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Partial differential equations (PDEs) are crucial in modelling diverse phenomena across scientific disciplines, including seismic and medical imaging, computational fluid dynamics, image processing, and neural networks. Solving these PDEs on a large scale is an intricate and time-intensive process that demands careful tuning. This paper introduces automated code-generation techniques specifically tailored for distributed memory parallelism (DMP) to solve explicit finite-difference (FD) stencils at scale, a fundamental challenge in numerous scientific applications. These techniques are implemented and integrated into the Devito DSL and compiler framework, a well-established solution for automating the generation of FD solvers based on a high-level symbolic math input. Users benefit from modelling simulations at a high-level symbolic abstraction and effortlessly harnessing HPC-ready distributed-memory parallelism without altering their source code. This results in drastic reductions both in execution time and developer effort. While the contributions of this work are implemented and integrated within the Devito framework, the DMP concepts and the techniques applied are generally applicable to any FD solvers. A comprehensive performance evaluation of Devito's DMP via MPI demonstrates highly competitive weak and strong scaling on the Archer2 supercomputer, demonstrating the effectiveness of the proposed approach in meeting the demands of large-scale scientific simulations.

The field of explainable artificial intelligence emerged in response to the growing need for more transparent and reliable models. However, using raw features to provide explanations has been disputed in several works lately, advocating for more user-understandable explanations. To address this issue, a wide range of papers proposing Concept-based eXplainable Artificial Intelligence (C-XAI) methods have arisen in recent years. Nevertheless, a unified categorization and precise field definition are still missing. This paper fills the gap by offering a thorough review of C-XAI approaches. We define and identify different concepts and explanation types. We provide a taxonomy identifying nine categories and propose guidelines for selecting a suitable category based on the development context. Additionally, we report common evaluation strategies including metrics, human evaluations and dataset employed, aiming to assist the development of future methods. We believe this survey will serve researchers, practitioners, and domain experts in comprehending and advancing this innovative field.

Detection and identification of emitters provide vital information for defensive strategies in electronic intelligence. Based on a received signal containing pulses from an unknown number of emitters, this paper introduces an unsupervised methodology for deinterleaving RADAR signals based on a combination of clustering algorithms and optimal transport distances. The first step involves separating the pulses with a clustering algorithm under the constraint that the pulses of two different emitters cannot belong to the same cluster. Then, as the emitters exhibit complex behavior and can be represented by several clusters, we propose a hierarchical clustering algorithm based on an optimal transport distance to merge these clusters. A variant is also developed, capable of handling more complex signals. Finally, the proposed methodology is evaluated on simulated data provided through a realistic simulator. Results show that the proposed methods are capable of deinterleaving complex RADAR signals.

Recent research has demonstrated the efficacy of pre-training graph neural networks (GNNs) to capture the transferable graph semantics and enhance the performance of various downstream tasks. However, the semantic knowledge learned from pretext tasks might be unrelated to the downstream task, leading to a semantic gap that limits the application of graph pre-training. To reduce this gap, traditional approaches propose hybrid pre-training to combine various pretext tasks together in a multi-task learning fashion and learn multi-grained knowledge, which, however, cannot distinguish tasks and results in some transferable task-specific knowledge distortion by each other. Moreover, most GNNs cannot distinguish nodes located in different parts of the graph, making them fail to learn position-specific knowledge and lead to suboptimal performance. In this work, inspired by the prompt-based tuning in natural language processing, we propose a unified framework for graph hybrid pre-training which injects the task identification and position identification into GNNs through a prompt mechanism, namely multi-task graph dual prompt (ULTRA-DP). Based on this framework, we propose a prompt-based transferability test to find the most relevant pretext task in order to reduce the semantic gap. To implement the hybrid pre-training tasks, beyond the classical edge prediction task (node-node level), we further propose a novel pre-training paradigm based on a group of $k$-nearest neighbors (node-group level). The combination of them across different scales is able to comprehensively express more structural semantics and derive richer multi-grained knowledge. Extensive experiments show that our proposed ULTRA-DP can significantly enhance the performance of hybrid pre-training methods and show the generalizability to other pre-training tasks and backbone architectures.

Generative models inspired by dynamical transport of measure -- such as flows and diffusions -- construct a continuous-time map between two probability densities. Conventionally, one of these is the target density, only accessible through samples, while the other is taken as a simple base density that is data-agnostic. In this work, using the framework of stochastic interpolants, we formalize how to \textit{couple} the base and the target densities, whereby samples from the base are computed conditionally given samples from the target in a way that is different from (but does preclude) incorporating information about class labels or continuous embeddings. This enables us to construct dynamical transport maps that serve as conditional generative models. We show that these transport maps can be learned by solving a simple square loss regression problem analogous to the standard independent setting. We demonstrate the usefulness of constructing dependent couplings in practice through experiments in super-resolution and in-painting.

Physics-informed neural networks (PINNs) are a powerful approach for solving problems involving differential equations, yet they often struggle to solve problems with high frequency and/or multi-scale solutions. Finite basis physics-informed neural networks (FBPINNs) improve the performance of PINNs in this regime by combining them with an overlapping domain decomposition approach. In this work, FBPINNs are extended by adding multiple levels of domain decompositions to their solution ansatz, inspired by classical multilevel Schwarz domain decomposition methods (DDMs). Analogous to typical tests for classical DDMs, we assess how the accuracy of PINNs, FBPINNs and multilevel FBPINNs scale with respect to computational effort and solution complexity by carrying out strong and weak scaling tests. Our numerical results show that the proposed multilevel FBPINNs consistently and significantly outperform PINNs across a range of problems with high frequency and multi-scale solutions. Furthermore, as expected in classical DDMs, we show that multilevel FBPINNs improve the accuracy of FBPINNs when using large numbers of subdomains by aiding global communication between subdomains.

Inferring causation from time series data is of scientific interest in different disciplines, particularly in neural connectomics. While different approaches exist in the literature with parametric modeling assumptions, we focus on a non-parametric model for time series satisfying a Markovian structural causal model with stationary distribution and without concurrent effects. We show that the model structure can be used to its advantage to obtain an elegant algorithm for causal inference from time series based on conditional dependence tests, coined Causal Inference in Time Series (CITS) algorithm. We describe Pearson's partial correlation and Hilbert-Schmidt criterion as candidates for such conditional dependence tests that can be used in CITS for the Gaussian and non-Gaussian settings, respectively. We prove the mathematical guarantee of the CITS algorithm in recovering the true causal graph, under standard mixing conditions on the underlying time series. We also conduct a comparative evaluation of performance of CITS with other existing methodologies in simulated datasets. We then describe the utlity of the methodology in neural connectomics -- in inferring causal functional connectivity from time series of neural activity, and demonstrate its application to a real neurobiological dataset of electro-physiological recordings from the mouse visual cortex recorded by Neuropixel probes.

Bayesian statistics has two common measures of central tendency of a posterior distribution: posterior means and Maximum A Posteriori (MAP) estimates. In this paper, we discuss a connection between MAP estimates and posterior means. We derive an asymptotic condition for a pair of prior densities under which the posterior mean based on one prior coincides with the MAP estimate based on the other prior. A sufficient condition for the existence of this prior pair relates to $\alpha$-flatness of the statistical model in information geometry. We also construct a matching prior pair using $\alpha$-parallel priors. Our result elucidates an interesting connection between regularization in generalized linear regression models and posterior expectation.

Unsupervised person re-identification (Re-ID) attracts increasing attention due to its potential to resolve the scalability problem of supervised Re-ID models. Most existing unsupervised methods adopt an iterative clustering mechanism, where the network was trained based on pseudo labels generated by unsupervised clustering. However, clustering errors are inevitable. To generate high-quality pseudo-labels and mitigate the impact of clustering errors, we propose a novel clustering relationship modeling framework for unsupervised person Re-ID. Specifically, before clustering, the relation between unlabeled images is explored based on a graph correlation learning (GCL) module and the refined features are then used for clustering to generate high-quality pseudo-labels.Thus, GCL adaptively mines the relationship between samples in a mini-batch to reduce the impact of abnormal clustering when training. To train the network more effectively, we further propose a selective contrastive learning (SCL) method with a selective memory bank update policy. Extensive experiments demonstrate that our method shows much better results than most state-of-the-art unsupervised methods on Market1501, DukeMTMC-reID and MSMT17 datasets. We will release the code for model reproduction.

Artificial neural networks thrive in solving the classification problem for a particular rigid task, acquiring knowledge through generalized learning behaviour from a distinct training phase. The resulting network resembles a static entity of knowledge, with endeavours to extend this knowledge without targeting the original task resulting in a catastrophic forgetting. Continual learning shifts this paradigm towards networks that can continually accumulate knowledge over different tasks without the need to retrain from scratch. We focus on task incremental classification, where tasks arrive sequentially and are delineated by clear boundaries. Our main contributions concern 1) a taxonomy and extensive overview of the state-of-the-art, 2) a novel framework to continually determine the stability-plasticity trade-off of the continual learner, 3) a comprehensive experimental comparison of 11 state-of-the-art continual learning methods and 4 baselines. We empirically scrutinize method strengths and weaknesses on three benchmarks, considering Tiny Imagenet and large-scale unbalanced iNaturalist and a sequence of recognition datasets. We study the influence of model capacity, weight decay and dropout regularization, and the order in which the tasks are presented, and qualitatively compare methods in terms of required memory, computation time, and storage.