Berfin Simsek

Berfin Simsek, Melissa Hall, Levent Sagun

Existing works show that although modern neural networks achieve remarkable generalization performance on the in-distribution (ID) dataset, the accuracy drops significantly on the out-of-distribution (OOD) datasets \cite{recht2018cifar, recht2019imagenet}. To understand why a variety of models consistently make more mistakes in the OOD datasets, we propose a new metric to quantify the difficulty of the test images (either ID or OOD) that depends on the interaction of the training dataset and the model. In particular, we introduce \textit{confusion score} as a label-free measure of image difficulty which quantifies the amount of disagreement on a given test image based on the class conditional probabilities estimated by an ensemble of trained models. Using the confusion score, we investigate CIFAR-10 and its OOD derivatives. Next, by partitioning test and OOD datasets via their confusion scores, we predict the relationship between ID and OOD accuracies for various architectures. This allows us to obtain an estimator of the OOD accuracy of a given model only using ID test labels. Our observations indicate that the biggest contribution to the accuracy drop comes from images with high confusion scores. Upon further inspection, we report on the nature of the misclassified images grouped by their confusion scores: \textit{(i)} images with high confusion scores contain \textit{weak spurious correlations} that appear in multiple classes in the training data and lack clear \textit{class-specific features}, and \textit{(ii)} images with low confusion scores exhibit spurious correlations that belong to another class, namely \textit{class-specific spurious correlations}.

Vivien Cabannes, Berfin Simsek, Alberto Bietti

This work focuses on the training dynamics of one associative memory module storing outer products of token embeddings. We reduce this problem to the study of a system of particles, which interact according to properties of the data distribution and correlations between embeddings. Through theory and experiments, we provide several insights. In overparameterized regimes, we obtain logarithmic growth of the ``classification margins.'' Yet, we show that imbalance in token frequencies and memory interferences due to correlated embeddings lead to oscillatory transitory regimes. The oscillations are more pronounced with large step sizes, which can create benign loss spikes, although these learning rates speed up the dynamics and accelerate the asymptotic convergence. In underparameterized regimes, we illustrate how the cross-entropy loss can lead to suboptimal memorization schemes. Finally, we assess the validity of our findings on small Transformer models.

Frank Zhengqing Wu, Berfin Simsek, Francois Gaston Ged

In this paper, we study the loss landscape of one-hidden-layer neural networks with ReLU-like activation functions trained with the empirical squared loss using gradient descent (GD). We identify the stationary points of such networks, which significantly slow down loss decrease during training. To capture such points while accounting for the non-differentiability of the loss, the stationary points that we study are directional stationary points, rather than other notions like Clarke stationary points. We show that, if a stationary point does not contain "escape neurons", which are defined with first-order conditions, it must be a local minimum. Moreover, for the scalar-output case, the presence of an escape neuron guarantees that the stationary point is not a local minimum. Our results refine the description of the saddle-to-saddle training process starting from infinitesimally small (vanishing) initialization for shallow ReLU-like networks: By precluding the saddle escape types that previous works did not rule out, we advance one step closer to a complete picture of the entire dynamics. Moreover, we are also able to fully discuss how network embedding, which is to instantiate a narrower network with a wider network, reshapes the stationary points.

Johanni Brea, Berfin Simsek, Bernd Illing et al.

The permutation symmetry of neurons in each layer of a deep neural network gives rise not only to multiple equivalent global minima of the loss function, but also to first-order saddle points located on the path between the global minima. In a network of $d-1$ hidden layers with $n_k$ neurons in layers $k = 1, \ldots, d$, we construct smooth paths between equivalent global minima that lead through a `permutation point' where the input and output weight vectors of two neurons in the same hidden layer $k$ collide and interchange. We show that such permutation points are critical points with at least $n_{k+1}$ vanishing eigenvalues of the Hessian matrix of second derivatives indicating a local plateau of the loss function. We find that a permutation point for the exchange of neurons $i$ and $j$ transits into a flat valley (or generally, an extended plateau of $n_{k+1}$ flat dimensions) that enables all $n_k!$ permutations of neurons in a given layer $k$ at the same loss value. Moreover, we introduce high-order permutation points by exploiting the recursive structure in neural network functions, and find that the number of $K^{\text{th}}$-order permutation points is at least by a factor $\sum_{k=1}^{d-1}\frac{1}{2!^K}{n_k-K \choose K}$ larger than the (already huge) number of equivalent global minima. In two tasks, we illustrate numerically that some of the permutation points correspond to first-order saddles (`permutation saddles'): first, in a toy network with a single hidden layer on a function approximation task and, second, in a multilayer network on the MNIST task. Our geometric approach yields a lower bound on the number of critical points generated by weight-space symmetries and provides a simple intuitive link between previous mathematical results and numerical observations.