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Register a new userTopological Uncertainty: Monitoring trained neural networks through persistence of activation graphs
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Although neural networks are capable of reaching astonishing performances on a wide variety of contexts, properly training networks on complicated tasks requires expertise and can be expensive from a computational perspective. In industrial applications, data coming from an open-world setting might widely differ from the benchmark datasets on which a network was trained. Being able to monitor the presence of such variations without retraining the network is of crucial importance. In this article, we develop a method to monitor trained neural networks based on the topological properties of their activation graphs. To each new observation, we assign a Topological Uncertainty, a score that aims to assess the reliability of the predictions by investigating the whole network instead of its final layer only, as typically done by practitioners. Our approach entirely works at a post-training level and does not require any assumption on the network architecture, optimization scheme, nor the use of data augmentation or auxiliary datasets; and can be faithfully applied on a large range of network architectures and data types. We showcase experimentally the potential of Topological Uncertainty in the context of trained network selection, Out-Of-Distribution detection, and shift-detection, both on synthetic and real datasets of images and graphs.
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We consider the teacher-student setting of learning shallow neural networks with quadratic activations and planted weight matrix $W^*inmathbb{R}^{mtimes d}$, where $m$ is the width of the hidden layer and $dle m$ is the data dimension. We study the optimization landscape associated with the empirical and the population squared risk of the problem. Under the assumption the planted weights are full-rank we obtain the following results. First, we establish that the landscape of the empirical risk admits an energy barrier separating rank-deficient $W$ from $W^*$: if $W$ is rank deficient, then its risk is bounded away from zero by an amount we quantify. We then couple this result by showing that, assuming number $N$ of samples grows at least like a polynomial function of $d$, all full-rank approximate stationary points of the empirical risk are nearly global optimum. These two results allow us to prove that gradient descent, when initialized below the energy barrier, approximately minimizes the empirical risk and recovers the planted weights in polynomial-time. Next, we show that initializing below this barrier is in fact easily achieved when the weights are randomly generated under relatively weak assumptions. We show that provided the network is sufficiently overparametrized, initializing with an appropriate multiple of the identity suffices to obtain a risk below the energy barrier. At a technical level, the last result is a consequence of the semicircle law for the Wishart ensemble and could be of independent interest. Finally, we study the minimizers of the empirical risk and identify a simple necessary and sufficient geometric condition on the training data under which any minimizer has necessarily zero generalization error. We show that as soon as $Nge N^*=d(d+1)/2$, randomly generated data enjoys this geometric condition almost surely, while that ceases to be true if $N<N^*$.
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