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Pedestrian trajectory prediction, vital for selfdriving cars and socially-aware robots, is complicated due to intricate interactions between pedestrians, their environment, and other Vulnerable Road Users. This paper presents GSGFormer, an innovative generative model adept at predicting pedestrian trajectories by considering these complex interactions and offering a plethora of potential modal behaviors. We incorporate a heterogeneous graph neural network to capture interactions between pedestrians, semantic maps, and potential destinations. The Transformer module extracts temporal features, while our novel CVAE-Residual-GMM module promotes diverse behavioral modality generation. Through evaluations on multiple public datasets, GSGFormer not only outperforms leading methods with ample data but also remains competitive when data is limited.

Large Language Models (LLMs) have demonstrated impressive inferential capabilities, with numerous research endeavors devoted to enhancing this capacity through prompting. Despite these efforts, a unified epistemological foundation is still conspicuously absent. Drawing inspiration from Kant's a priori philosophy, we propose the UPAR prompting framework, designed to emulate the structure of human cognition within LLMs. The UPAR framework is delineated into four phases: "Understand", "Plan", "Act", and "Reflect", enabling the extraction of structured information from complex contexts, prior planning of solutions, execution according to plan, and self-reflection. This structure significantly augments the explainability and accuracy of LLM inference, producing a human-understandable and inspectable inferential trajectory. Furthermore, our work offers an epistemological foundation for existing prompting techniques, allowing for a possible systematic integration of these methods. With GPT-4, our approach elevates the accuracy from COT baseline of 22.92% to 58.33% in a challenging subset of GSM8K, and from 67.91% to 75.40% in the causal judgment task. Without using few-shot examples or external tools, UPAR significantly outperforms existing prompting methods on SCIBENCH, a challenging dataset containing collegiate-level mathematics, chemistry, and physics scientific problems.

Extractive question answering (QA) systems can enable physicians and researchers to query medical records, a foundational capability for designing clinical studies and understanding patient medical history. However, building these systems typically requires expert-annotated QA pairs. Large language models (LLMs), which can perform extractive QA, depend on high quality data in their prompts, specialized for the application domain. We introduce a novel approach, XAIQA, for generating synthetic QA pairs at scale from data naturally available in electronic health records. Our method uses the idea of a classification model explainer to generate questions and answers about medical concepts corresponding to medical codes. In an expert evaluation with two physicians, our method identifies $2.2\times$ more semantic matches and $3.8\times$ more clinical abbreviations than two popular approaches that use sentence transformers to create QA pairs. In an ML evaluation, adding our QA pairs improves performance of GPT-4 as an extractive QA model, including on difficult questions. In both the expert and ML evaluations, we examine trade-offs between our method and sentence transformers for QA pair generation depending on question difficulty.

The remarkable success of deep learning has prompted interest in its application to medical diagnosis. Even tough state-of-the-art deep learning models have achieved human-level accuracy on the classification of different types of medical data, these models are hardly adopted in clinical workflows, mainly due to their lack of interpretability. The black-box-ness of deep learning models has raised the need for devising strategies to explain the decision process of these models, leading to the creation of the topic of eXplainable Artificial Intelligence (XAI). In this context, we provide a thorough survey of XAI applied to medical diagnosis, including visual, textual, and example-based explanation methods. Moreover, this work reviews the existing medical imaging datasets and the existing metrics for evaluating the quality of the explanations . Complementary to most existing surveys, we include a performance comparison among a set of report generation-based methods. Finally, the major challenges in applying XAI to medical imaging are also discussed.

Deep learning has shown great potential for modeling the physical dynamics of complex particle systems such as fluids (in Lagrangian descriptions). Existing approaches, however, require the supervision of consecutive particle properties, including positions and velocities. In this paper, we consider a partially observable scenario known as fluid dynamics grounding, that is, inferring the state transitions and interactions within the fluid particle systems from sequential visual observations of the fluid surface. We propose a differentiable two-stage network named NeuroFluid. Our approach consists of (i) a particle-driven neural renderer, which involves fluid physical properties into the volume rendering function, and (ii) a particle transition model optimized to reduce the differences between the rendered and the observed images. NeuroFluid provides the first solution to unsupervised learning of particle-based fluid dynamics by training these two models jointly. It is shown to reasonably estimate the underlying physics of fluids with different initial shapes, viscosity, and densities. It is a potential alternative approach to understanding complex fluid mechanics, such as turbulence, that are difficult to model using traditional methods of mathematical physics.

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.

Graph representation learning resurges as a trending research subject owing to the widespread use of deep learning for Euclidean data, which inspire various creative designs of neural networks in the non-Euclidean domain, particularly graphs. With the success of these graph neural networks (GNN) in the static setting, we approach further practical scenarios where the graph dynamically evolves. Existing approaches typically resort to node embeddings and use a recurrent neural network (RNN, broadly speaking) to regulate the embeddings and learn the temporal dynamics. These methods require the knowledge of a node in the full time span (including both training and testing) and are less applicable to the frequent change of the node set. In some extreme scenarios, the node sets at different time steps may completely differ. To resolve this challenge, we propose EvolveGCN, which adapts the graph convolutional network (GCN) model along the temporal dimension without resorting to node embeddings. The proposed approach captures the dynamism of the graph sequence through using an RNN to evolve the GCN parameters. Two architectures are considered for the parameter evolution. We evaluate the proposed approach on tasks including link prediction, edge classification, and node classification. The experimental results indicate a generally higher performance of EvolveGCN compared with related approaches. The code is available at \url{//github.com/IBM/EvolveGCN}.

The design of deep graph models still remains to be investigated and the crucial part is how to explore and exploit the knowledge from different hops of neighbors in an efficient way. In this paper, we propose a novel RNN-like deep graph neural network architecture by incorporating AdaBoost into the computation of network; and the proposed graph convolutional network called AdaGCN~(AdaBoosting Graph Convolutional Network) has the ability to efficiently extract knowledge from high-order neighbors and integrate knowledge from different hops of neighbors into the network in an AdaBoost way. We also present the architectural difference between AdaGCN and existing graph convolutional methods to show the benefits of our proposal. Finally, extensive experiments demonstrate the state-of-the-art prediction performance and the computational advantage of our approach AdaGCN.

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.

Graph-based semi-supervised learning (SSL) is an important learning problem where the goal is to assign labels to initially unlabeled nodes in a graph. Graph Convolutional Networks (GCNs) have recently been shown to be effective for graph-based SSL problems. GCNs inherently assume existence of pairwise relationships in the graph-structured data. However, in many real-world problems, relationships go beyond pairwise connections and hence are more complex. Hypergraphs provide a natural modeling tool to capture such complex relationships. In this work, we explore the use of GCNs for hypergraph-based SSL. In particular, we propose HyperGCN, an SSL method which uses a layer-wise propagation rule for convolutional neural networks operating directly on hypergraphs. To the best of our knowledge, this is the first principled adaptation of GCNs to hypergraphs. HyperGCN is able to encode both the hypergraph structure and hypernode features in an effective manner. Through detailed experimentation, we demonstrate HyperGCN's effectiveness at hypergraph-based SSL.