The double descent risk curve was proposed to qualitatively describe the out-of-sample prediction accuracy of variably-parameterized machine learning models. This article provides a precise mathematical analysis for the shape of this curve in two simple data models with the least squares/least norm predictor. Specifically, it is shown that the risk peaks when the number of features $p$ is close to the sample size $n$, but also that the risk decreases towards its minimum as $p$ increases beyond $n$. This behavior is contrasted with that of prescient models that select features in an a priori optimal order.
In solving a system of $n$ linear equations in $d$ variables $Ax=b$, the condition number of the $n,d$ matrix $A$ measures how much errors in the data $b$ affect the solution $x$. Estimates of this type are important in many inverse problems. An example is machine learning where the key task is to estimate an underlying function from a set of measurements at random points in a high dimensional space and where low sensitivity to error in the data is a requirement for good predictive performance. Here we discuss the simple observation, which is known but surprisingly little quoted (see Theorem 4.2 in cite{Brgisser:2013:CGN:2526261}): when the columns of $A$ are random vectors, the condition number of $A$ is highest if $d=n$, that is when the inverse of $A$ exists. An overdetermined system ($n>d$) as well as an underdetermined system ($n<d$), for which the pseudoinverse must be used instead of the inverse, typically have significantly better, that is lower, condition numbers. Thus the condition number of $A$ plotted as function of $d$ shows a double descent behavior with a peak at $d=n$.
We show that a variety of modern deep learning tasks exhibit a double-descent phenomenon where, as we increase model size, performance first gets worse and then gets better. Moreover, we show that double descent occurs not just as a function of model size, but also as a function of the number of training epochs. We unify the above phenomena by defining a new complexity measure we call the effective model complexity and conjecture a generalized double descent with respect to this measure. Furthermore, our notion of model complexity allows us to identify certain regimes where increasing (even quadrupling) the number of train samples actually hurts test performance.
Deep networks are typically trained with many more parameters than the size of the training dataset. Recent empirical evidence indicates that the practice of overparameterization not only benefits training large models, but also assists - perhaps counterintuitively - building lightweight models. Specifically, it suggests that overparameterization benefits model pruning / sparsification. This paper sheds light on these empirical findings by theoretically characterizing the high-dimensional asymptotics of model pruning in the overparameterized regime. The theory presented addresses the following core question: should one train a small model from the beginning, or first train a large model and then prune?. We analytically identify regimes in which, even if the location of the most informative features is known, we are better off fitting a large model and then pruning rather than simply training with the known informative features. This leads to a new double descent in the training of sparse models: growing the original model, while preserving the target sparsity, improves the test accuracy as one moves beyond the overparameterization threshold. Our analysis further reveals the benefit of retraining by relating it to feature correlations. We find that the above phenomena are already present in linear and random-features models. Our technical approach advances the toolset of high-dimensional analysis and precisely characterizes the asymptotic distribution of over-parameterized least-squares. The intuition gained by analytically studying simpler models is numerically verified on neural networks.
We propose a neural hybrid model consisting of a linear model defined on a set of features computed by a deep, invertible transformation (i.e. a normalizing flow). An attractive property of our model is that both p(features), the density of the features, and p(targets | features), the predictive distribution, can be computed exactly in a single feed-forward pass. We show that our hybrid model, despite the invertibility constraints, achieves similar accuracy to purely predictive models. Moreover the generative component remains a good model of the input features despite the hybrid optimization objective. This offers additional capabilities such as detection of out-of-distribution inputs and enabling semi-supervised learning. The availability of the exact joint density p(targets, features) also allows us to compute many quantities readily, making our hybrid model a useful building block for downstream applications of probabilistic deep learning.
Non-convex optimization problems are challenging to solve; the success and computational expense of a gradient descent algorithm or variant depend heavily on the initialization strategy. Often, either random initialization is used or initialization rules are carefully designed by exploiting the nature of the problem class. As a simple alternative to hand-crafted initialization rules, we propose an approach for learning good initialization rules from previous solutions. We provide theoretical guarantees that establish conditions that are sufficient in all cases and also necessary in some under which our approach performs better than random initialization. We apply our methodology to various non-convex problems such as generating adversarial examples, generating post hoc explanations for black-box machine learning models, and allocating communication spectrum, and show consistent gains over other initialization techniques.