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In this study, we introduce a novel framework called Toast for learning general-purpose representations of road networks, along with its advanced counterpart DyToast, designed to enhance the integration of temporal dynamics to boost the performance of various time-sensitive downstream tasks. Specifically, we propose to encode two pivotal semantic characteristics intrinsic to road networks: traffic patterns and traveling semantics. To achieve this, we refine the skip-gram module by incorporating auxiliary objectives aimed at predicting the traffic context associated with a target road segment. Moreover, we leverage trajectory data and design pre-training strategies based on Transformer to distill traveling semantics on road networks. DyToast further augments this framework by employing unified trigonometric functions characterized by their beneficial properties, enabling the capture of temporal evolution and dynamic nature of road networks more effectively. With these proposed techniques, we can obtain representations that encode multi-faceted aspects of knowledge within road networks, applicable across both road segment-based applications and trajectory-based applications. Extensive experiments on two real-world datasets across three tasks demonstrate that our proposed framework consistently outperforms the state-of-the-art baselines by a significant margin.

In offline reinforcement learning (RL), an RL agent learns to solve a task using only a fixed dataset of previously collected data. While offline RL has been successful in learning real-world robot control policies, it typically requires large amounts of expert-quality data to learn effective policies that generalize to out-of-distribution states. Unfortunately, such data is often difficult and expensive to acquire in real-world tasks. Several recent works have leveraged data augmentation (DA) to inexpensively generate additional data, but most DA works apply augmentations in a random fashion and ultimately produce highly suboptimal augmented experience. In this work, we propose Guided Data Augmentation (GuDA), a human-guided DA framework that generates expert-quality augmented data. The key insight behind GuDA is that while it may be difficult to demonstrate the sequence of actions required to produce expert data, a user can often easily characterize when an augmented trajectory segment represents progress toward task completion. Thus, a user can restrict the space of possible augmentations to automatically reject suboptimal augmented data. To extract a policy from GuDA, we use off-the-shelf offline reinforcement learning and behavior cloning algorithms. We evaluate GuDA on a physical robot soccer task as well as simulated D4RL navigation tasks, a simulated autonomous driving task, and a simulated soccer task. Empirically, GuDA enables learning given a small initial dataset of potentially suboptimal experience and outperforms a random DA strategy as well as a model-based DA strategy.

This work presents a sustainable multi-agent deep reinforcement learning framework capable of selectively scaling parallelized training workloads on-demand, and transferring the trained policies from simulation to reality using minimal hardware resources. We introduce AutoDRIVE Ecosystem as an enabling digital twin framework to train, deploy, and transfer cooperative as well as competitive multi-agent reinforcement learning policies from simulation to reality. Particularly, we first investigate an intersection traversal problem of 4 cooperative vehicles (Nigel) that share limited state information in single as well as multi-agent learning settings using a common policy approach. We then investigate an adversarial autonomous racing problem of 2 vehicles (F1TENTH) using an individual policy approach. In either set of experiments, a decentralized learning architecture was adopted, which allowed robust training and testing of the policies in stochastic environments. The agents were provided with realistically sparse observation spaces, and were restricted to sample control actions that implicitly satisfied the imposed kinodynamic and safety constraints. The experimental results for both problem statements are reported in terms of quantitative metrics and qualitative remarks for training as well as deployment phases. We also discuss agent and environment parallelization techniques adopted to efficiently accelerate MARL training, while analyzing their computational performance. Finally, we demonstrate a resource-aware transition of the trained policies from simulation to reality using the proposed digital twin framework.

Existing work in scientific machine learning (SciML) has shown that data-driven learning of solution operators can provide a fast approximate alternative to classical numerical partial differential equation (PDE) solvers. Of these, Neural Operators (NOs) have emerged as particularly promising. We observe that several uncertainty quantification (UQ) methods for NOs fail for test inputs that are even moderately out-of-domain (OOD), even when the model approximates the solution well for in-domain tasks. To address this limitation, we show that ensembling several NOs can identify high-error regions and provide good uncertainty estimates that are well-correlated with prediction errors. Based on this, we propose a cost-effective alternative, DiverseNO, that mimics the properties of the ensemble by encouraging diverse predictions from its multiple heads in the last feed-forward layer. We then introduce Operator-ProbConserv, a method that uses these well-calibrated UQ estimates within the ProbConserv framework to update the model. Our empirical results show that Operator-ProbConserv enhances OOD model performance for a variety of challenging PDE problems and satisfies physical constraints such as conservation laws.

Despite the importance of denoising in modern machine learning and ample empirical work on supervised denoising, its theoretical understanding is still relatively scarce. One concern about studying supervised denoising is that one might not always have noiseless training data from the test distribution. It is more reasonable to have access to noiseless training data from a different dataset than the test dataset. Motivated by this, we study supervised denoising and noisy-input regression under distribution shift. We add three considerations to increase the applicability of our theoretical insights to real-life data and modern machine learning. First, while most past theoretical work assumes that the data covariance matrix is full-rank and well-conditioned, empirical studies have shown that real-life data is approximately low-rank. Thus, we assume that our data matrices are low-rank. Second, we drop independence assumptions on our data. Third, the rise in computational power and dimensionality of data have made it important to study non-classical regimes of learning. Thus, we work in the non-classical proportional regime, where data dimension $d$ and number of samples $N$ grow as $d/N = c + o(1)$. For this setting, we derive data-dependent, instance specific expressions for the test error for both denoising and noisy-input regression, and study when overfitting the noise is benign, tempered or catastrophic. We show that the test error exhibits double descent under general distribution shift, providing insights for data augmentation and the role of noise as an implicit regularizer. We also perform experiments using real-life data, where we match the theoretical predictions with under 1\% MSE error for low-rank data.

In recent years, various machine and deep learning architectures have been successfully introduced to the field of predictive process analytics. Nevertheless, the inherent opacity of these algorithms poses a significant challenge for human decision-makers, hindering their ability to understand the reasoning behind the predictions. This growing concern has sparked the introduction of counterfactual explanations, designed as human-understandable what if scenarios, to provide clearer insights into the decision-making process behind undesirable predictions. The generation of counterfactual explanations, however, encounters specific challenges when dealing with the sequential nature of the (business) process cases typically used in predictive process analytics. Our paper tackles this challenge by introducing a data-driven approach, REVISEDplus, to generate more feasible and plausible counterfactual explanations. First, we restrict the counterfactual algorithm to generate counterfactuals that lie within a high-density region of the process data, ensuring that the proposed counterfactuals are realistic and feasible within the observed process data distribution. Additionally, we ensure plausibility by learning sequential patterns between the activities in the process cases, utilising Declare language templates. Finally, we evaluate the properties that define the validity of counterfactuals.

Difficulties in replication and reproducibility of empirical evidences in machine learning research have become a prominent topic in recent years. Ensuring that machine learning research results are sound and reliable requires reproducibility, which verifies the reliability of research findings using the same code and data. This promotes open and accessible research, robust experimental workflows, and the rapid integration of new findings. Evaluating the degree to which research publications support these different aspects of reproducibility is one goal of the present work. For this we introduce an ontology of reproducibility in machine learning and apply it to methods for graph neural networks. Building on these efforts we turn towards another critical challenge in machine learning, namely the curse of dimensionality, which poses challenges in data collection, representation, and analysis, making it harder to find representative data and impeding the training and inference processes. Using the closely linked concept of geometric intrinsic dimension we investigate to which extend the used machine learning models are influenced by the intrinsic dimension of the data sets they are trained on.

Learning-based techniques such as artificial intelligence (AI) and machine learning (ML) play an increasingly important role in the development of future communication networks. The success of a learning algorithm depends on the quality and quantity of the available training data. In the physical layer (PHY), channel information data can be obtained either through measurement campaigns or through simulations based on predefined channel models. Performing measurements can be time consuming while only gaining information about one specific position or scenario. Simulated data, on the other hand, are more generalized and reflect in most cases not a real environment but instead, a statistical approximation based on a mathematical model. This paper presents a procedure for acquiring channel data by means of fast and flexible software defined radio (SDR) based channel measurements along with a method for a parameter extraction that provides configuration input to the simulator. The procedure from the measurement to the simulated channel data is demonstrated in two exemplary propagation scenarios. It is shown, that in both cases the simulated data is in good accordance to the measurements

Data augmentation, the artificial creation of training data for machine learning by transformations, is a widely studied research field across machine learning disciplines. While it is useful for increasing the generalization capabilities of a model, it can also address many other challenges and problems, from overcoming a limited amount of training data over regularizing the objective to limiting the amount data used to protect privacy. Based on a precise description of the goals and applications of data augmentation (C1) and a taxonomy for existing works (C2), this survey is concerned with data augmentation methods for textual classification and aims to achieve a concise and comprehensive overview for researchers and practitioners (C3). Derived from the taxonomy, we divided more than 100 methods into 12 different groupings and provide state-of-the-art references expounding which methods are highly promising (C4). Finally, research perspectives that may constitute a building block for future work are given (C5).

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.