This paper considers the Pointer Value Retrieval (PVR) benchmark introduced in [ZRKB21], where a `reasoning' function acts on a string of digits to produce the label. More generally, the paper considers the learning of logical functions with gradient descent (GD) on neural networks. It is first shown that in order to learn logical functions with gradient descent on symmetric neural networks, the generalization error can be lower-bounded in terms of the noise-stability of the target function, supporting a conjecture made in [ZRKB21]. It is then shown that in the distribution shift setting, when the data withholding corresponds to freezing a single feature (referred to as canonical holdout), the generalization error of gradient descent admits a tight characterization in terms of the Boolean influence for several relevant architectures. This is shown on linear models and supported experimentally on other models such as MLPs and Transformers. In particular, this puts forward the hypothesis that for such architectures and for learning logical functions such as PVR functions, GD tends to have an implicit bias towards low-degree representations, which in turn gives the Boolean influence for the generalization error under quadratic loss.

Convolutional neural networks (CNNs) have so far been the de-facto model for visual data. Recent work has shown that (Vision) Transformer models (ViT) can achieve comparable or even superior performance on image classification tasks. This raises a central question: how are Vision Transformers solving these tasks? Are they acting like convolutional networks, or learning entirely different visual representations? Analyzing the internal representation structure of ViTs and CNNs on image classification benchmarks, we find striking differences between the two architectures, such as ViT having more uniform representations across all layers. We explore how these differences arise, finding crucial roles played by self-attention, which enables early aggregation of global information, and ViT residual connections, which strongly propagate features from lower to higher layers. We study the ramifications for spatial localization, demonstrating ViTs successfully preserve input spatial information, with noticeable effects from different classification methods. Finally, we study the effect of (pretraining) dataset scale on intermediate features and transfer learning, and conclude with a discussion on connections to new architectures such as the MLP-Mixer.

The issue of disagreements amongst human experts is a ubiquitous one in both machine learning and medicine. In medicine, this often corresponds to doctor disagreements on a patient diagnosis. In this work, we show that machine learning models can be successfully trained to give uncertainty scores to data instances that result in high expert disagreements. In particular, they can identify patient cases that would benefit most from a medical second opinion. Our central methodological finding is that Direct Uncertainty Prediction (DUP), training a model to predict an uncertainty score directly from the raw patient features, works better than Uncertainty Via Classification, the two step process of training a classifier and postprocessing the output distribution to give an uncertainty score. We show this both with a theoretical result, and on extensive evaluations on a large scale medical imaging application.

Transfer learning from natural image datasets, particularly ImageNet, using standard large models and corresponding pretrained weights has become a de-facto method for deep learning applications to medical imaging. However, there are fundamental differences in data sizes, features and task specifications between natural image classification and the target medical tasks, and there is little understanding of the effects of transfer. In this paper, we explore properties of transfer learning for medical imaging. A performance evaluation on two large scale medical imaging tasks shows that surprisingly, transfer offers little benefit to performance, and simple, lightweight models can perform comparably to ImageNet architectures. Investigating the learned representations and features, we find that some of the differences from transfer learning are due to the over-parametrization of standard models rather than sophisticated feature reuse. We isolate where useful feature reuse occurs, and outline the implications for more efficient model exploration. We also explore feature independent benefits of transfer arising from weight scalings.

Deep reinforcement learning has achieved many recent successes, but our understanding of its strengths and limitations is hampered by the lack of rich environments in which we can fully characterize optimal behavior, and correspondingly diagnose individual actions against such a characterization. Here we consider a family of combinatorial games, arising from work of Erdos, Selfridge, and Spencer, and we propose their use as environments for evaluating and comparing different approaches to reinforcement learning. These games have a number of appealing features: they are challenging for current learning approaches, but they form (i) a low-dimensional, simply parametrized environment where (ii) there is a linear closed form solution for optimal behavior from any state, and (iii) the difficulty of the game can be tuned by changing environment parameters in an interpretable way. We use these Erdos-Selfridge-Spencer games not only to compare different algorithms, but test for generalization, make comparisons to supervised learning, analyse multiagent play, and even develop a self play algorithm.

Comparing different neural network representations and determining how representations evolve over time remain challenging open questions in our understanding of the function of neural networks. Comparing representations in neural networks is fundamentally difficult as the structure of representations varies greatly, even across groups of networks trained on identical tasks, and over the course of training. Here, we develop projection weighted CCA (Canonical Correlation Analysis) as a tool for understanding neural networks, building off of SVCCA, a recently proposed method (Raghu et al, 2017). We first improve the core method, showing how to differentiate between signal and noise, and then apply this technique to compare across a group of CNNs, demonstrating that networks which generalize converge to more similar representations than networks which memorize, that wider networks converge to more similar solutions than narrow networks, and that trained networks with identical topology but different learning rates converge to distinct clusters with diverse representations. We also investigate the representational dynamics of RNNs, across both training and sequential timesteps, finding that RNNs converge in a bottom-up pattern over the course of training and that the hidden state is highly variable over the course of a sequence, even when accounting for linear transforms. Together, these results provide new insights into the function of CNNs and RNNs, and demonstrate the utility of using CCA to understand representations.

We propose a new approach to the problem of neural network expressivity, which seeks to characterize how structural properties of a neural network family affect the functions it is able to compute. Our approach is based on an interrelated set of measures of expressivity, unified by the novel notion of trajectory length, which measures how the output of a network changes as the input sweeps along a one-dimensional path. Our findings show that: (1) The complexity of the computed function grows exponentially with depth (2) All weights are not equal: trained networks are more sensitive to their lower (initial) layer weights (3) Trajectory regularization is a simpler alternative to batch normalization, with the same performance.

We propose a new technique, Singular Vector Canonical Correlation Analysis (SVCCA), a tool for quickly comparing two representations in a way that is both invariant to affine transform (allowing comparison between different layers and networks) and fast to compute (allowing more comparisons to be calculated than with previous methods). We deploy this tool to measure the intrinsic dimensionality of layers, showing in some cases needless over-parameterization; to probe learning dynamics throughout training, finding that networks converge to final representations from the bottom up; to show where class-specific information in networks is formed; and to suggest new training regimes that simultaneously save computation and overfit less.

We introduce LAMP: the Linear Additive Markov Process. Transitions in LAMP may be influenced by states visited in the distant history of the process, but unlike higher-order Markov processes, LAMP retains an efficient parameterization. LAMP also allows the specific dependence on history to be learned efficiently from data.

We combine Riemannian geometry with the mean field theory of high dimensional chaos to study the nature of signal propagation in deep neural networks with random weights. Our results reveal a phase transition in the expressivity of random deep networks, with networks in the chaotic phase computing nonlinear functions whose global curvature grows exponentially with depth, but not with width. We prove that this generic class of random functions cannot be efficiently computed by any shallow network, going beyond prior work that restricts their analysis to single functions. Moreover, we formally quantify and demonstrate the long conjectured idea that deep networks can disentangle exponentially curved manifolds in input space into flat manifolds in hidden space. Our theoretical framework for analyzing the expressive power of deep networks is broadly applicable and provides a basis for quantifying previously abstract notions about the geometry of deep functions.

Team performance is a ubiquitous area of inquiry in the social sciences, and it motivates the problem of team selection -- choosing the members of a team for maximum performance. Influential work of Hong and Page has argued that testing individuals in isolation and then assembling the highest-scoring ones into a team is not an effective method for team selection. For a broad class of performance measures, based on the expected maximum of random variables representing individual candidates, we show that tests directly measuring individual performance are indeed ineffective, but that a more subtle family of tests used in isolation can provide a constant-factor approximation for team performance. These new tests measure the "potential" of individuals, in a precise sense, rather than performance; to our knowledge they represent the first time that individual tests have been shown to produce near-optimal teams for a non-trivial team performance measure. We also show families of subdmodular and supermodular team performance functions for which no test applied to individuals can produce near-optimal teams, and discuss implications for submodular maximization via hill-climbing.