We initiate a study of supervised learning from many independent sequences ("trajectories") of non-independent covariates, reflecting tasks in sequence modeling, control, and reinforcement learning. Conceptually, our multi-trajectory setup sits between two traditional settings in statistical learning theory: learning from independent examples and learning from a single auto-correlated sequence. Our conditions for efficient learning generalize the former setting---trajectories must be non-degenerate in ways that extend standard requirements for independent examples. Notably, we do not require that trajectories be ergodic, long, nor strictly stable. For linear least-squares regression, given $n$-dimensional examples produced by $m$ trajectories, each of length $T$, we observe a notable change in statistical efficiency as the number of trajectories increases from a few (namely $m \lesssim n$) to many (namely $m \gtrsim n$). Specifically, we establish that the worst-case error rate of this problem is $\Theta(n / m T)$ whenever $m \gtrsim n$. Meanwhile, when $m \lesssim n$, we establish a (sharp) lower bound of $\Omega(n^2 / m^2 T)$ on the worst-case error rate, realized by a simple, marginally unstable linear dynamical system. A key upshot is that, in domains where trajectories regularly reset, the error rate eventually behaves as if all of the examples were independent, drawn from their marginals. As a corollary of our analysis, we also improve guarantees for the linear system identification problem.

Automatic differentiation (AD) is conventionally understood as a family of distinct algorithms, rooted in two “modes”—forward and reverse—which are typically presented (and implemented) separately. Can there be only one? Following up on the AD systems developed in the JAX and Dex projects, we formalize a decomposition of reverse-mode AD into (i) forward-mode AD followed by (ii) unzipping the linear and non-linear parts and then (iii) transposition of the linear part. To that end, we define a (substructurally) linear type system that can prove a class of functions are (algebraically) linear. Our main results are that forward-mode AD produces such linear functions, and that we can unzip and transpose any such linear function, conserving cost, size, and linearity. Composing these three transformations recovers reverse-mode AD. This decomposition also sheds light on checkpointing, which emerges naturally from a free choice in unzipping let expressions. As a corollary, checkpointing techniques are applicable to general-purpose partial evaluation, not just AD. We hope that our formalization will lead to a deeper understanding of automatic differentiation and that it will simplify implementations, by separating the concerns of differentiation proper from the concerns of gaining efficiency (namely, separating the derivative computation from the act of running it backward).

Automatic differentiation (autodiff) has revolutionized machine learning. Itallows to express complex computations by composing elementary ones in creativeways and removes the burden of computing their derivatives by hand. Morerecently, differentiation of optimization problem solutions has attractedwidespread attention with applications such as optimization layers, and inbi-level problems such as hyper-parameter optimization and meta-learning.However, so far, implicit differentiation remained difficult to use forpractitioners, as it often required case-by-case tedious mathematicalderivations and implementations. In this paper, we proposeautomatic implicit differentiation, an efficientand modular approach for implicit differentiation of optimization problems. Inour approach, the user defines directly in Python a function $F$ capturing theoptimality conditions of the problem to be differentiated. Once this is done, weleverage autodiff of $F$ and the implicit function theorem to automaticallydifferentiate the optimization problem. Our approach thus combines the benefitsof implicit differentiation and autodiff. It is efficient as it can be added ontop of any state-of-the-art solver and modular as the optimality conditionspecification is decoupled from the implicit differentiation mechanism. We showthat seemingly simple principles allow to recover many existing implicitdifferentiation methods and create new ones easily. We demonstrate the ease offormulating and solving bi-level optimization problems using our framework. Wealso showcase an application to the sensitivity analysis of molecular dynamics.

We ask how many measurements of the accuracy on a multiclass benchmark are needed to achieve a given amount of overfitting.

Excessive reuse of holdout data can lead to overfitting. However, there is little concrete evidence of significant overfitting due to holdout reuse in popular multiclass benchmarks today. Known results show that, in the worst-case, revealing the accuracy of $k$ adaptively chosen classifiers on a data set of size $n$ allows to create a classifier with bias of $\Theta(\sqrt{k/n})$ for any binary prediction problem. We show a new upper bound of $\tilde O(\max\{\sqrt{k\log(n)/(mn)}, k/n\})$ on the worst-case bias that any attack can achieve in a prediction problem with $m$ classes. Moreover, we present an efficient attack that achieve a bias of $\Omega(\sqrt{k/(m^2 n)})$ and improves on previous work for the binary setting ($m=2$). We also present an inefficient attack that achieves a bias of $\tilde\Omega(k/n)$. Complementing our theoretical work, we give new practical attacks to stress-test multiclass benchmarks by aiming to create as large a bias as possible with a given number of queries. Our experiments show that the additional uncertainty of prediction with a large number of classes indeed mitigates the effect of our best attacks.

Recent hardware developments have dramatically increased the scale of data parallelism available for neural network training. Among the simplest ways to harness next-generation hardware is to increase the batch size in standard mini-batch neural network training algorithms. In this work, we aim to experimentally characterize the effects of increasing the batch size on training time, as measured by the number of steps necessary to reach a goal out-of-sample error. We study how this relationship varies with the training algorithm, model, and data set, and find extremely large variation between workloads. Along the way, we show that disagreements in the literature on how batch size affects model quality can largely be explained by differences in metaparameter tuning and compute budgets at different batch sizes. We find no evidence that larger batch sizes degrade out-of-sample performance. Finally, we discuss the implications of our results on efforts to train neural networks much faster in the future. Our experimental data is publicly available as a database of 71,638,836 loss measurements taken over the course of training for 168,160 individual models across 35 workloads.

We show how to efficiently project a vector onto the top principal components of a matrix, *without explicitly computing these components*. Specifically, we introduce an iterative algorithm that provably computes the projection using few calls to any black-box routine for ridge regression. By avoiding explicit principal component analysis (PCA), our algorithm is the first with no runtime dependence on the number of top principal components. We show that it can be used to give a fast iterative method for the popular principal component regression problem, giving the first major runtime improvement over the naive method of combining PCA with regression. To achieve our results, we first observe that ridge regression can be used to obtain a "smooth projection" onto the top principal components. We then sharpen this approximation to true projection using a low-degree polynomial approximation to the matrix step function. Step function approximation is a topic of long-term interest in scientific computing. We extend prior theory by constructing polynomials with simple iterative structure and rigorously analyzing their behavior under limited precision.

In structured prediction problems where we have indirect supervision of the output, maximum marginal likelihood faces two computational obstacles: non-convexity of the objective and intractability of even a single gradient computation. In this paper, we bypass both obstacles for a class of what we call linear indirectly-supervised problems. Our approach is simple: we solve a linear system to estimate sufficient statistics of the model, which we then use to estimate parameters via convex optimization. We analyze the statistical properties of our approach and show empirically that it is effective in two settings: learning with local privacy constraints and learning from low-cost count-based annotations.

We develop a general duality between neural networks and compositional kernel Hilbert spaces. We introduce the notion of a computation skeleton, an acyclic graph that succinctly describes both a family of neural networks and a kernel space. Random neural networks are generated from a skeleton through node replication followed by sampling from a normal distribution to assign weights. The kernel space consists of functions that arise by compositions, averaging, and non-linear transformations governed by the skeleton's graph topology and activation functions. We prove that random networks induce representations which approximate the kernel space. In particular, it follows that random weight initialization often yields a favorable starting point for optimization despite the worst-case intractability of training neural networks.

In many estimation problems, e.g. linear and logistic regression, we wish to minimize an unknown objective given only unbiased samples of the objective function. Furthermore, we aim to achieve this using as few samples as possible. In the absence of computational constraints, the minimizer of a sample average of observed data – commonly referred to as either the empirical risk minimizer (ERM) or the M-estimator – is widely regarded as the estimation strategy of choice due to its desirable statistical convergence properties. Our goal in this work is to perform as well as the ERM, on \emphevery problem, while minimizing the use of computational resources such as running time and space usage. We provide a simple streaming algorithm which, under standard regularity assumptions on the underlying problem, enjoys the following properties: \beginenumerate \item The algorithm can be implemented in linear time with a single pass of the observed data, using space linear in the size of a single sample. \item The algorithm achieves the same statistical rate of convergence as the empirical risk minimizer on every problem, even considering constant factors. \item The algorithm’s performance depends on the initial error at a rate that decreases super-polynomially. \item The algorithm is easily parallelizable. \endenumerate Moreover, we quantify the (finite-sample) rate at which the algorithm becomes competitive with the ERM.

We develop a family of accelerated stochastic algorithms that optimize sums of convex functions. Our algorithms improve upon the fastest running time for empirical risk minimization (ERM), and in particular linear least-squares regression, across a wide range of problem settings. To achieve this, we establish a framework, based on the classical proximal point algorithm, useful for accelerating recent fast stochastic algorithms in a black-box fashion. Empirically, we demonstrate that the resulting algorithms exhibit notions of stability that are advantageous in practice. Both in theory and in practice, the provided algorithms reap the computational benefits of adding a large strongly convex regularization term, without incurring a corresponding bias to the original ERM problem.

In this paper, we train a semantic parser that scales up to Freebase.Instead of relying on annotated logical forms, which is especially expensive to obtain at large scale, we learn from question-answer pairs.The main challenge in this setting is narrowing down the huge number of possible logical predicates for a given question.We tackle this problem in two ways: First, we build a coarse mapping from phrases to predicates using a knowledge base and a large text corpus.Second, we use a bridging operation to generate additional predicates based on neighboring predicates.On the dataset of Cai and Yates (2013), despite not having annotated logical forms, our system outperforms their state-of-the-art parser.Additionally, we collected a more realistic and challenging dataset of question-answer pairs and improves over a natural baseline.