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We develop a mathematically rigorous framework for multilayer neural networks in the mean field regime. As the network's widths increase, the network's learning trajectory is shown to be well captured by a meaningful and dynamically nonlinear limit (the \textit{mean field} limit), which is characterized by a system of ODEs. Our framework applies to a broad range of network architectures, learning dynamics and network initializations. Central to the framework is the new idea of a \textit{neuronal embedding}, which comprises of a non-evolving probability space that allows to embed neural networks of arbitrary widths. Using our framework, we prove several properties of large-width multilayer neural networks. Firstly we show that independent and identically distributed initializations cause strong degeneracy effects on the network's learning trajectory when the network's depth is at least four. Secondly we obtain several global convergence guarantees for feedforward multilayer networks under a number of different setups. These include two-layer and three-layer networks with independent and identically distributed initializations, and multilayer networks of arbitrary depths with a special type of correlated initializations that is motivated by the new concept of \textit{bidirectional diversity}. Unlike previous works that rely on convexity, our results admit non-convex losses and hinge on a certain universal approximation property, which is a distinctive feature of infinite-width neural networks and is shown to hold throughout the training process. Aside from being the first known results for global convergence of multilayer networks in the mean field regime, they demonstrate flexibility of our framework and incorporate several new ideas and insights that depart from the conventional convex optimization wisdom.

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In contrast to the natural capabilities of humans to learn new tasks in a sequential fashion, neural networks are known to suffer from catastrophic forgetting, where the model's performances on old tasks drop dramatically after being optimized for a new task. Since then, the continual learning (CL) community has proposed several solutions aiming to equip the neural network with the ability to learn the current task (plasticity) while still achieving high accuracy on the previous tasks (stability). Despite remarkable improvements, the plasticity-stability trade-off is still far from being solved and its underlying mechanism is poorly understood. In this work, we propose Auxiliary Network Continual Learning (ANCL), a novel method that applies an additional auxiliary network which promotes plasticity to the continually learned model which mainly focuses on stability. More concretely, the proposed framework materializes in a regularizer that naturally interpolates between plasticity and stability, surpassing strong baselines on task incremental and class incremental scenarios. Through extensive analyses on ANCL solutions, we identify some essential principles beneath the stability-plasticity trade-off.

Average-K classification is an alternative to top-K classification in which the number of labels returned varies with the ambiguity of the input image but must average to K over all the samples. A simple method to solve this task is to threshold the softmax output of a model trained with the cross-entropy loss. This approach is theoretically proven to be asymptotically consistent, but it is not guaranteed to be optimal for a finite set of samples. In this paper, we propose a new loss function based on a multi-label classification head in addition to the classical softmax. This second head is trained using pseudo-labels generated by thresholding the softmax head while guaranteeing that K classes are returned on average. We show that this approach allows the model to better capture ambiguities between classes and, as a result, to return more consistent sets of possible classes. Experiments on two datasets from the literature demonstrate that our approach outperforms the softmax baseline, as well as several other loss functions more generally designed for weakly supervised multi-label classification. The gains are larger the higher the uncertainty, especially for classes with few samples.

In supervised learning, the regularization path is sometimes used as a convenient theoretical proxy for the optimization path of gradient descent initialized with zero. In this paper, we study a modification of the regularization path for infinite-width 2-layer ReLU neural networks with non-zero initial distribution of the weights at different scales. By exploiting a link with unbalanced optimal transport theory, we show that, despite the non-convexity of the 2-layer network training, this problem admits an infinite dimensional convex counterpart. We formulate the corresponding functional optimization problem and investigate its main properties. In particular, we show that as the scale of the initialization ranges between $0$ and $+\infty$, the associated path interpolates continuously between the so-called kernel and rich regimes. The numerical experiments confirm that, in our setting, the scaling path and the final states of the optimization path behave similarly even beyond these extreme points.

Graph neural networks (GNNs) is widely used to learn a powerful representation of graph-structured data. Recent work demonstrates that transferring knowledge from self-supervised tasks to downstream tasks could further improve graph representation. However, there is an inherent gap between self-supervised tasks and downstream tasks in terms of optimization objective and training data. Conventional pre-training methods may be not effective enough on knowledge transfer since they do not make any adaptation for downstream tasks. To solve such problems, we propose a new transfer learning paradigm on GNNs which could effectively leverage self-supervised tasks as auxiliary tasks to help the target task. Our methods would adaptively select and combine different auxiliary tasks with the target task in the fine-tuning stage. We design an adaptive auxiliary loss weighting model to learn the weights of auxiliary tasks by quantifying the consistency between auxiliary tasks and the target task. In addition, we learn the weighting model through meta-learning. Our methods can be applied to various transfer learning approaches, it performs well not only in multi-task learning but also in pre-training and fine-tuning. Comprehensive experiments on multiple downstream tasks demonstrate that the proposed methods can effectively combine auxiliary tasks with the target task and significantly improve the performance compared to state-of-the-art methods.

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.

Graph Neural Networks (GNNs) have been studied from the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the gradient dynamics of GNNs. First, we analyze linearized GNNs and prove that despite the non-convexity of training, convergence to a global minimum at a linear rate is guaranteed under mild assumptions that we validate on real-world graphs. Second, we study what may affect the GNNs' training speed. Our results show that the training of GNNs is implicitly accelerated by skip connections, more depth, and/or a good label distribution. Empirical results confirm that our theoretical results for linearized GNNs align with the training behavior of nonlinear GNNs. Our results provide the first theoretical support for the success of GNNs with skip connections in terms of optimization, and suggest that deep GNNs with skip connections would be promising in practice.

Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of GNNs. Although most of GNNs basically follow a message passing manner, litter effort has been made to discover and analyze their essential relations. In this paper, we establish a surprising connection between different propagation mechanisms with a unified optimization problem, showing that despite the proliferation of various GNNs, in fact, their proposed propagation mechanisms are the optimal solution optimizing a feature fitting function over a wide class of graph kernels with a graph regularization term. Our proposed unified optimization framework, summarizing the commonalities between several of the most representative GNNs, not only provides a macroscopic view on surveying the relations between different GNNs, but also further opens up new opportunities for flexibly designing new GNNs. With the proposed framework, we discover that existing works usually utilize naive graph convolutional kernels for feature fitting function, and we further develop two novel objective functions considering adjustable graph kernels showing low-pass or high-pass filtering capabilities respectively. Moreover, we provide the convergence proofs and expressive power comparisons for the proposed models. Extensive experiments on benchmark datasets clearly show that the proposed GNNs not only outperform the state-of-the-art methods but also have good ability to alleviate over-smoothing, and further verify the feasibility for designing GNNs with our unified optimization framework.

This paper focuses on the expected difference in borrower's repayment when there is a change in the lender's credit decisions. Classical estimators overlook the confounding effects and hence the estimation error can be magnificent. As such, we propose another approach to construct the estimators such that the error can be greatly reduced. The proposed estimators are shown to be unbiased, consistent, and robust through a combination of theoretical analysis and numerical testing. Moreover, we compare the power of estimating the causal quantities between the classical estimators and the proposed estimators. The comparison is tested across a wide range of models, including linear regression models, tree-based models, and neural network-based models, under different simulated datasets that exhibit different levels of causality, different degrees of nonlinearity, and different distributional properties. Most importantly, we apply our approaches to a large observational dataset provided by a global technology firm that operates in both the e-commerce and the lending business. We find that the relative reduction of estimation error is strikingly substantial if the causal effects are accounted for correctly.

Current deep learning research is dominated by benchmark evaluation. A method is regarded as favorable if it empirically performs well on the dedicated test set. This mentality is seamlessly reflected in the resurfacing area of continual learning, where consecutively arriving sets of benchmark data are investigated. The core challenge is framed as protecting previously acquired representations from being catastrophically forgotten due to the iterative parameter updates. However, comparison of individual methods is nevertheless treated in isolation from real world application and typically judged by monitoring accumulated test set performance. The closed world assumption remains predominant. It is assumed that during deployment a model is guaranteed to encounter data that stems from the same distribution as used for training. This poses a massive challenge as neural networks are well known to provide overconfident false predictions on unknown instances and break down in the face of corrupted data. In this work we argue that notable lessons from open set recognition, the identification of statistically deviating data outside of the observed dataset, and the adjacent field of active learning, where data is incrementally queried such that the expected performance gain is maximized, are frequently overlooked in the deep learning era. Based on these forgotten lessons, we propose a consolidated view to bridge continual learning, active learning and open set recognition in deep neural networks. Our results show that this not only benefits each individual paradigm, but highlights the natural synergies in a common framework. We empirically demonstrate improvements when alleviating catastrophic forgetting, querying data in active learning, selecting task orders, while exhibiting robust open world application where previously proposed methods fail.

Humans and animals have the ability to continually acquire, fine-tune, and transfer knowledge and skills throughout their lifespan. This ability, referred to as lifelong learning, is mediated by a rich set of neurocognitive mechanisms that together contribute to the development and specialization of our sensorimotor skills as well as to long-term memory consolidation and retrieval. Consequently, lifelong learning capabilities are crucial for autonomous agents interacting in the real world and processing continuous streams of information. However, lifelong learning remains a long-standing challenge for machine learning and neural network models since the continual acquisition of incrementally available information from non-stationary data distributions generally leads to catastrophic forgetting or interference. This limitation represents a major drawback for state-of-the-art deep neural network models that typically learn representations from stationary batches of training data, thus without accounting for situations in which information becomes incrementally available over time. In this review, we critically summarize the main challenges linked to lifelong learning for artificial learning systems and compare existing neural network approaches that alleviate, to different extents, catastrophic forgetting. We discuss well-established and emerging research motivated by lifelong learning factors in biological systems such as structural plasticity, memory replay, curriculum and transfer learning, intrinsic motivation, and multisensory integration.

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