs by reducing entropy estimation to Gaussian-convolution problems, then provides computational and practical guarantees for using it.

3. Mutual Information Estimation

  • The sample-propagation estimator decomposes I(X; Tℓ) into unconditional and conditional differential-entropy estimates derived from noisy-network samples.Each entropy is approximated using a Gaussian mixture determined by sampled representations and the noise distribution.Source: §3 · p. 3, §3.1 · pp. 3–4

3.2. Theoretical Guarantees and Computation

  • The estimator reduces each entropy calculation to estimating h(pS ∗ ϕβ) from i.i.d. samples and known Gaussian noise, using Gaussian-convolution entropy theory.The resulting risk converges at the best possible parametric rate, though high-dimensional estimation can require exponentially many samples in the worst case.Source: §3.2 · p. 4
  • The estimator becomes easier to use as noise increases because Gaussian smoothing simplifies the distribution, while smaller noise requires more samples for accurate estimation.The practical choice of β balances classifier performance, regularization, and estimator accuracy; theorem-sized sample requirements may be reduced after stability checks.Source: §3.2 · p. 4
  • Monte Carlo integration evaluates the Gaussian-mixture entropy numerically, with an unbiased proxy whose mean-squared error is O(...) and adds negligible estimation error.The paper presents this computation as an efficient way to evaluate mixtures without closed-form entropy expressions.Source: §3.2 · p. 4
  • Theorem 1 requires n = 4 · 10^9 samples, but good accuracy is achieved at n = 4 · 10^6, and adding more samples beyond this does not change the results.Source: §3.2 · p. 5

4. Compression and Clustering

The paper connects mutual-information compression in noisy networks to the progressive clustering of hidden representations. A scalar tanh example shows that compression occurs as Gaussian components representing same-class inputs merge.

4. Compression and Clustering

  • Mutual information measures how distinguishable noisy representation symbols are, so reducing spacing between constellation points reduces I(X; T).Under Gaussian noise, overlapping component distributions correspond roughly to fewer resolvable clusters.Source: §4 · p. 5
  • In the tanh example, same-class Gaussian components progressively re-converge, producing mutual-information dips as individual representations merge.The dips near k = 10^3 and k = 10^4 correspond to successive Gaussian mergers.Source: §4 · p. 5
  • For larger noise, Gaussian components can be indistinguishable throughout training, whereas smaller noise allows distinct components to merge in stages.The example therefore links the observed compression pattern to the interaction between representation spacing and noise level.Source: §4 · p. 5

5. Empirical Results

Experiments show that compression in noisy networks tracks clustering of hidden representations, while deterministic networks exhibit clustering even when true mutual information cannot compress. Across models, clustering measures clarify what earlier binned estimates captured.

5.1. Noisy SZT Model

  • Compression in noisy SZT networks is driven by clustering of representations, with same-class samples forming tighter groups during training.In the tanh SZT model, saturation pushes representations toward cube corners; linear networks can also compress through clustering and dimensional projection.Source: §5.1 · pp. 5–6, §5.3 · p. 8
  • Orthonormal-weight regularization achieved 98% test accuracy, while compression was completely gone, most neurons did not saturate, and no later-stage clustering was observed.Source: §5.1 · pp. 5–6

5.2. Deterministic MNIST CNN

  • In the deterministic MNIST CNN, whole-layer entropy remains approximately ln(10000) = 9.210 across layers and training epochs, while most layer-3 units undergo compression, with the least-negative mean slope −0.002 nats/epoch.After one epoch, fully connected layers 3 and 4 separate the distributions of within-class and between-class pairwise distances.Source: §5.2 · pp. 7–8

5.3. Summary of Experiments

  • Across experiments, binned entropy and mutual-information fluctuations track clustering rather than true mutual-information compression, which is impossible or vacuous in deterministic networks.The authors identify geometric clustering as the common phenomenon in noisy and deterministic networks, while binned measures remain useful for tracking clustering changes.Source: §5.1 · p. 7, §5.3 · p. 8

6. Conclusions and Future Work

The paper establishes clustering as the shared geometric phenomenon in noisy and deterministic networks, while mutual information is meaningful only when noise enables information loss.

  • The study identifies clustering of learned representations as the geometric phenomenon underlying apparent compression in deterministic networks.Source: §6 · p. 8
  • Binned mutual information in prior deterministic-network experiments measured increased clustering rather than true mutual-information compression.Source: §6 · p. 8
  • Mutual information tracks clustering in noisy networks but is meaningful only when the network includes a mechanism such as noise for shedding information.Source: §6 · p. 8
  • Although binning is not an accurate mutual-information estimator, it remains computationally simple and useful for tracking clustering changes.Source: §6 · p. 8

A. Two-Neuron Leaky-ReLU Network Example

A leaky-ReLU example shows that clustering and mutual-information evolution can be tracked together even with a non-saturating nonlinearity.

B.1. SZT Model

The supplementary experiments examine noisy-network clustering and compression, synthetic spiral data, MNIST CNN settings, and estimator guarantees.

B.1. SZT Model

  • Larger noise can preserve clustering and neuron saturation while making compression very mild, because within-cluster distinctions are blurred before clusters tighten.Source: §B.1 · p. 9
  • ReLU networks show almost no compression: unconstrained positive activations can spread without bound, while weight normalization bounds growth and reduces saturation.Source: §B.1 · p. 9, Figure 10 · p. 11

B.2. Spiral Model

  • Spiral experiments with β = 0.005 show a connection between mutual-information estimates, discrete entropy estimates, and clustering in normalized and unnormalized models.Source: §B.2 · p. 10
  • For deterministic spiral networks, the estimated entropy depends on bin size and reveals a particular clustering granularity rather than directly estimating mutual information.Source: §B.2 · p. 10

B.3. MNIST CNN

  • The MNIST CNN experiments use two convolutional layers, two fully connected layers, batch normalization, and standard training with augmentation.Source: §B.3 · p. 10, §15 · p. 10

13. Tanh() activation function

  • The cited architecture uses 2-D convolutional layers with 1-to-16 and 16-to-32 channels, 5x5 kernels, two-pixel padding, and either Tanh activations or dropout at probability 0.2.Source: §B.3 · p. 10

15. Fully connected layer with 128 inputs and 10 outputs

  • At test time, noisy and dropout models are made deterministic by replacing noise and dropout blocks with identities, defining the reported layer outputs.Source: §15 · p. 12

C.1. Preliminary Definitions

  • The estimator framework treats Gaussian-convolved hidden-layer distributions as continuous and defines minimax entropy-estimation risk over distribution classes.Source: §C.1 · p. 12

C.2. Sample Complexity is Exponential in Dimension

The estimator’s sample complexity becomes difficult in high dimensions and is also constrained when the noise parameter is small.

  • Sample complexity for accurately estimating h(P ∗ ϕβ) is exponential in dimension d.Source: §C.2 · p. 12
  • For fixed β > 0, the lower bound applies when dimension is sufficiently large and the target error is sufficiently small.Source: §C.2 · p. 12
  • For every fixed dimension, sufficiently small β also yields a sample-complexity lower bound.Source: §C.2 · p. 13
  • Larger β values are favorable for estimation, whereas high dimension makes exponential sample complexity unavoidable.Source: §C.2 · p. 13

C.3. Estimation Risk Bounds

The section establishes risk guarantees for the sample-propagation mutual-information estimator and explains how noisy-network sampling enables those guarantees. The resulting bounds depend on hidden-layer dimension and noise, while avoiding dependence on the input dimension.

  • The convergence rate cannot improve beyond the parametric rate, and its exponential dependence on dimension is necessary.The stated lower bounds rule out faster dependence on sample size or dimension under the considered setup.Source: §C.3 · p. 14
  • Sampling from the noisy DNN produces unconditional and conditional samples used to estimate the entropies defining mutual information.Unconditional samples are generated by propagating each input once, whereas conditional samples reuse each input across independent noise realizations.Source: §C.3 · pp. 14–15
  • The estimator’s expected absolute error converges at the parametric estimation rate for any hidden-layer dimension.The guarantee follows by combining differential-entropy estimation bounds with the sample-propagation mutual-information estimator.Source: §C.3 · pp. 14–15
  • Larger noise makes estimation easier because 1/β^2 is the signal-to-noise ratio between the signal and injected noise.The estimator is valid for layers ℓ≥2; for the first layer, the conditional entropy is replaced by the known entropy of the additive Gaussian noise.Source: §C.3 · p. 15
  • The absolute-risk bound depends on the representation dimension rather than the ambient input dimension because additive noise acts in the representation domain.Noise smooths the conditional distributions, uniformly controls conditional-entropy variance, and leaves the input contribution as an empirical average with rate 1/√n.Source: §C.3 · p. 15

C.4. Sample Propagation Estimator Bias

This section bounds finite-sample bias, gives a practical Monte Carlo computation method, and supplies proof constructions connecting estimator behavior to noisy communication.

C.4. Sample Propagation Estimator Bias

  • The bias analysis is minimax: stable repeated estimates do not establish proximity to the true entropy because empirical variance does not test bias.Theorem 5 gives a lower bound showing that bias cannot fall below a prescribed δ while n remains below the stated dimension-dependent threshold.Source: §C.4 · p. 15
  • For typical β≈0.1, the bias lower bound is at most 0.0057 through d=10^4, but negligible bias requires n at least 20.99^d.With ϵ=0.01, the relevant parameter k⋆ is 3 for d≤11 and 2 for 12≤d≤10^4.Source: §C.4 · pp. 15–16

C.5. Computing the Sample Propagation Estimator

  • The Gaussian-mixture entropy needed by the estimator is computed approximately with Monte Carlo integration, under bounded-support or bounded-second-moment assumptions.The method estimates each mixture summand and then averages the resulting log-density terms.Source: §C.5 · p. 16
  • The Monte Carlo estimator is unbiased, and its mean-squared-error bounds scale linearly with dimension, with β^2 often dominating experimentally.The bounds are stated for tanh and ReLU networks; the setup assumes finite second moments when support is not bounded.Source: §C.5 · p. 16

D.1. Proof of Theorem 4

  • Theorem 4’s proof controls the mutual-information estimation error by bounding conditional entropies uniformly and treating the remaining term as an empirical average.The argument uses independence of injected noise, conditioning-based entropy inequalities, and bounded-support moment control.Source: §D.1 · pp. 16–17

D.2. Proof of Theorem 5

  • Theorem 5 rewrites the estimator’s entropy gap as mutual information between propagated samples and a randomly selected noisy sample, then lower-bounds it using a decoding construction.The construction partitions a hypercube into cells, uses maximum-likelihood decoding, and controls the error with Fano’s inequality.Source: §D.2 · pp. 17–18

D.3. Proof of Theorem 6

The proof establishes Monte Carlo mean-squared-error bounds for evaluating Gaussian-mixture entropy under two moment conditions. It uses unbiasedness and Gaussian Poincaré variance control.

D.3. Proof of Theorem 6

  • The Gaussian-mixture entropy estimator is unbiased, so its MSE reduces to controlling the variance of log g(µ_i+Z).The variance is bounded using the Poincaré inequality for N(0,β^2I_d).Source: §D.3 · p. 18

D.3.1. MSE BOUND FOR BOUNDED SUPPORT √

  • Under bounded support, the proof applies a bounded-support inequality and Poincaré control to derive the first MSE bound.The derivation combines the variance estimate with the MSE expansion.Source: §D.3.1 · p. 19

D.3.2. MSE BOUND FOR BOUNDED SECOND MOMENT

  • Under a bounded second moment, the proof uses a moment inequality and Poincaré control to derive the second MSE bound.The final step substitutes the variance bound into the MSE expression.Source: §D.3.2 · p. 19
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