Enterprise AI Analysis
Does Flatness imply Generalization for Logistic Loss in Univariate Two-Layer ReLU Network?
This paper investigates the generalization capabilities of overparameterized two-layer ReLU neural networks when trained with logistic loss. Unlike square loss where flat solutions prevent overfitting, logistic loss presents a more complex scenario. We demonstrate that while arbitrarily flat yet overfitting solutions can exist at infinity, flat solutions within specific "uncertain regions" enjoy near-optimal generalization. Our findings highlight that flatness alone is insufficient for generalization in general but, under certain conditions related to low-confidence predictions and learning rate, it can indeed lead to robust models.
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Flatness Alone is Not Enough for Generalization
Our research shows a critical distinction for logistic loss: while flat solutions under square loss reliably prevent overfitting, the same is not universally true here. We construct examples (Theorem 3.1) of neural networks that are arbitrarily flat yet heavily overfit the training data, leading to poor generalization. This highlights that for logistic regression, flatness alone cannot guarantee robust models, especially when predictions become overconfident (approaching infinity for correct labels).
However, under specific conditions, flatness does imply generalization. Within 'uncertain regions' of the data where predictions are not extremely confident, flat solutions exhibit near-optimal generalization bounds. This nuanced relationship requires careful consideration of the loss landscape's geometry under logistic regression.
Gradient Descent's Implicit Bias for Stable Minima
Gradient Descent (GD) exhibits an 'implicit bias' towards solutions that are 'stable' under perturbations, often characterized by flatter curvature in the loss landscape. For logistic loss, GD's dynamics lead it to converge to solutions where the Hessian's largest eigenvalue is bounded (often near 2/η, the 'edge of stability').
This implicit bias, particularly with large learning rates, encourages the learning of smoother functions with lower total variation (TV(1) norm). This inherent tendency of GD helps mitigate overfitting by guiding the model towards more regularized and generalizable function spaces, even without explicit regularization terms like weight decay.
Empirical Validation of Theoretical Predictions
Our extensive numerical experiments confirm the theoretical predictions. We observe that GD with large learning rates consistently converges to flatter minima, which in turn correspond to simpler and smoother functions (lower TV(1) norm). These smoother functions demonstrate better generalization performance.
Conversely, smaller learning rates often lead to solutions that fit the training data very closely (low training loss) but tend to overfit, resulting in higher excess risk and error on unseen data. This phenomenon, characteristic of the classical U-shape in generalization curves, underscores the delicate balance between optimization and generalization in logistic regression for overparameterized models.
Advanced Theoretical Framework
Our analysis builds upon advanced concepts including weighted total variation (TV(1)) bounds and metric entropy of function classes. We introduce novel 'uncertain regions' which are critical for deriving generalization guarantees under logistic loss, especially given the behavior of interpolating solutions at infinity.
By connecting the flatness of the Hessian matrix in parameter space to the smoothness of the learned function in function space (via weighted TV(1) norms), we provide a robust framework for understanding generalization. This approach allows us to exclude pathological overfitting solutions and achieve near-optimal excess risk rates for functions with bounded variation characteristics within these defined regions.
Impact of Learning Rate on Model Regularity
| Feature | Logistic Loss | Squared Loss (Previous Work) |
|---|---|---|
| Interpolating Solutions | Can be arbitrarily flat and overconfident | Must be sharp |
| Flatness-Generalization Link | More delicate; needs "uncertain regions" and low-confidence predictions | Provably prevents overfitting |
| Edge of Stability | Observed, but max_lambda -> 0 with overfitting (Fig. 15) or around 2/η | max_lambda generally stabilizes ~ 2/η and implies generalization |
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