Accurate prediction of project duration and cost remains one of the most challenging aspects of project management, particularly in resource-constrained and interdependent task networks. Traditional analytical techniques such as the Critical Path Method (CPM) and Program Evaluation and Review Technique (PERT) rely on simplified and often static assumptions regarding task interdependencies and resource performance. This study proposes a novel resource-based predictive framework that integrates network representations of project activities with graph neural networks (GNNs) to capture structural and contextual relationships among tasks, resources, and time-cost dynamics. The model represents the project as a heterogeneous activity-resource graph in which nodes denote activities and resources, and edges encode temporal and resource dependencies. We evaluate multiple learning paradigms, including GraphSAGE and Temporal Graph Networks, on both synthetic and benchmark project datasets. Experimental results show that the proposed GNN framework achieves an average 23 to 31 percent reduction in mean absolute error compared to traditional regression and tree-based methods, while improving the coefficient of determination R2 from approximately 0.78 to 0.91 for large and complex project networks. Furthermore, the learned embeddings provide interpretable insights into resource bottlenecks and critical dependencies, enabling more explainable and adaptive scheduling decisions.

Assuring the trustworthiness and safety of AI systems, e.g., autonomous vehicles (AV), depends critically on the data-related safety properties, e.g., representativeness, completeness, etc., of the datasets used for their training and testing. Among these properties, this paper focuses on representativeness-the extent to which the scenario-based data used for training and testing, reflect the operational conditions that the system is designed to operate safely in, i.e., Operational Design Domain (ODD) or expected to encounter, i.e., Target Operational Domain (TOD). We propose a probabilistic method that quantifies representativeness by comparing the statistical distribution of features encoded by the scenario suites with the corresponding distribution of features representing the TOD, acknowledging that the true TOD distribution is unknown, as it can only be inferred from limited data. We apply an imprecise Bayesian method to handle limited data and uncertain priors. The imprecise Bayesian formulation produces interval-valued, uncertainty-aware estimates of representativeness, rather than a single value. We present a numerical example comparing the distributions of the scenario suite and the inferred TOD across operational categories-weather, road type, time of day, etc., under dependencies and prior uncertainty. We estimate representativeness locally (between categories) and globally as an interval.

Diffusion and flow matching models have recently emerged as promising approaches for peptide binder design. Despite their progress, these models still face two major challenges. First, categorical sampling of discrete residue types collapses their continuous parameters into onehot assignments, while continuous variables (e.g., atom positions) evolve smoothly throughout the generation process. This mismatch disrupts the update dynamics and results in suboptimal performance. Second, current models assume unimodal distributions for side-chain torsion angles, which conflicts with the inherently multimodal nature of side chain rotameric states and limits prediction accuracy. To address these limitations, we introduce PepBFN, the first Bayesian flow network for full atom peptide design that directly models parameter distributions in fully continuous space. Specifically, PepBFN models discrete residue types by learning their continuous parameter distributions, enabling joint and smooth Bayesian updates with other continuous structural parameters. It further employs a novel Gaussian mixture based Bayesian flow to capture the multimodal side chain rotameric states and a Matrix Fisher based Riemannian flow to directly model residue orientations on the $\mathrm{SO}(3)$ manifold. Together, these parameter distributions are progressively refined via Bayesian updates, yielding smooth and coherent peptide generation. Experiments on side chain packing, reverse folding, and binder design tasks demonstrate the strong potential of PepBFN in computational peptide design.

Bayesian Optimization is critically vulnerable to extreme outliers. Existing provably robust methods typically assume a bounded cumulative corruption budget, which makes them defenseless against even a single corruption of sufficient magnitude. To address this, we introduce a new adversary whose budget is only bounded in the frequency of corruptions, not in their magnitude. We then derive RCGP-UCB, an algorithm coupling the famous upper confidence bound (UCB) approach with a Robust Conjugate Gaussian Process (RCGP). We present stable and adaptive versions of RCGP-UCB, and prove that they achieve sublinear regret in the presence of up to $O(T^{1/2})$ and $O(T^{1/3})$ corruptions with possibly infinite magnitude. This robustness comes at near zero cost: without outliers, RCGP-UCB's regret bounds match those of the standard GP-UCB algorithm.

Approaches based on point processes provide a principled statistical framework for modeling neural spiking activity.

However, training EBMs on data in discrete or mixed state spaces poses significant challenges due to the lack of robust and fast sampling methods. In this work, we propose to train discrete EBMs with Energy Discrepancy, a loss function which only requires the evaluation of the energy function at data points and their perturbed counterparts, thus eliminating the need for Markov chain Monte Carlo.

Specifically, we lay the foundation within the Bayesian framework.

Graphical models are widely used to compactly model the conditional interdependence among multiple random variables Lauritzen [1996] and Pearl [2009]. The vertices of the graph represent the random variables (RVs), while the edges encode the inter-dependence among the RVs. The complete structure of the graph is analytically captured by the joint probability distribution of the random variables. Graphical models offer effective and tractable solutions to various inferential and decision-making solutions in different domains, e.g., computer vision Won and Derin [1992], genetics Chen et al. [2013], Fang et al. [2016], Dobra et al. [2004], social networks Jacob et al. [2014], and power systems Dvijotham et al. [2017].

Recently, considerable research effort has been devoted to developing deep architectures for topic models to learn topic structures.