Multiscale simulations are indispensable for connecting microstructural features to the macroscopic behavior of polycrystalline materials, but their high computational demands limit their practicality. Deep material networks (DMNs) have been proposed as efficient surrogate models, yet they fall short of capturing texture evolution. To address this limitation, we propose the orientation-aware interaction-based deep material network (ODMN), which incorporates an orientation-aware mechanism and an interaction mechanism grounded in the Hill-Mandel principle. The orientation-aware mechanism learns the crystallographic textures, while the interaction mechanism captures stress-equilibrium directions among representative volume element (RVE) subregions, offering insight into internal microstructural mechanics. Notably, ODMN requires only linear elastic data for training yet generalizes effectively to complex nonlinear and anisotropic responses. Our results show that ODMN accurately predicts both mechanical responses and texture evolution under complex plastic deformation, thus expanding the applicability of DMNs to polycrystalline materials. By balancing computational efficiency with predictive fidelity, ODMN provides a robust framework for multiscale simulations of polycrystalline materials.

In this paper, we address the challenge of long-horizon visual planning tasks using Hierarchical Reinforcement Learning (HRL). Our key contribution is a Discrete Hierarchical Planning (DHP) method, an alternative to traditional distance-based approaches. We provide theoretical foundations for the method and demonstrate its effectiveness through extensive empirical evaluations. Our agent recursively predicts subgoals in the context of a long-term goal and receives discrete rewards for constructing plans as compositions of abstract actions. The method introduces a novel advantage estimation strategy for tree trajectories, which inherently encourages shorter plans and enables generalization beyond the maximum tree depth. The learned policy function allows the agent to plan efficiently, requiring only $\log N$ computational steps, making re-planning highly efficient. The agent, based on a soft-actor critic (SAC) framework, is trained using on-policy imagination data. Additionally, we propose a novel exploration strategy that enables the agent to generate relevant training examples for the planning modules. We evaluate our method on long-horizon visual planning tasks in a 25-room environment, where it significantly outperforms previous benchmarks at success rate and average episode length. Furthermore, an ablation study highlights the individual contributions of key modules to the overall performance.

We introduce an Ordinary Differential Equation (ODE) based deep generative method for learning a conditional distribution, named the Conditional Follmer Flow. Starting from a standard Gaussian distribution, the proposed flow could efficiently transform it into the target conditional distribution at time 1. For effective implementation, we discretize the flow with Euler's method where we estimate the velocity field nonparametrically using a deep neural network. Furthermore, we derive a non-asymptotic convergence rate in the Wasserstein distance between the distribution of the learned samples and the target distribution, providing the first comprehensive end-to-end error analysis for conditional distribution learning via ODE flow. Our numerical experiments showcase its effectiveness across a range of scenarios, from standard nonparametric conditional density estimation problems to more intricate challenges involving image data, illustrating its superiority over various existing conditional density estimation methods.

Clustering data into meaningful subsets is a major task in scientific data analysis. To date, various strategies ranging from model-based approaches to data-driven schemes, have been devised for efficient and accurate clustering. One important class of clustering methods that is of a particular interest is the class of exemplar-based approaches. This interest primarily stems from the amount of compressed information encoded in these exemplars that effectively reflect the major characteristics of the respective clusters. Affinity propagation (AP) has proven to be a powerful exemplar-based approach that refines the set of optimal exemplars by iterative pairwise message updates. However, a critical limitation is its inability to capitalize on known networked relations between data points often available for various scientific datasets. To mitigate this shortcoming, we propose geometric-AP, a novel clustering algorithm that effectively extends AP to take advantage of the network topology. Geometric-AP obeys network constraints and uses max-sum belief propagation to leverage the available network topology for generating smooth clusters over the network. Extensive performance assessment reveals a significant enhancement in the quality of the clustering results when compared to benchmark clustering schemes. Especially, we demonstrate that geometric-AP performs extremely well even in cases where the original AP fails drastically.

Local approximations are popular methods to scale Gaussian processes (GPs) to big data. Local approximations reduce time complexity by dividing the original dataset into subsets and training a local expert on each subset. Aggregating the experts' prediction is done assuming either conditional dependence or independence between the experts. Imposing the \emph{conditional independence assumption} (CI) between the experts renders the aggregation of different expert predictions time efficient at the cost of poor uncertainty quantification. On the other hand, modeling dependent experts can provide precise predictions and uncertainty quantification at the expense of impractically high computational costs. By eliminating weak experts via a theory-guided expert selection step, we substantially reduce the computational cost of aggregating dependent experts while ensuring calibrated uncertainty quantification. We leverage techniques from the literature on undirected graphical models, using sparse precision matrices that encode conditional dependencies between experts to select the most important experts. Moreov

This paper investigates the prospects of using directive explanations to assist people in achieving recourse of machine learning decisions. Directive explanations list which specific actions an individual needs to take to achieve their desired outcome. If a machine learning model makes a decision that is detrimental to an individual (e.g. denying a loan application), then it needs to both explain why it made that decision and also explain how the individual could obtain their desired outcome (if possible). At present, this is often done using counterfactual explanations, but such explanations generally do not tell individuals how to act. We assert that counterfactual explanations can be improved by explicitly providing people with actions they could use to achieve their desired goal. This paper makes two contributions. First, we present the results of an online study investigating people's perception of directive explanations. Second, we propose a conceptual model to generate such explanations. Our online study showed a significant preference for directive explanations ($p<0.001$). However, the participants' preferred explanation type was affected by multiple factors, such as individual preferences, social factors, and the feasibility of the directives. Our findings highlight the need for a human-centred and context-specific approach for creating directive explanations.

State-of-the-art performance and low system complexity has made deep-learning an increasingly attractive solution for big data analytics. However, limiting assumptions of end-to-end learning regimes hinder the use of neural networks on large application-grade datasets. This work addresses the assumption that output class-labels are defined for all classes in the domain. The amount of data collected by modern-day sensors span over an incomprehensible range of potential classes. Therefore, we propose a new learning regime where only some, but not all, classes of the training data are of interest to the classification system. The semi-supervised learning scenario in big data requires the assumption of a partial class mismatch between labelled and unlabelled training data. With classification systems required to classify source classes indicated by labelled samples while separating novel classes indicated by unlabelled samples, we find ourselves in an open-set case (vs closed set with only source classes). However, introducing samples from novel classes into the training set indicates a more relaxed open-set case. As such, our proposed regime of \textit{quasi-open set semi-supervised learning} is introduced. We propose a suitable method to train under quasi-open set semi-supervised learning that makes use of Wasserstein generative adversarial networks (WGANs). A trained classification certainty estimation within the discriminator (or critic) network is used to enable a reject option for the classifier. By placing a threshold on this certainty estimation, the reject option accepts classifications of source classes and rejects novel classes. Big data end-to-end training is promoted by developing models that recognize input samples do not necessarily belong to output labels. We believe this essential for big data analytics, and urge more work under quasi-open set semi-supervised learning.

Steady-state visual evoked potentials (SSVEP) brain-computer interface (BCI) provides reliable responses leading to high accuracy and information throughput. But achieving high accuracy typically requires a relatively long time window of one second or more. Various methods were proposed to improve sub-second response accuracy through subject-specific training and calibration. Substantial performance improvements were achieved with tedious calibration and subject-specific training; resulting in the user's discomfort. So, we propose a training-free method by combining spatial-filtering and temporal alignment (CSTA) to recognize SSVEP responses in sub-second response time. CSTA exploits linear correlation and non-linear similarity between steady-state responses and stimulus templates with complementary fusion to achieve desirable performance improvements. We evaluated the performance of CSTA in terms of accuracy and Information Transfer Rate (ITR) in comparison with both training-based and training-free methods using two SSVEP data-sets. We observed that CSTA achieves the maximum mean accuracy of 97.43$\pm$2.26 % and 85.71$\pm$13.41 % with four-class and forty-class SSVEP data-sets respectively in sub-second response time in offline analysis. CSTA yields significantly higher mean performance (p<0.001) than the training-free method on both data-sets. Compared with training-based methods, CSTA shows 29.33$\pm$19.65 % higher mean accuracy with statistically significant differences in time window less than 0.5 s. In longer time windows, CSTA exhibits either better or comparable performance though not statistically significantly better than training-based methods. We show that the proposed method brings advantages of subject-independent SSVEP classification without requiring training while enabling high target recognition performance in sub-second response time.