Deep Generative Models (DGMs) have rapidly advanced in recent years, becoming essential tools in various fields due to their ability to learn complex data distributions and generate synthetic data. Their importance in transportation research is increasingly recognized, particularly for applications like traffic data generation, prediction, and feature extraction. This paper offers a comprehensive introduction and tutorial on DGMs, with a focus on their applications in transportation. It begins with an overview of generative models, followed by detailed explanations of fundamental models, a systematic review of the literature, and practical tutorial code to aid implementation. The paper also discusses current challenges and opportunities, highlighting how these models can be effectively utilized and further developed in transportation research. This paper serves as a valuable reference, guiding researchers and practitioners from foundational knowledge to advanced applications of DGMs in transportation research.

In recent times, a considerable number of research studies have been carried out to address the issue of Missing Value Imputation (MVI). MVI aims to provide a primary solution for datasets that have one or more missing attribute values. The advancements in Artificial Intelligence (AI) drive the development of new and improved machine learning (ML) algorithms and methods. The advancements in ML have opened up significant opportunities for effectively imputing these missing values. The main objective of this article is to conduct a comprehensive and rigorous review, as well as analysis, of the state-of-the-art ML applications in MVI methods. This analysis seeks to enhance researchers' understanding of the subject and facilitate the development of robust and impactful interventions in data preprocessing for Data Analytics. The review is performed following the Preferred Reporting Items for Systematic Reviews and Meta-Analysis (PRISMA) technique. More than 100 articles published between 2014 and 2023 are critically reviewed, considering the methods and findings. Furthermore, the latest literature is examined to scrutinize the trends in MVI methods and their evaluation. The accomplishments and limitations of the existing literature are discussed in detail. The survey concludes by identifying the current gaps in research and providing suggestions for future research directions and emerging trends in related fields of interest.

Federated Learning (FL) has emerged as a privacy-preserving method for training machine learning models in a distributed manner on edge devices. However, on-device models face inherent computational power and memory limitations, potentially resulting in constrained gradient updates. As the model's size increases, the frequency of gradient updates on edge devices decreases, ultimately leading to suboptimal training outcomes during any particular FL round. This limits the feasibility of deploying advanced and large-scale models on edge devices, hindering the potential for performance enhancements. To address this issue, we propose FedRepOpt, a gradient re-parameterized optimizer for FL. The gradient re-parameterized method allows training a simple local model with a similar performance as a complex model by modifying the optimizer's gradients according to a set of model-specific hyperparameters obtained from the complex models. In this work, we focus on VGG-style and Ghost-style models in the FL environment. Extensive experiments demonstrate that models using FedRepOpt obtain a significant boost in performance of 16.7% and 11.4% compared to the RepGhost-style and RepVGG-style networks, while also demonstrating a faster convergence time of 11.7% and 57.4% compared to their complex structure.

Sparse autoencoders have recently produced dictionaries of high-dimensional vectors corresponding to the universe of concepts represented by large language models. We find that this concept universe has interesting structure at three levels: 1) The "atomic" small-scale structure contains "crystals" whose faces are parallelograms or trapezoids, generalizing well-known examples such as (man-woman-king-queen). We find that the quality of such parallelograms and associated function vectors improves greatly when projecting out global distractor directions such as word length, which is efficiently done with linear discriminant analysis. 2) The "brain" intermediate-scale structure has significant spatial modularity; for example, math and code features form a "lobe" akin to functional lobes seen in neural fMRI images. We quantify the spatial locality of these lobes with multiple metrics and find that clusters of co-occurring features, at coarse enough scale, also cluster together spatially far more than one would expect if feature geometry were random. 3) The "galaxy" scale large-scale structure of the feature point cloud is not isotropic, but instead has a power law of eigenvalues with steepest slope in middle layers. We also quantify how the clustering entropy depends on the layer.

The remarkable capability of Transformers to do reasoning and few-shot learning, without any fine-tuning, is widely conjectured to stem from their ability to implicitly simulate a multi-step algorithms -- such as gradient descent -- with their weights in a single forward pass. Recently, there has been progress in understanding this complex phenomenon from an expressivity point of view, by demonstrating that Transformers can express such multi-step algorithms. However, our knowledge about the more fundamental aspect of its learnability, beyond single layer models, is very limited. In particular, can training Transformers enable convergence to algorithmic solutions? In this work we resolve this for in-context linear regression with linear looped Transformers -- a multi-layer model with weight sharing that is conjectured to have an inductive bias to learn fix-point iterative algorithms. More specifically, for this setting we show that the global minimizer of the population training loss implements multi-step preconditioned gradient descent, with a preconditioner that adapts to the data distribution. Furthermore, we show a fast convergence for gradient flow on the regression loss, despite the non-convexity of the landscape, by proving a novel gradient dominance condition. To our knowledge, this is the first theoretical analysis for multi-layer Transformer in this setting. We further validate our theoretical findings through synthetic experiments.

We explore a robust version of the barycenter problem among $n$ centered Gaussian probability measures, termed Semi-Unbalanced Optimal Transport (SUOT)-based Barycenter, wherein the barycenter remains fixed while the others are relaxed using Kullback-Leibler divergence. We develop optimization algorithms on Bures-Wasserstein manifold, named the Exact Geodesic Gradient Descent and Hybrid Gradient Descent algorithms. While the Exact Geodesic Gradient Descent method is based on computing the exact closed form of the first-order derivative of the objective function of the barycenter along a geodesic on the Bures manifold, the Hybrid Gradient Descent method utilizes optimizer components when solving the SUOT problem to replace outlier measures before applying the Riemannian Gradient Descent. We establish the theoretical convergence guarantees for both methods and demonstrate that the Exact Geodesic Gradient Descent algorithm attains a dimension-free convergence rate. Finally, we conduct experiments to compare the normal Wasserstein Barycenter with ours and perform an ablation study.

Residential rooftop solar adoption is considered crucial for reducing carbon emissions. The lack of photovoltaic (PV) data at a finer resolution (e.g., household, hourly levels) poses a significant roadblock to informed decision-making. We discuss a novel methodology to generate a highly granular, residential-scale realistic dataset for rooftop solar adoption across the contiguous United States. The data-driven methodology consists of: (i) integrated machine learning models to identify PV adopters, (ii) methods to augment the data using explainable AI techniques to glean insights about key features and their interactions, and (iii) methods to generate household-level hourly solar energy output using an analytical model. The resulting synthetic datasets are validated using real-world data and can serve as a digital twin for modeling downstream tasks. Finally, a policy-based case study utilizing the digital twin for Virginia demonstrated increased rooftop solar adoption with the 30\% Federal Solar Investment Tax Credit, especially in Low-to-Moderate-Income communities.

Many numerical algorithms and learning tasks rest on solution of the Monge-Kantorovich problem and corresponding Wasserstein distances. While the natural approach is to treat the problem as an infinite-dimensional linear programming, such a methodology severely limits the computational performance due to the polynomial scaling with respect to the sample size along with intensive memory requirements. We propose a novel alternative framework to address the Monge-Kantorovich problem based on a projection type gradient descent scheme. The micro-dynamics is built on the notion of the conditional expectation, where the connection with the opinion dynamics is explored and leveraged to build compact numerical schemes. We demonstrate that the devised dynamics recovers random maps with favourable computational performance. Along with the theoretical insight, the provided dynamics paves the way for innovative approaches to construct numerical schemes for computing optimal transport maps as well as Wasserstein distances.

Kolmogorov--Arnold Networks (KANs), a recently proposed neural network architecture, have gained significant attention in the deep learning community, due to their potential as a viable alternative to multi-layer perceptrons (MLPs) and their broad applicability to various scientific tasks. Empirical investigations demonstrate that KANs optimized via stochastic gradient descent (SGD) are capable of achieving near-zero training loss in various machine learning (e.g., regression, classification, and time series forecasting, etc.) and scientific tasks (e.g., solving partial differential equations). In this paper, we provide a theoretical explanation for the empirical success by conducting a rigorous convergence analysis of gradient descent (GD) and SGD for two-layer KANs in solving both regression and physics-informed tasks. For regression problems, we establish using the neural tangent kernel perspective that GD achieves global linear convergence of the objective function when the hidden dimension of KANs is sufficiently large. We further extend these results to SGD, demonstrating a similar global convergence in expectation. Additionally, we analyze the global convergence of GD and SGD for physics-informed KANs, which unveils additional challenges due to the more complex loss structure. This is the first work establishing the global convergence guarantees for GD and SGD applied to optimize KANs and physics-informed KANs.

We propose a new variant of the strategic classification problem: a principal reveals a classifier, and $n$ agents report their (possibly manipulated) features to be classified. Motivated by real-world applications, our model crucially allows the manipulation of one agent to affect another; that is, it explicitly captures inter-agent externalities. The principal-agent interactions are formally modeled as a Stackelberg game, with the resulting agent manipulation dynamics captured as a simultaneous game. We show that under certain assumptions, the pure Nash Equilibrium of this agent manipulation game is unique and can be efficiently computed. Leveraging this result, PAC learning guarantees are established for the learner: informally, we show that it is possible to learn classifiers that minimize loss on the distribution, even when a random number of agents are manipulating their way to a pure Nash Equilibrium. We also comment on the optimization of such classifiers through gradient-based approaches. This work sets the theoretical foundations for a more realistic analysis of classifiers that are robust against multiple strategic actors interacting in a common environment.