Traditional machine learning paradigms are based on the assumption that both training and test data follow the same statistical pattern, which is mathematically referred to as Independent and Identically Distributed ($i.i.d.$). However, in real-world applications, this $i.i.d.$ assumption often fails to hold due to unforeseen distributional shifts, leading to considerable degradation in model performance upon deployment. This observed discrepancy indicates the significance of investigating the Out-of-Distribution (OOD) generalization problem. OOD generalization is an emerging topic of machine learning research that focuses on complex scenarios wherein the distributions of the test data differ from those of the training data. This paper represents the first comprehensive, systematic review of OOD generalization, encompassing a spectrum of aspects from problem definition, methodological development, and evaluation procedures, to the implications and future directions of the field. Our discussion begins with a precise, formal characterization of the OOD generalization problem. Following that, we categorize existing methodologies into three segments: unsupervised representation learning, supervised model learning, and optimization, according to their positions within the overarching learning process. We provide an in-depth discussion on representative methodologies for each category, further elucidating the theoretical links between them. Subsequently, we outline the prevailing benchmark datasets employed in OOD generalization studies. To conclude, we overview the existing body of work in this domain and suggest potential avenues for future research on OOD generalization. A summary of the OOD generalization methodologies surveyed in this paper can be accessed at //out-of-distribution-generalization.com.
While deep reinforcement learning has achieved tremendous successes in various applications, most existing works only focus on maximizing the expected value of total return and thus ignore its inherent stochasticity. Such stochasticity is also known as the aleatoric uncertainty and is closely related to the notion of risk. In this work, we make the first attempt to study risk-sensitive deep reinforcement learning under the average reward setting with the variance risk criteria. In particular, we focus on a variance-constrained policy optimization problem where the goal is to find a policy that maximizes the expected value of the long-run average reward, subject to a constraint that the long-run variance of the average reward is upper bounded by a threshold. Utilizing Lagrangian and Fenchel dualities, we transform the original problem into an unconstrained saddle-point policy optimization problem, and propose an actor-critic algorithm that iteratively and efficiently updates the policy, the Lagrange multiplier, and the Fenchel dual variable. When both the value and policy functions are represented by multi-layer overparameterized neural networks, we prove that our actor-critic algorithm generates a sequence of policies that finds a globally optimal policy at a sublinear rate. Further, We provide numerical studies of the proposed method using two real datasets to back up the theoretical results.
Engineering successful machine learning (ML)-enabled systems poses various challenges from both a theoretical and a practical side. Among those challenges are how to effectively address unrealistic expectations of ML capabilities from customers, managers and even other team members, and how to connect business value to engineering and data science activities composed by interdisciplinary teams. In this paper, we present PerSpecML, a perspective-based approach for specifying ML-enabled systems that helps practitioners identify which attributes, including ML and non-ML components, are important to contribute to the overall system's quality. The approach involves analyzing 59 concerns related to typical tasks that practitioners face in ML projects, grouping them into five perspectives: system objectives, user experience, infrastructure, model, and data. Together, these perspectives serve to mediate the communication between business owners, domain experts, designers, software and ML engineers, and data scientists. The creation of PerSpecML involved a series of validations conducted in different contexts: (i) in academia, (ii) with industry representatives, and (iii) in two real industrial case studies. As a result of the diverse validations and continuous improvements, PerSpecML stands as a promising approach, poised to positively impact the specification of ML-enabled systems, particularly helping to reveal key components that would have been otherwise missed without using PerSpecML.
In data-rich domains such as vision, language, and speech, deep learning prevails to deliver high-performance task-specific models and can even learn general task-agnostic representations for efficient finetuning to downstream tasks. However, deep learning in resource-limited domains still faces multiple challenges including (i) limited data, (ii) constrained model development cost, and (iii) lack of adequate pre-trained models for effective finetuning. This paper provides an overview of model reprogramming to bridge this gap. Model reprogramming enables resource-efficient cross-domain machine learning by repurposing and reusing a well-developed pre-trained model from a source domain to solve tasks in a target domain without model finetuning, where the source and target domains can be vastly different. In many applications, model reprogramming outperforms transfer learning and training from scratch. This paper elucidates the methodology of model reprogramming, summarizes existing use cases, provides a theoretical explanation of the success of model reprogramming, and concludes with a discussion on open-ended research questions and opportunities. A list of model reprogramming studies is actively maintained and updated at //github.com/IBM/model-reprogramming.
Graph neural networks (GNNs) are a type of deep learning models that learning over graphs, and have been successfully applied in many domains. Despite the effectiveness of GNNs, it is still challenging for GNNs to efficiently scale to large graphs. As a remedy, distributed computing becomes a promising solution of training large-scale GNNs, since it is able to provide abundant computing resources. However, the dependency of graph structure increases the difficulty of achieving high-efficiency distributed GNN training, which suffers from the massive communication and workload imbalance. In recent years, many efforts have been made on distributed GNN training, and an array of training algorithms and systems have been proposed. Yet, there is a lack of systematic review on the optimization techniques from graph processing to distributed execution. In this survey, we analyze three major challenges in distributed GNN training that are massive feature communication, the loss of model accuracy and workload imbalance. Then we introduce a new taxonomy for the optimization techniques in distributed GNN training that address the above challenges. The new taxonomy classifies existing techniques into four categories that are GNN data partition, GNN batch generation, GNN execution model, and GNN communication protocol.We carefully discuss the techniques in each category. In the end, we summarize existing distributed GNN systems for multi-GPUs, GPU-clusters and CPU-clusters, respectively, and give a discussion about the future direction on scalable GNNs.
Meta-learning has gained wide popularity as a training framework that is more data-efficient than traditional machine learning methods. However, its generalization ability in complex task distributions, such as multimodal tasks, has not been thoroughly studied. Recently, some studies on multimodality-based meta-learning have emerged. This survey provides a comprehensive overview of the multimodality-based meta-learning landscape in terms of the methodologies and applications. We first formalize the definition of meta-learning and multimodality, along with the research challenges in this growing field, such as how to enrich the input in few-shot or zero-shot scenarios and how to generalize the models to new tasks. We then propose a new taxonomy to systematically discuss typical meta-learning algorithms combined with multimodal tasks. We investigate the contributions of related papers and summarize them by our taxonomy. Finally, we propose potential research directions for this promising field.
Deep learning on graphs has attracted significant interests recently. However, most of the works have focused on (semi-) supervised learning, resulting in shortcomings including heavy label reliance, poor generalization, and weak robustness. To address these issues, self-supervised learning (SSL), which extracts informative knowledge through well-designed pretext tasks without relying on manual labels, has become a promising and trending learning paradigm for graph data. Different from SSL on other domains like computer vision and natural language processing, SSL on graphs has an exclusive background, design ideas, and taxonomies. Under the umbrella of graph self-supervised learning, we present a timely and comprehensive review of the existing approaches which employ SSL techniques for graph data. We construct a unified framework that mathematically formalizes the paradigm of graph SSL. According to the objectives of pretext tasks, we divide these approaches into four categories: generation-based, auxiliary property-based, contrast-based, and hybrid approaches. We further conclude the applications of graph SSL across various research fields and summarize the commonly used datasets, evaluation benchmark, performance comparison and open-source codes of graph SSL. Finally, we discuss the remaining challenges and potential future directions in this research field.
Federated learning enables multiple parties to collaboratively train a machine learning model without communicating their local data. A key challenge in federated learning is to handle the heterogeneity of local data distribution across parties. Although many studies have been proposed to address this challenge, we find that they fail to achieve high performance in image datasets with deep learning models. In this paper, we propose MOON: model-contrastive federated learning. MOON is a simple and effective federated learning framework. The key idea of MOON is to utilize the similarity between model representations to correct the local training of individual parties, i.e., conducting contrastive learning in model-level. Our extensive experiments show that MOON significantly outperforms the other state-of-the-art federated learning algorithms on various image classification tasks.
Training machine learning models in a meaningful order, from the easy samples to the hard ones, using curriculum learning can provide performance improvements over the standard training approach based on random data shuffling, without any additional computational costs. Curriculum learning strategies have been successfully employed in all areas of machine learning, in a wide range of tasks. However, the necessity of finding a way to rank the samples from easy to hard, as well as the right pacing function for introducing more difficult data can limit the usage of the curriculum approaches. In this survey, we show how these limits have been tackled in the literature, and we present different curriculum learning instantiations for various tasks in machine learning. We construct a multi-perspective taxonomy of curriculum learning approaches by hand, considering various classification criteria. We further build a hierarchical tree of curriculum learning methods using an agglomerative clustering algorithm, linking the discovered clusters with our taxonomy. At the end, we provide some interesting directions for future work.
The essence of multivariate sequential learning is all about how to extract dependencies in data. These data sets, such as hourly medical records in intensive care units and multi-frequency phonetic time series, often time exhibit not only strong serial dependencies in the individual components (the "marginal" memory) but also non-negligible memories in the cross-sectional dependencies (the "joint" memory). Because of the multivariate complexity in the evolution of the joint distribution that underlies the data generating process, we take a data-driven approach and construct a novel recurrent network architecture, termed Memory-Gated Recurrent Networks (mGRN), with gates explicitly regulating two distinct types of memories: the marginal memory and the joint memory. Through a combination of comprehensive simulation studies and empirical experiments on a range of public datasets, we show that our proposed mGRN architecture consistently outperforms state-of-the-art architectures targeting multivariate time series.
This paper surveys the machine learning literature and presents machine learning as optimization models. Such models can benefit from the advancement of numerical optimization techniques which have already played a distinctive role in several machine learning settings. Particularly, mathematical optimization models are presented for commonly used machine learning approaches for regression, classification, clustering, and deep neural networks as well new emerging applications in machine teaching and empirical model learning. The strengths and the shortcomings of these models are discussed and potential research directions are highlighted.