Using Multiple Vector Channels Improves E(n)-Equivariant Graph Neural Networks

We present a natural extension to E(n)-equivariant graph neural networks that uses multiple equivariant vectors per node. We formulate the extension and show that it improves performance across different physical systems benchmark tasks, with minimal differences in runtime or number of parameters. The proposed multichannel EGNN outperforms the standard singlechannel EGNN on N-body charged particle dynamics, molecular property predictions, and predicting the trajectories of solar system bodies. Given the additional benefits and minimal additional cost of multi-channel EGNN, we suggest that this extension may be of practical use to researchers working in machine learning for the physical sciences

Beyond the Imitation Game: Quantifying and extrapolating the capabilities of language models

Language models demonstrate both quantitative improvement and new qualitative capabilities with increasing scale. Despite their potentially transformative impact, these new capabilities are as yet poorly characterized. In order to inform future research, prepare for disruptive new model capabilities, and ameliorate socially harmful effects, it is vital that we understand the present and near-future capabilities and limitations of language models. To address this challenge, we introduce the Beyond the Imitation Game benchmark (BIG-bench). BIG-bench currently consists of 204 tasks, contributed by 442 authors across 132 institutions. Task topics are diverse, drawing problems from linguistics, childhood development, math, common-sense reasoning, biology, physics, social bias, software development, and beyond. BIG-bench focuses on tasks that are believed to be beyond the capabilities of current language models. We evaluate the behavior of OpenAI's GPT models, Google-internal dense transformer architectures, and Switch-style sparse transformers on BIG-bench, across model sizes spanning millions to hundreds of billions of parameters. In addition, a team of human expert raters performed all tasks in order to provide a strong baseline. Findings include: model performance and calibration both improve with scale, but are poor in absolute terms (and when compared with rater performance); performance is remarkably similar across model classes, though with benefits from sparsity; tasks that improve gradually and predictably commonly involve a large knowledge or memorization component, whereas tasks that exhibit "breakthrough" behavior at a critical scale often involve multiple steps or components, or brittle metrics; social bias typically increases with scale in settings with ambiguous context, but this can be improved with prompting.

Distributionally Robust Multilingual Machine Translation

Multilingual neural machine translation (MNMT) learns to translate multiple language pairs with a single model, potentially improving both the accuracy and the memory-efficiency of deployed models. However, the heavy data imbalance between languages hinders the model from performing uniformly across language pairs. In this paper, we propose a new learning objective for MNMT based on distributionally robust optimization, which minimizes the worst-case expected loss over the set of language pairs. We further show how to practically optimize this objective for large translation corpora using an iterated best response scheme, which is both effective and incurs negligible additional computational cost compared to standard empirical risk minimization. We perform extensive experiments on three sets of languages from two datasets and show that our method consistently outperforms strong baseline methods in terms of average and per-language performance under both many-to-one and one-to-many translation settings.

Adapting to Function Difficulty and Growth Conditions in Private Optimization

We develop algorithms for private stochastic convex optimization that adapt to the hardness of the specific function we wish to optimize. While previous work provide worst-case bounds for arbitrary convex functions, it is often the case that the function at hand belongs to a smaller class that enjoys faster rates. Concretely, we show that for functions exhibiting $\kappa$-growth around the optimum, i.e., $f(x) \ge f(x^*) + \lambda \kappa^{-1} \|x-x^*\|_2^\kappa$ for $\kappa > 1$, our algorithms improve upon the standard ${\sqrt{d}}/{n\varepsilon}$ privacy rate to the faster $({\sqrt{d}}/{n\varepsilon})^{\tfrac{\kappa}{\kappa - 1}}$. Crucially, they achieve these rates without knowledge of the growth constant $\kappa$ of the function. Our algorithms build upon the inverse sensitivity mechanism, which adapts to instance difficulty (Asi & Duchi, 2020), and recent localization techniques in private optimization (Feldman et al., 2020). We complement our algorithms with matching lower bounds for these function classes and demonstrate that our adaptive algorithm is \emph{simultaneously} (minimax) optimal over all $\kappa \ge 1+c$ whenever $c = \Theta(1)$.

Learning with User-Level Privacy

We propose and analyze algorithms to solve a range of learning tasks under user-level differential privacy constraints. Rather than guaranteeing only the privacy of individual samples, user-level DP protects a user's entire contribution ($m \ge 1$ samples), providing more stringent but more realistic protection against information leaks. We show that for high-dimensional mean estimation, empirical risk minimization with smooth losses, stochastic convex optimization, and learning hypothesis class with finite metric entropy, the privacy cost decreases as $O(1/\sqrt{m})$ as users provide more samples. In contrast, when increasing the number of users $n$, the privacy cost decreases at a faster $O(1/n)$ rate. We complement these results with lower bounds showing the worst-case optimality of our algorithm for mean estimation and stochastic convex optimization. Our algorithms rely on novel techniques for private mean estimation in arbitrary dimension with error scaling as the concentration radius $\tau$ of the distribution rather than the entire range. Under uniform convergence, we derive an algorithm that privately answers a sequence of $K$ adaptively chosen queries with privacy cost proportional to $\tau$, and apply it to solve the learning tasks we consider.

Large-Scale Methods for Distributionally Robust Optimization

We propose and analyze algorithms for distributionally robust optimization of convex losses with conditional value at risk (CVaR) and $\chi^2$ divergence uncertainty sets. We prove that our algorithms require a number of gradient evaluations independent of training set size and number of parameters, making them suitable for large-scale applications. For $\chi^2$ uncertainty sets these are the first such guarantees in the literature, and for CVaR our guarantees scale linearly in the uncertainty level rather than quadratically as in previous work. We also provide lower bounds proving the worst-case optimality of our algorithms for CVaR and a penalized version of the $\chi^2$ problem. Our primary technical contributions are novel bounds on the bias of batch robust risk estimation and the variance of a multilevel Monte Carlo gradient estimator due to [Blanchet & Glynn, 2015]. Experiments on MNIST and ImageNet confirm the theoretical scaling of our algorithms, which are 9--36 times more efficient than full-batch methods.

Necessary and Sufficient Geometries for Gradient Methods

We study the impact of the constraint set and gradient geometry on the convergence of online and stochastic methods for convex optimization, providing a characterization of the geometries for which stochastic gradient and adaptive gradient methods are (minimax) optimal. In particular, we show that when the constraint set is quadratically convex, diagonally pre-conditioned stochastic gradient methods are minimax optimal. We further provide a converse that shows that when the constraints are not quadratically convex---for example, any $\ell_p$-ball for $p < 2$---the methods are far from optimal. Based on this, we can provide concrete recommendations for when one should use adaptive, mirror or stochastic gradient methods.

Necessary and Sufficient Conditions for Adaptive, Mirror, and Standard Gradient Methods

We study the impact of the constraint set and gradient geometry on the convergence of online and stochastic methods for convex optimization, providing a characterization of the geometries for which stochastic gradient and adaptive gradient methods are (minimax) optimal. In particular, we show that when the constraint set is quadratically convex, diagonally pre-conditioned stochastic gradient methods are minimax optimal. We further provide a converse that shows that when the constraints are not quadratically convex---for example, any $\ell_p$-ball for $p < 2$---the methods are far from optimal. Based on this, we can provide concrete recommendations for when one should use adaptive, mirror or stochastic gradient methods.