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Many of the successes of machine learning are based on minimizing an averaged loss function. However, it is well-known that this paradigm suffers from robustness issues that hinder its applicability in safety-critical domains. These issues are often addressed by training against worst-case perturbations of data, a technique known as adversarial training. Although empirically effective, adversarial training can be overly conservative, leading to unfavorable trade-offs between nominal performance and robustness. To this end, in this paper we propose a framework called probabilistic robustness that bridges the gap between the accurate, yet brittle average case and the robust, yet conservative worst case by enforcing robustness to most rather than to all perturbations. From a theoretical point of view, this framework overcomes the trade-offs between the performance and the sample-complexity of worst-case and average-case learning. From a practical point of view, we propose a novel algorithm based on risk-aware optimization that effectively balances average- and worst-case performance at a considerably lower computational cost relative to adversarial training. Our results on MNIST, CIFAR-10, and SVHN illustrate the advantages of this framework on the spectrum from average- to worst-case robustness.

In domains ranging from computer vision to natural language processing, machine learning models have been shown to exhibit stark disparities, often performing worse for members of traditionally underserved groups. One factor contributing to these performance gaps is a lack of representation in the data the models are trained on. It is often unclear, however, how to operationalize representativeness in specific applications. Here we formalize the problem of creating equitable training datasets, and propose a statistical framework for addressing this problem. We consider a setting where a model builder must decide how to allocate a fixed data collection budget to gather training data from different subgroups. We then frame dataset creation as a constrained optimization problem, in which one maximizes a function of group-specific performance metrics based on (estimated) group-specific learning rates and costs per sample. This flexible approach incorporates preferences of model-builders and other stakeholders, as well as the statistical properties of the learning task. When data collection decisions are made sequentially, we show that under certain conditions this optimization problem can be efficiently solved even without prior knowledge of the learning rates. To illustrate our approach, we conduct a simulation study of polygenic risk scores on synthetic genomic data -- an application domain that often suffers from non-representative data collection. We find that our adaptive sampling strategy outperforms several common data collection heuristics, including equal and proportional sampling, demonstrating the value of strategic dataset design for building equitable models.

Graph Neural Networks (GNNs) have shown promising results on a broad spectrum of applications. Most empirical studies of GNNs directly take the observed graph as input, assuming the observed structure perfectly depicts the accurate and complete relations between nodes. However, graphs in the real world are inevitably noisy or incomplete, which could even exacerbate the quality of graph representations. In this work, we propose a novel Variational Information Bottleneck guided Graph Structure Learning framework, namely VIB-GSL, in the perspective of information theory. VIB-GSL advances the Information Bottleneck (IB) principle for graph structure learning, providing a more elegant and universal framework for mining underlying task-relevant relations. VIB-GSL learns an informative and compressive graph structure to distill the actionable information for specific downstream tasks. VIB-GSL deduces a variational approximation for irregular graph data to form a tractable IB objective function, which facilitates training stability. Extensive experimental results demonstrate that the superior effectiveness and robustness of VIB-GSL.

Pre-trained Language Models (PLMs) have achieved great success in various Natural Language Processing (NLP) tasks under the pre-training and fine-tuning paradigm. With large quantities of parameters, PLMs are computation-intensive and resource-hungry. Hence, model pruning has been introduced to compress large-scale PLMs. However, most prior approaches only consider task-specific knowledge towards downstream tasks, but ignore the essential task-agnostic knowledge during pruning, which may cause catastrophic forgetting problem and lead to poor generalization ability. To maintain both task-agnostic and task-specific knowledge in our pruned model, we propose ContrAstive Pruning (CAP) under the paradigm of pre-training and fine-tuning. It is designed as a general framework, compatible with both structured and unstructured pruning. Unified in contrastive learning, CAP enables the pruned model to learn from the pre-trained model for task-agnostic knowledge, and fine-tuned model for task-specific knowledge. Besides, to better retain the performance of the pruned model, the snapshots (i.e., the intermediate models at each pruning iteration) also serve as effective supervisions for pruning. Our extensive experiments show that adopting CAP consistently yields significant improvements, especially in extremely high sparsity scenarios. With only 3% model parameters reserved (i.e., 97% sparsity), CAP successfully achieves 99.2% and 96.3% of the original BERT performance in QQP and MNLI tasks. In addition, our probing experiments demonstrate that the model pruned by CAP tends to achieve better generalization ability.

Learning a graph topology to reveal the underlying relationship between data entities plays an important role in various machine learning and data analysis tasks. Under the assumption that structured data vary smoothly over a graph, the problem can be formulated as a regularised convex optimisation over a positive semidefinite cone and solved by iterative algorithms. Classic methods require an explicit convex function to reflect generic topological priors, e.g. the $\ell_1$ penalty for enforcing sparsity, which limits the flexibility and expressiveness in learning rich topological structures. We propose to learn a mapping from node data to the graph structure based on the idea of learning to optimise (L2O). Specifically, our model first unrolls an iterative primal-dual splitting algorithm into a neural network. The key structural proximal projection is replaced with a variational autoencoder that refines the estimated graph with enhanced topological properties. The model is trained in an end-to-end fashion with pairs of node data and graph samples. Experiments on both synthetic and real-world data demonstrate that our model is more efficient than classic iterative algorithms in learning a graph with specific topological properties.

Multi-task learning (MTL) aims to improve the generalization of several related tasks by learning them jointly. As a comparison, in addition to the joint training scheme, modern meta-learning allows unseen tasks with limited labels during the test phase, in the hope of fast adaptation over them. Despite the subtle difference between MTL and meta-learning in the problem formulation, both learning paradigms share the same insight that the shared structure between existing training tasks could lead to better generalization and adaptation. In this paper, we take one important step further to understand the close connection between these two learning paradigms, through both theoretical analysis and empirical investigation. Theoretically, we first demonstrate that MTL shares the same optimization formulation with a class of gradient-based meta-learning (GBML) algorithms. We then prove that for over-parameterized neural networks with sufficient depth, the learned predictive functions of MTL and GBML are close. In particular, this result implies that the predictions given by these two models are similar over the same unseen task. Empirically, we corroborate our theoretical findings by showing that, with proper implementation, MTL is competitive against state-of-the-art GBML algorithms on a set of few-shot image classification benchmarks. Since existing GBML algorithms often involve costly second-order bi-level optimization, our first-order MTL method is an order of magnitude faster on large-scale datasets such as mini-ImageNet. We believe this work could help bridge the gap between these two learning paradigms, and provide a computationally efficient alternative to GBML that also supports fast task adaptation.

Learning low-dimensional representations for entities and relations in knowledge graphs using contrastive estimation represents a scalable and effective method for inferring connectivity patterns. A crucial aspect of contrastive learning approaches is the choice of corruption distribution that generates hard negative samples, which force the embedding model to learn discriminative representations and find critical characteristics of observed data. While earlier methods either employ too simple corruption distributions, i.e. uniform, yielding easy uninformative negatives or sophisticated adversarial distributions with challenging optimization schemes, they do not explicitly incorporate known graph structure resulting in suboptimal negatives. In this paper, we propose Structure Aware Negative Sampling (SANS), an inexpensive negative sampling strategy that utilizes the rich graph structure by selecting negative samples from a node's k-hop neighborhood. Empirically, we demonstrate that SANS finds high-quality negatives that are highly competitive with SOTA methods, and requires no additional parameters nor difficult adversarial optimization.

Discovering causal structure among a set of variables is a fundamental problem in many empirical sciences. Traditional score-based casual discovery methods rely on various local heuristics to search for a Directed Acyclic Graph (DAG) according to a predefined score function. While these methods, e.g., greedy equivalence search, may have attractive results with infinite samples and certain model assumptions, they are usually less satisfactory in practice due to finite data and possible violation of assumptions. Motivated by recent advances in neural combinatorial optimization, we propose to use Reinforcement Learning (RL) to search for the DAG with the best scoring. Our encoder-decoder model takes observable data as input and generates graph adjacency matrices that are used to compute rewards. The reward incorporates both the predefined score function and two penalty terms for enforcing acyclicity. In contrast with typical RL applications where the goal is to learn a policy, we use RL as a search strategy and our final output would be the graph, among all graphs generated during training, that achieves the best reward. We conduct experiments on both synthetic and real datasets, and show that the proposed approach not only has an improved search ability but also allows a flexible score function under the acyclicity constraint.

Deep neural networks have been shown to be very powerful modeling tools for many supervised learning tasks involving complex input patterns. However, they can also easily overfit to training set biases and label noises. In addition to various regularizers, example reweighting algorithms are popular solutions to these problems, but they require careful tuning of additional hyperparameters, such as example mining schedules and regularization hyperparameters. In contrast to past reweighting methods, which typically consist of functions of the cost value of each example, in this work we propose a novel meta-learning algorithm that learns to assign weights to training examples based on their gradient directions. To determine the example weights, our method performs a meta gradient descent step on the current mini-batch example weights (which are initialized from zero) to minimize the loss on a clean unbiased validation set. Our proposed method can be easily implemented on any type of deep network, does not require any additional hyperparameter tuning, and achieves impressive performance on class imbalance and corrupted label problems where only a small amount of clean validation data is available.

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.