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In this work, we investigate the problem of out-of-distribution (OOD) generalization for unsupervised learning methods on graph data. This scenario is particularly challenging because graph neural networks (GNNs) have been shown to be sensitive to distributional shifts, even when labels are available. To address this challenge, we propose a \underline{M}odel-\underline{A}gnostic \underline{R}ecipe for \underline{I}mproving \underline{O}OD generalizability of unsupervised graph contrastive learning methods, which we refer to as MARIO. MARIO introduces two principles aimed at developing distributional-shift-robust graph contrastive methods to overcome the limitations of existing frameworks: (i) Information Bottleneck (IB) principle for achieving generalizable representations and (ii) Invariant principle that incorporates adversarial data augmentation to obtain invariant representations. To the best of our knowledge, this is the first work that investigates the OOD generalization problem of graph contrastive learning, with a specific focus on node-level tasks. Through extensive experiments, we demonstrate that our method achieves state-of-the-art performance on the OOD test set, while maintaining comparable performance on the in-distribution test set when compared to existing approaches. The source code for our method can be found at: //github.com/ZhuYun97/MARIO

The trustworthiness of machine learning has emerged as a critical topic in the field, encompassing various applications and research areas such as robustness, security, interpretability, and fairness. The last decade saw the development of numerous methods addressing these challenges. In this survey, we systematically review these advancements from a data-centric perspective, highlighting the shortcomings of traditional empirical risk minimization (ERM) training in handling challenges posed by the data. Interestingly, we observe a convergence of these methods, despite being developed independently across trustworthy machine learning subfields. Pearl's hierarchy of causality offers a unifying framework for these techniques. Accordingly, this survey presents the background of trustworthy machine learning development using a unified set of concepts, connects this language to Pearl's causal hierarchy, and finally discusses methods explicitly inspired by causality literature. We provide a unified language with mathematical vocabulary to link these methods across robustness, adversarial robustness, interpretability, and fairness, fostering a more cohesive understanding of the field. Further, we explore the trustworthiness of large pretrained models. After summarizing dominant techniques like fine-tuning, parameter-efficient fine-tuning, prompting, and reinforcement learning with human feedback, we draw connections between them and the standard ERM. This connection allows us to build upon the principled understanding of trustworthy methods, extending it to these new techniques in large pretrained models, paving the way for future methods. Existing methods under this perspective are also reviewed. Lastly, we offer a brief summary of the applications of these methods and discuss potential future aspects related to our survey. For more information, please visit //trustai.one.

In real-world applications, perfect labels are rarely available, making it challenging to develop robust machine learning algorithms that can handle noisy labels. Recent methods have focused on filtering noise based on the discrepancy between model predictions and given noisy labels, assuming that samples with small classification losses are clean. This work takes a different approach by leveraging the consistency between the learned model and the entire noisy dataset using the rich representational and topological information in the data. We introduce LaplaceConfidence, a method that to obtain label confidence (i.e., clean probabilities) utilizing the Laplacian energy. Specifically, it first constructs graphs based on the feature representations of all noisy samples and minimizes the Laplacian energy to produce a low-energy graph. Clean labels should fit well into the low-energy graph while noisy ones should not, allowing our method to determine data's clean probabilities. Furthermore, LaplaceConfidence is embedded into a holistic method for robust training, where co-training technique generates unbiased label confidence and label refurbishment technique better utilizes it. We also explore the dimensionality reduction technique to accommodate our method on large-scale noisy datasets. Our experiments demonstrate that LaplaceConfidence outperforms state-of-the-art methods on benchmark datasets under both synthetic and real-world noise.

In the rapidly advancing field of multi-modal machine learning (MMML), the convergence of multiple data modalities has the potential to reshape various applications. This paper presents a comprehensive overview of the current state, advancements, and challenges of MMML within the sphere of engineering design. The review begins with a deep dive into five fundamental concepts of MMML:multi-modal information representation, fusion, alignment, translation, and co-learning. Following this, we explore the cutting-edge applications of MMML, placing a particular emphasis on tasks pertinent to engineering design, such as cross-modal synthesis, multi-modal prediction, and cross-modal information retrieval. Through this comprehensive overview, we highlight the inherent challenges in adopting MMML in engineering design, and proffer potential directions for future research. To spur on the continued evolution of MMML in engineering design, we advocate for concentrated efforts to construct extensive multi-modal design datasets, develop effective data-driven MMML techniques tailored to design applications, and enhance the scalability and interpretability of MMML models. MMML models, as the next generation of intelligent design tools, hold a promising future to impact how products are designed.

Even though machine learning (ML) pipelines affect an increasing array of stakeholders, there is little work on how input from stakeholders is recorded and incorporated. We propose FeedbackLogs, addenda to existing documentation of ML pipelines, to track the input of multiple stakeholders. Each log records important details about the feedback collection process, the feedback itself, and how the feedback is used to update the ML pipeline. In this paper, we introduce and formalise a process for collecting a FeedbackLog. We also provide concrete use cases where FeedbackLogs can be employed as evidence for algorithmic auditing and as a tool to record updates based on stakeholder feedback.

Cyber-physical systems (CPS) offer immense optimization potential for manufacturing processes through the availability of multivariate time series data of actors and sensors. Based on automated analysis software, the deployment of adaptive and responsive measures is possible for time series data. Due to the complex and dynamic nature of modern manufacturing, analysis and modeling often cannot be entirely automated. Even machine- or deep learning approaches often depend on a priori expert knowledge and labelling. In this paper, an information-based data preprocessing approach is proposed. By applying statistical methods including variance and correlation analysis, an approximation of the sampling rate in event-based systems and the utilization of spectral analysis, knowledge about the underlying manufacturing processes can be gained prior to modeling. The paper presents, how statistical analysis enables the pruning of a dataset's least important features and how the sampling rate approximation approach sets the base for further data analysis and modeling. The data's underlying periodicity, originating from the cyclic nature of an automated manufacturing process, will be detected by utilizing the fast Fourier transform. This information-based preprocessing method will then be validated for process time series data of cyber-physical systems' programmable logic controllers (PLC).

The incredible development of federated learning (FL) has benefited various tasks in the domains of computer vision and natural language processing, and the existing frameworks such as TFF and FATE has made the deployment easy in real-world applications. However, federated graph learning (FGL), even though graph data are prevalent, has not been well supported due to its unique characteristics and requirements. The lack of FGL-related framework increases the efforts for accomplishing reproducible research and deploying in real-world applications. Motivated by such strong demand, in this paper, we first discuss the challenges in creating an easy-to-use FGL package and accordingly present our implemented package FederatedScope-GNN (FS-G), which provides (1) a unified view for modularizing and expressing FGL algorithms; (2) comprehensive DataZoo and ModelZoo for out-of-the-box FGL capability; (3) an efficient model auto-tuning component; and (4) off-the-shelf privacy attack and defense abilities. We validate the effectiveness of FS-G by conducting extensive experiments, which simultaneously gains many valuable insights about FGL for the community. Moreover, we employ FS-G to serve the FGL application in real-world E-commerce scenarios, where the attained improvements indicate great potential business benefits. We publicly release FS-G, as submodules of FederatedScope, at //github.com/alibaba/FederatedScope to promote FGL's research and enable broad applications that would otherwise be infeasible due to the lack of a dedicated package.

There recently has been a surge of interest in developing a new class of deep learning (DL) architectures that integrate an explicit time dimension as a fundamental building block of learning and representation mechanisms. In turn, many recent results show that topological descriptors of the observed data, encoding information on the shape of the dataset in a topological space at different scales, that is, persistent homology of the data, may contain important complementary information, improving both performance and robustness of DL. As convergence of these two emerging ideas, we propose to enhance DL architectures with the most salient time-conditioned topological information of the data and introduce the concept of zigzag persistence into time-aware graph convolutional networks (GCNs). Zigzag persistence provides a systematic and mathematically rigorous framework to track the most important topological features of the observed data that tend to manifest themselves over time. To integrate the extracted time-conditioned topological descriptors into DL, we develop a new topological summary, zigzag persistence image, and derive its theoretical stability guarantees. We validate the new GCNs with a time-aware zigzag topological layer (Z-GCNETs), in application to traffic forecasting and Ethereum blockchain price prediction. Our results indicate that Z-GCNET outperforms 13 state-of-the-art methods on 4 time series datasets.

The notion of uncertainty is of major importance in machine learning and constitutes a key element of machine learning methodology. In line with the statistical tradition, uncertainty has long been perceived as almost synonymous with standard probability and probabilistic predictions. Yet, due to the steadily increasing relevance of machine learning for practical applications and related issues such as safety requirements, new problems and challenges have recently been identified by machine learning scholars, and these problems may call for new methodological developments. In particular, this includes the importance of distinguishing between (at least) two different types of uncertainty, often refereed to as aleatoric and epistemic. In this paper, we provide an introduction to the topic of uncertainty in machine learning as well as an overview of hitherto attempts at handling uncertainty in general and formalizing this distinction in particular.

Meta-reinforcement learning algorithms can enable robots to acquire new skills much more quickly, by leveraging prior experience to learn how to learn. However, much of the current research on meta-reinforcement learning focuses on task distributions that are very narrow. For example, a commonly used meta-reinforcement learning benchmark uses different running velocities for a simulated robot as different tasks. When policies are meta-trained on such narrow task distributions, they cannot possibly generalize to more quickly acquire entirely new tasks. Therefore, if the aim of these methods is to enable faster acquisition of entirely new behaviors, we must evaluate them on task distributions that are sufficiently broad to enable generalization to new behaviors. In this paper, we propose an open-source simulated benchmark for meta-reinforcement learning and multi-task learning consisting of 50 distinct robotic manipulation tasks. Our aim is to make it possible to develop algorithms that generalize to accelerate the acquisition of entirely new, held-out tasks. We evaluate 6 state-of-the-art meta-reinforcement learning and multi-task learning algorithms on these tasks. Surprisingly, while each task and its variations (e.g., with different object positions) can be learned with reasonable success, these algorithms struggle to learn with multiple tasks at the same time, even with as few as ten distinct training tasks. Our analysis and open-source environments pave the way for future research in multi-task learning and meta-learning that can enable meaningful generalization, thereby unlocking the full potential of these methods.