Graph neural networks (GNNs) excel in graph representation learning by integrating graph structure and node features. Existing GNNs, unfortunately, fail to account for the uncertainty of class probabilities that vary with the depth of the model, leading to unreliable and risky predictions in real-world scenarios. To bridge the gap, in this paper, we propose a novel Evidence Fusing Graph Neural Network (EFGNN for short) to achieve trustworthy prediction, enhance node classification accuracy, and make explicit the risk of wrong predictions. In particular, we integrate the evidence theory with multi-hop propagation-based GNN architecture to quantify the prediction uncertainty of each node with the consideration of multiple receptive fields. Moreover, a parameter-free cumulative belief fusion (CBF) mechanism is developed to leverage the changes in prediction uncertainty and fuse the evidence to improve the trustworthiness of the final prediction. To effectively optimize the EFGNN model, we carefully design a joint learning objective composed of evidence cross-entropy, dissonance coefficient, and false confident penalty. The experimental results on various datasets and theoretical analyses demonstrate the effectiveness of the proposed model in terms of accuracy and trustworthiness, as well as its robustness to potential attacks. The source code of EFGNN is available at https://github.com/Shiy-Li/EFGNN.

Fair clustering has become a socially significant task with the advancement of machine learning technologies and the growing demand for trustworthy AI. Group fairness ensures that the proportions of each sensitive group are similar in all clusters. Most existing group-fair clustering methods are based on the $K$-means clustering and thus require the distance between instances and the number of clusters to be given in advance. To resolve this limitation, we propose a fair Bayesian model-based clustering called Fair Bayesian Clustering (FBC). We develop a specially designed prior which puts its mass only on fair clusters, and implement an efficient MCMC algorithm. Advantages of FBC are that it can infer the number of clusters and can be applied to any data type as long as the likelihood is defined (e.g., categorical data). Experiments on real-world datasets show that FBC (i) reasonably infers the number of clusters, (ii) achieves a competitive utility-fairness trade-off compared to existing fair clustering methods, and (iii) performs well on categorical data.

ADMM is a popular method for federated deep learning which originated in the 1970s and, even though many new variants of it have been proposed since then, its core algorithmic structure has remained unchanged. Here, we take a major departure from the old structure and present a fundamentally new way to derive and extend federated ADMM. We propose to use a structure called Bayesian Duality which exploits a duality of the posterior distributions obtained by solving a variational-Bayesian reformulation of the original problem. We show that this naturally recovers the original ADMM when isotropic Gaussian posteriors are used, and yields non-trivial extensions for other posterior forms. For instance, full-covariance Gaussians lead to Newton-like variants of ADMM, while diagonal covariances result in a cheap Adam-like variant. This is especially useful to handle heterogeneity in federated deep learning, giving up to 7% accuracy improvements over recent baselines. Our work opens a new Bayesian path to improve primal-dual methods.

Recent advances in diffusion models have revolutionized generative AI, but their sheer size makes on device personalization, and thus effective federated learning (FL), infeasible. We propose Shared Backbone Personal Identity Representation Embeddings (SPIRE), a framework that casts per client diffusion based generation as conditional generation in FL. SPIRE factorizes the network into (i) a high capacity global backbone that learns a population level score function and (ii) lightweight, learnable client embeddings that encode local data statistics. This separation enables parameter efficient finetuning that touches $\leq 0.01\%$ of weights. We provide the first theoretical bridge between conditional diffusion training and maximum likelihood estimation in Gaussian mixture models. For a two component mixture we prove that gradient descent on the DDPM with respect to mixing weights loss recovers the optimal mixing weights and enjoys dimension free error bounds. Our analysis also hints at how client embeddings act as biases that steer a shared score network toward personalized distributions. Empirically, SPIRE matches or surpasses strong baselines during collaborative pretraining, and vastly outperforms them when adapting to unseen clients, reducing Kernel Inception Distance while updating only hundreds of parameters. SPIRE further mitigates catastrophic forgetting and remains robust across finetuning learning rate and epoch choices.

The Maximum Cut (MaxCut) problem is NP-Complete, and obtaining its optimal solution is NP-hard in the worst case. As a result, heuristic-based algorithms are commonly used, though their design often requires significant domain expertise. More recently, learning-based methods trained on large (un)labeled datasets have been proposed; however, these approaches often struggle with generalizability and scalability. A well-known approximation algorithm for MaxCut is the Goemans-Williamson (GW) algorithm, which relaxes the Quadratic Unconstrained Binary Optimization (QUBO) formulation into a semidefinite program (SDP). The GW algorithm then applies hyperplane rounding by uniformly sampling a random hyperplane to convert the SDP solution into binary node assignments. In this paper, we propose a training-data-free approach based on a non-episodic reinforcement learning formulation, in which an agent learns to select improved rounding hyperplanes that yield better cuts than those produced by the GW algorithm. By optimizing over a Markov Decision Process (MDP), our method consistently achieves better cuts across large-scale graphs with varying densities and degree distributions.

The emergence of online social platforms, such as social networks and social media, has drastically affected the way people apprehend the information flows to which they are exposed. In such platforms, various information cascades spreading among users is the main force creating complex dynamics of opinion formation, each user being characterized by their own behavior adoption mechanism. Moreover, the spread of multiple pieces of information or beliefs in a networked population is rarely uncorrelated. In this paper, we introduce the Mixture of Interacting Cascades (MIC), a model of marked multidimensional Hawkes processes with the capacity to model jointly non-trivial interaction between cascades and users. We emphasize on the interplay between information cascades and user activity, and use a mixture of temporal point processes to build a coupled user/cascade point process model. Experiments on synthetic and real data highlight the benefits of this approach and demonstrate that MIC achieves superior performance to existing methods in modeling the spread of information cascades. Finally, we demonstrate how MIC can provide, through its learned parameters, insightful bi-layered visualizations of real social network activity data.

In the past decades, machine learning with Empirical Risk Minimization (ERM) has demonstrated great capability in learning and exploiting the statistical patterns from data, or even surpassing humans. Despite the success, ERM avoids the modeling of causality the way of understanding and handling changes, which is fundamental to human intelligence. When deploying models beyond the training environment, distribution shifts are everywhere. For example, an autopilot system often needs to deal with new weather conditions that have not been seen during training, An Al-aided drug discovery system needs to predict the biochemical properties of molecules with respect to new viruses such as COVID-19. It renders the problem of Out-of-Distribution (OOD) generalization challenging to conventional machine learning. In this thesis, we investigate how to incorporate and realize the causality for broader tasks in modern machine learning. In particular, we exploit the invariance implied by the principle of independent causal mechanisms (ICM), that is, the causal mechanisms generating the effects from causes do not inform or influence each other. Therefore, the conditional distribution between the target variable given its causes is invariant under distribution shifts. With the causal invariance principle, we first instantiate it to graphs -- a general data structure ubiquitous in many real-world industry and scientific applications, such as financial networks and molecules. Then, we shall see how learning the causality benefits many of the desirable properties of modern machine learning, in terms of (i) OOD generalization capability; (ii) interpretability; and (iii) robustness to adversarial attacks. Realizing the causality in machine learning, on the other hand, raises a dilemma for optimization in conventional machine learning, as it often contradicts the objective of ERM...

Given trajectory data, a domain-specific study area, and a user-defined threshold, we aim to find anomalous trajectories indicative of possible GPS spoofing (e.g., fake trajectory). The problem is societally important to curb illegal activities in international waters, such as unauthorized fishing and illicit oil transfers. The problem is challenging due to advances in AI generated in deep fakes generation (e.g., additive noise, fake trajectories) and lack of adequate amount of labeled samples for ground-truth verification. Recent literature shows promising results for anomalous trajectory detection using generative models despite data sparsity. However, they do not consider fine-scale spatiotemporal dependencies and prior physical knowledge, resulting in higher false-positive rates. To address these limitations, we propose a physics-informed diffusion model that integrates kinematic constraints to identify trajectories that do not adhere to physical laws. Experimental results on real-world datasets in the maritime and urban domains show that the proposed framework results in higher prediction accuracy and lower estimation error rate for anomaly detection and trajectory generation methods, respectively. Our implementation is available at https://github.com/arunshar/Physics-Informed-Diffusion-Probabilistic-Model.

We propose Network Automatic Relevance Determination (NARD), an extension of ARD for linearly probabilistic models, to simultaneously model sparse relationships between inputs $X \in \mathbb R^{d \times N}$ and outputs $Y \in \mathbb R^{m \times N}$, while capturing the correlation structure among the $Y$. NARD employs a matrix normal prior which contains a sparsity-inducing parameter to identify and discard irrelevant features, thereby promoting sparsity in the model. Algorithmically, it iteratively updates both the precision matrix and the relationship between $Y$ and the refined inputs. To mitigate the computational inefficiencies of the $\mathcal O(m^3 + d^3)$ cost per iteration, we introduce Sequential NARD, which evaluates features sequentially, and a Surrogate Function Method, leveraging an efficient approximation of the marginal likelihood and simplifying the calculation of determinant and inverse of an intermediate matrix. Combining the Sequential update with the Surrogate Function method further reduces computational costs. The computational complexity per iteration for these three methods is reduced to $\mathcal O(m^3+p^3)$, $\mathcal O(m^3 + d^2)$, $\mathcal O(m^3+p^2)$, respectively, where $p \ll d$ is the final number of features in the model. Our methods demonstrate significant improvements in computational efficiency with comparable performance on both synthetic and real-world datasets.

Causal discovery (CD) plays a pivotal role in understanding the mechanisms underlying complex systems. While recent algorithms can detect spurious associations and latent confounding, many struggle to recover fairness-relevant pathways in realistic, noisy settings. Large Language Models (LLMs), with their access to broad semantic knowledge, offer a promising complement to statistical CD approaches, particularly in domains where metadata provides meaningful relational cues. Ensuring fairness in machine learning requires understanding how sensitive attributes causally influence outcomes, yet CD methods often introduce spurious or biased pathways. We propose a hybrid LLM-based framework for CD that extends a breadth-first search (BFS) strategy with active learning and dynamic scoring. Variable pairs are prioritized for LLM-based querying using a composite score based on mutual information, partial correlation, and LLM confidence, improving discovery efficiency and robustness. To evaluate fairness sensitivity, we construct a semi-synthetic benchmark from the UCI Adult dataset, embedding a domain-informed causal graph with injected noise, label corruption, and latent confounding. We assess how well CD methods recover both global structure and fairness-critical paths. Our results show that LLM-guided methods, including the proposed method, demonstrate competitive or superior performance in recovering such pathways under noisy conditions. We highlight when dynamic scoring and active querying are most beneficial and discuss implications for bias auditing in real-world datasets.