Simplicity Bias of Transformers to Learn Low Sensitivity Functions

Transformers achieve state-of-the-art accuracy and robustness across many tasks, but an understanding of the inductive biases that they have and how those biases are different from other neural network architectures remains elusive. Various neural network architectures such as fully connected networks have been found to have a simplicity bias towards simple functions of the data; one version of this simplicity bias is a spectral bias to learn simple functions in the Fourier space. In this work, we identify the notion of sensitivity of the model to random changes in the input as a notion of simplicity bias which provides a unified metric to explain the simplicity and spectral bias of transformers across different data modalities. We show that transformers have lower sensitivity than alternative architectures, such as LSTMs, MLPs and CNNs, across both vision and language tasks. We also show that low-sensitivity bias correlates with improved robustness; furthermore, it can also be used as an efficient intervention to further improve the robustness of transformers.

Learnability is a Compact Property

Recent work on learning has yielded a striking result: the learnability of various problems can be undecidable, or independent of the standard ZFC axioms of set theory. Furthermore, the learnability of such problems can fail to be a property of finite character: informally, it cannot be detected by examining finite projections of the problem. On the other hand, learning theory abounds with notions of dimension that characterize learning and consider only finite restrictions of the problem, i.e., are properties of finite character. How can these results be reconciled? More precisely, which classes of learning problems are vulnerable to logical undecidability, and which are within the grasp of finite characterizations? We demonstrate that the difficulty of supervised learning with metric losses admits a tight finite characterization. In particular, we prove that the sample complexity of learning a hypothesis class can be detected by examining its finite projections. For realizable and agnostic learning with respect to a wide class of proper loss functions, we demonstrate an exact compactness result: a class is learnable with a given sample complexity precisely when the same is true of all its finite projections. For realizable learning with improper loss functions, we show that exact compactness of sample complexity can fail, and provide matching upper and lower bounds of a factor of 2 on the extent to which such sample complexities can differ. We conjecture that larger gaps are possible for the agnostic case. At the heart of our technical work is a compactness result concerning assignments of variables that maintain a class of functions below a target value, which generalizes Hall's classic matching theorem and may be of independent interest.

Stability and Multigroup Fairness in Ranking with Uncertain Predictions

Rankings are ubiquitous across many applications, from search engines to hiring committees. In practice, many rankings are derived from the output of predictors. However, when predictors trained for classification tasks have intrinsic uncertainty, it is not obvious how this uncertainty should be represented in the derived rankings. Our work considers ranking functions: maps from individual predictions for a classification task to distributions over rankings. We focus on two aspects of ranking functions: stability to perturbations in predictions and fairness towards both individuals and subgroups. Not only is stability an important requirement for its own sake, but -- as we show -- it composes harmoniously with individual fairness in the sense of Dwork et al. (2012). While deterministic ranking functions cannot be stable aside from trivial scenarios, we show that the recently proposed uncertainty aware (UA) ranking functions of Singh et al. (2021) are stable. Our main result is that UA rankings also achieve multigroup fairness through successful composition with multiaccurate or multicalibrated predictors. Our work demonstrates that UA rankings naturally interpolate between group and individual level fairness guarantees, while simultaneously satisfying stability guarantees important whenever machine-learned predictions are used.

Transformers Learn Higher-Order Optimization Methods for In-Context Learning: A Study with Linear Models

Transformers are remarkably good at in-context learning (ICL) -- learning from demonstrations without parameter updates -- but how they perform ICL remains a mystery. Recent work suggests that Transformers may learn in-context by internally running Gradient Descent, a first-order optimization method. In this paper, we instead demonstrate that Transformers learn to implement higher-order optimization methods to perform ICL. Focusing on in-context linear regression, we show that Transformers learn to implement an algorithm very similar to Iterative Newton's Method, a higher-order optimization method, rather than Gradient Descent. Empirically, we show that predictions from successive Transformer layers closely match different iterations of Newton's Method linearly, with each middle layer roughly computing 3 iterations. In contrast, exponentially more Gradient Descent steps are needed to match an additional Transformers layer; this suggests that Transformers have an comparable rate of convergence with high-order methods such as Iterative Newton, which are exponentially faster than Gradient Descent. We also show that Transformers can learn in-context on ill-conditioned data, a setting where Gradient Descent struggles but Iterative Newton succeeds. Finally, we show theoretical results which support our empirical findings and have a close correspondence with them: we prove that Transformers can implement $k$ iterations of Newton's method with $\mathcal{O}(k)$ layers.

Mitigating Simplicity Bias in Deep Learning for Improved OOD Generalization and Robustness

Neural networks (NNs) are known to exhibit simplicity bias where they tend to prefer learning 'simple' features over more 'complex' ones, even when the latter may be more informative. Simplicity bias can lead to the model making biased predictions which have poor out-of-distribution (OOD) generalization. To address this, we propose a framework that encourages the model to use a more diverse set of features to make predictions. We first train a simple model, and then regularize the conditional mutual information with respect to it to obtain the final model. We demonstrate the effectiveness of this framework in various problem settings and real-world applications, showing that it effectively addresses simplicity bias and leads to more features being used, enhances OOD generalization, and improves subgroup robustness and fairness. We complement these results with theoretical analyses of the effect of the regularization and its OOD generalization properties.

Regularization and Optimal Multiclass Learning

The quintessential learning algorithm of empirical risk minimization (ERM) is known to fail in various settings for which uniform convergence does not characterize learning. It is therefore unsurprising that the practice of machine learning is rife with considerably richer algorithmic techniques for successfully controlling model capacity. Nevertheless, no such technique or principle has broken away from the pack to characterize optimal learning in these more general settings. The purpose of this work is to characterize the role of regularization in perhaps the simplest setting for which ERM fails: multiclass learning with arbitrary label sets. Using one-inclusion graphs (OIGs), we exhibit optimal learning algorithms that dovetail with tried-and-true algorithmic principles: Occam's Razor as embodied by structural risk minimization (SRM), the principle of maximum entropy, and Bayesian reasoning. Most notably, we introduce an optimal learner which relaxes structural risk minimization on two dimensions: it allows the regularization function to be "local" to datapoints, and uses an unsupervised learning stage to learn this regularizer at the outset. We justify these relaxations by showing that they are necessary: removing either dimension fails to yield a near-optimal learner. We also extract from OIGs a combinatorial sequence we term the Hall complexity, which is the first to characterize a problem's transductive error rate exactly. Lastly, we introduce a generalization of OIGs and the transductive learning setting to the agnostic case, where we show that optimal orientations of Hamming graphs -- judged using nodes' outdegrees minus a system of node-dependent credits -- characterize optimal learners exactly. We demonstrate that an agnostic version of the Hall complexity again characterizes error rates exactly, and exhibit an optimal learner using maximum entropy programs.

Fairness in Matching under Uncertainty

The prevalence and importance of algorithmic two-sided marketplaces has drawn attention to the issue of fairness in such settings. Algorithmic decisions are used in assigning students to schools, users to advertisers, and applicants to job interviews. These decisions should heed the preferences of individuals, and simultaneously be fair with respect to their merits (synonymous with fit, future performance, or need). Merits conditioned on observable features are always uncertain, a fact that is exacerbated by the widespread use of machine learning algorithms to infer merit from the observables. As our key contribution, we carefully axiomatize a notion of individual fairness in the two-sided marketplace setting which respects the uncertainty in the merits; indeed, it simultaneously recognizes uncertainty as the primary potential cause of unfairness and an approach to address it. We design a linear programming framework to find fair utility-maximizing distributions over allocations, and we show that the linear program is robust to perturbations in the estimated parameters of the uncertain merit distributions, a key property in combining the approach with machine learning techniques.

Efficient Convex Optimization Requires Superlinear Memory

We show that any memory-constrained, first-order algorithm which minimizes $d$-dimensional, $1$-Lipschitz convex functions over the unit ball to $1/\mathrm{poly}(d)$ accuracy using at most $d^{1.25 - \delta}$ bits of memory must make at least $\tilde{\Omega}(d^{1 + (4/3)\delta})$ first-order queries (for any constant $\delta \in [0, 1/4]$). Consequently, the performance of such memory-constrained algorithms are a polynomial factor worse than the optimal $\tilde{O}(d)$ query bound for this problem obtained by cutting plane methods that use $\tilde{O}(d^2)$ memory. This resolves a COLT 2019 open problem of Woodworth and Srebro.

KL Divergence Estimation with Multi-group Attribution

Estimating the Kullback-Leibler (KL) divergence between two distributions given samples from them is well-studied in machine learning and information theory. Motivated by considerations of multi-group fairness, we seek KL divergence estimates that accurately reflect the contributions of sub-populations to the overall divergence. We model the sub-populations coming from a rich (possibly infinite) family $\mathcal{C}$ of overlapping subsets of the domain. We propose the notion of multi-group attribution for $\mathcal{C}$, which requires that the estimated divergence conditioned on every sub-population in $\mathcal{C}$ satisfies some natural accuracy and fairness desiderata, such as ensuring that sub-populations where the model predicts significant divergence do diverge significantly in the two distributions. Our main technical contribution is to show that multi-group attribution can be derived from the recently introduced notion of multi-calibration for importance weights [HKRR18, GRSW21]. We provide experimental evidence to support our theoretical results, and show that multi-group attribution provides better KL divergence estimates when conditioned on sub-populations than other popular algorithms.

On the Statistical Complexity of Sample Amplification

Given $n$ i.i.d. samples drawn from an unknown distribution $P$, when is it possible to produce a larger set of $n+m$ samples which cannot be distinguished from $n+m$ i.i.d. samples drawn from $P$? (Axelrod et al. 2019) formalized this question as the sample amplification problem, and gave optimal amplification procedures for discrete distributions and Gaussian location models. However, these procedures and associated lower bounds are tailored to the specific distribution classes, and a general statistical understanding of sample amplification is still largely missing. In this work, we place the sample amplification problem on a firm statistical foundation by deriving generally applicable amplification procedures, lower bound techniques and connections to existing statistical notions. Our techniques apply to a large class of distributions including the exponential family, and establish a rigorous connection between sample amplification and distribution learning.