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Addressing the challenge of limited labeled data in clinical settings, particularly in the prediction of fatty liver disease, this study explores the potential of graph representation learning within a semi-supervised learning framework. Leveraging graph neural networks (GNNs), our approach constructs a subject similarity graph to identify risk patterns from health checkup data. The effectiveness of various GNN approaches in this context is demonstrated, even with minimal labeled samples. Central to our methodology is the inclusion of human-centric explanations through explainable GNNs, providing personalized feature importance scores for enhanced interpretability and clinical relevance, thereby underscoring the potential of our approach in advancing healthcare practices with a keen focus on graph representation learning and human-centric explanation.

Motivated by challenges in the analysis of biomedical data and observational studies, we develop statistical boosting for the general class of bivariate distributional copula regression with arbitrary marginal distributions, which is suited to model binary, count, continuous or mixed outcomes. In our framework, the joint distribution of arbitrary, bivariate responses is modelled through a parametric copula. To arrive at a model for the entire conditional distribution, not only the marginal distribution parameters but also the copula parameters are related to covariates through additive predictors. We suggest efficient and scalable estimation by means of an adapted component-wise gradient boosting algorithm with statistical models as base-learners. A key benefit of boosting as opposed to classical likelihood or Bayesian estimation is the implicit data-driven variable selection mechanism as well as shrinkage without additional input or assumptions from the analyst. To the best of our knowledge, our implementation is the only one that combines a wide range of covariate effects, marginal distributions, copula functions, and implicit data-driven variable selection. We showcase the versatility of our approach on data from genetic epidemiology, healthcare utilization and childhood undernutrition. Our developments are implemented in the R package gamboostLSS, fostering transparent and reproducible research.

Motivated by applications in production planning and storage allocation in hierarchical databases, we initiate the study of covering partially ordered items (CPO). Given a capacity $k \in \mathbb{Z}^+$, and a directed graph $G=(V,E)$ where each vertex has a size in $\{0,1, \ldots,k\}$, we seek a collection of subsets of vertices $S_1, \ldots, S_m$ that cover all the vertices, such that for any $1 \leq j \leq m$, the total size of vertices in $S_j$ is bounded by $k$, and there are no edges from $V \setminus S_j$ to $S_j$. The objective is to minimize the number of subsets $m$. CPO is closely related to the rule caching problem (RCP) that is of wide interest in the networking area. The input for RCP is a directed graph $G=(V,E)$, a profit function $p:V \rightarrow \mathbb{Z}_{0}^+$, and $k \in \mathbb{Z}^+$. The output is a subset $S \subseteq V$ of maximum profit such that $|S| \leq k$ and there are no edges from $V \setminus S$ to $S$. Our main result is a $2$-approximation algorithm for CPO on out-trees, complemented by an asymptotic $1.5$-hardness of approximation result. We also give a two-way reduction between RCP and the densest $k$-subhypergraph problem, surprisingly showing that the problems are equivalent w.r.t. polynomial-time approximation within any factor $\rho \geq 1$. This implies that RCP cannot be approximated within factor $|V|^{1-\eps}$ for any fixed $\eps>0$, under standard complexity assumptions. Prior to this work, RCP was just known to be strongly NP-hard. We further show that there is no EPTAS for the special case of RCP where the profits are uniform, assuming Gap-ETH. Since this variant admits a PTAS, we essentially resolve the complexity status of this problem.

Despite the importance of trust in human-AI interactions, researchers must adopt questionnaires from other disciplines that lack validation in the AI context. Motivated by the need for reliable and valid measures, we investigated the psychometric quality of two trust questionnaires, the Trust between People and Automation scale (TPA) by Jian et al. (2000) and the Trust Scale for the AI Context (TAI) by Hoffman et al. (2023). In a pre-registered online experiment (N = 1485), participants observed interactions with trustworthy and untrustworthy AI (autonomous vehicle and chatbot). Results support the psychometric quality of the TAI while revealing opportunities to improve the TPA, which we outline in our recommendations for using the two questionnaires. Furthermore, our findings provide additional empirical evidence of trust and distrust as two distinct constructs that may coexist independently. Building on our findings, we highlight the opportunities and added value of measuring both trust and distrust in human-AI research and advocate for further work on both constructs.

Understanding causality helps to structure interventions to achieve specific goals and enables predictions under interventions. With the growing importance of learning causal relationships, causal discovery tasks have transitioned from using traditional methods to infer potential causal structures from observational data to the field of pattern recognition involved in deep learning. The rapid accumulation of massive data promotes the emergence of causal search methods with brilliant scalability. Existing summaries of causal discovery methods mainly focus on traditional methods based on constraints, scores and FCMs, there is a lack of perfect sorting and elaboration for deep learning-based methods, also lacking some considers and exploration of causal discovery methods from the perspective of variable paradigms. Therefore, we divide the possible causal discovery tasks into three types according to the variable paradigm and give the definitions of the three tasks respectively, define and instantiate the relevant datasets for each task and the final causal model constructed at the same time, then reviews the main existing causal discovery methods for different tasks. Finally, we propose some roadmaps from different perspectives for the current research gaps in the field of causal discovery and point out future research directions.

Due to their increasing spread, confidence in neural network predictions became more and more important. However, basic neural networks do not deliver certainty estimates or suffer from over or under confidence. Many researchers have been working on understanding and quantifying uncertainty in a neural network's prediction. As a result, different types and sources of uncertainty have been identified and a variety of approaches to measure and quantify uncertainty in neural networks have been proposed. This work gives a comprehensive overview of uncertainty estimation in neural networks, reviews recent advances in the field, highlights current challenges, and identifies potential research opportunities. It is intended to give anyone interested in uncertainty estimation in neural networks a broad overview and introduction, without presupposing prior knowledge in this field. A comprehensive introduction to the most crucial sources of uncertainty is given and their separation into reducible model uncertainty and not reducible data uncertainty is presented. The modeling of these uncertainties based on deterministic neural networks, Bayesian neural networks, ensemble of neural networks, and test-time data augmentation approaches is introduced and different branches of these fields as well as the latest developments are discussed. For a practical application, we discuss different measures of uncertainty, approaches for the calibration of neural networks and give an overview of existing baselines and implementations. Different examples from the wide spectrum of challenges in different fields give an idea of the needs and challenges regarding uncertainties in practical applications. Additionally, the practical limitations of current methods for mission- and safety-critical real world applications are discussed and an outlook on the next steps towards a broader usage of such methods is given.

Drug-drug interaction(DDI) prediction is an important task in the medical health machine learning community. This study presents a new method, multi-view graph contrastive representation learning for drug-drug interaction prediction, MIRACLE for brevity, to capture inter-view molecule structure and intra-view interactions between molecules simultaneously. MIRACLE treats a DDI network as a multi-view graph where each node in the interaction graph itself is a drug molecular graph instance. We use GCNs and bond-aware attentive message passing networks to encode DDI relationships and drug molecular graphs in the MIRACLE learning stage, respectively. Also, we propose a novel unsupervised contrastive learning component to balance and integrate the multi-view information. Comprehensive experiments on multiple real datasets show that MIRACLE outperforms the state-of-the-art DDI prediction models consistently.

Human doctors with well-structured medical knowledge can diagnose a disease merely via a few conversations with patients about symptoms. In contrast, existing knowledge-grounded dialogue systems often require a large number of dialogue instances to learn as they fail to capture the correlations between different diseases and neglect the diagnostic experience shared among them. To address this issue, we propose a more natural and practical paradigm, i.e., low-resource medical dialogue generation, which can transfer the diagnostic experience from source diseases to target ones with a handful of data for adaptation. It is capitalized on a commonsense knowledge graph to characterize the prior disease-symptom relations. Besides, we develop a Graph-Evolving Meta-Learning (GEML) framework that learns to evolve the commonsense graph for reasoning disease-symptom correlations in a new disease, which effectively alleviates the needs of a large number of dialogues. More importantly, by dynamically evolving disease-symptom graphs, GEML also well addresses the real-world challenges that the disease-symptom correlations of each disease may vary or evolve along with more diagnostic cases. Extensive experiment results on the CMDD dataset and our newly-collected Chunyu dataset testify the superiority of our approach over state-of-the-art approaches. Besides, our GEML can generate an enriched dialogue-sensitive knowledge graph in an online manner, which could benefit other tasks grounded on knowledge graph.

Ensembles over neural network weights trained from different random initialization, known as deep ensembles, achieve state-of-the-art accuracy and calibration. The recently introduced batch ensembles provide a drop-in replacement that is more parameter efficient. In this paper, we design ensembles not only over weights, but over hyperparameters to improve the state of the art in both settings. For best performance independent of budget, we propose hyper-deep ensembles, a simple procedure that involves a random search over different hyperparameters, themselves stratified across multiple random initializations. Its strong performance highlights the benefit of combining models with both weight and hyperparameter diversity. We further propose a parameter efficient version, hyper-batch ensembles, which builds on the layer structure of batch ensembles and self-tuning networks. The computational and memory costs of our method are notably lower than typical ensembles. On image classification tasks, with MLP, LeNet, and Wide ResNet 28-10 architectures, our methodology improves upon both deep and batch ensembles.

In this paper, we propose the joint learning attention and recurrent neural network (RNN) models for multi-label classification. While approaches based on the use of either model exist (e.g., for the task of image captioning), training such existing network architectures typically require pre-defined label sequences. For multi-label classification, it would be desirable to have a robust inference process, so that the prediction error would not propagate and thus affect the performance. Our proposed model uniquely integrates attention and Long Short Term Memory (LSTM) models, which not only addresses the above problem but also allows one to identify visual objects of interests with varying sizes without the prior knowledge of particular label ordering. More importantly, label co-occurrence information can be jointly exploited by our LSTM model. Finally, by advancing the technique of beam search, prediction of multiple labels can be efficiently achieved by our proposed network model.