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Multiphysics incompressible fluid dynamics simulations play a crucial role in understanding intricate behaviors of many complex engineering systems that involve interactions between solids, fluids, and various phases like liquid and gas. Numerical modeling of these interactions has generated significant research interest in recent decades and has led to the development of open source simulation tools and commercial software products targeting specific applications or general problem classes in computational fluid dynamics. As the demand increases for these simulations to adapt to platform heterogeneity, ensure composability between different physics models, and effectively utilize inheritance within partial differentiation systems, a fundamental reconsideration of numerical solver design becomes imperative. The discussion presented in this paper emphasizes the importance of these considerations and introduces the Flash-X approach as a potential solution. The software design strategies outlined in the article serve as a guide for Flash-X developers, providing insights into complexities associated with performance portability, composability, and sustainable development. These strategies provide a foundation for improving design of both new and existing simulation tools grappling with these challenges. By incorporating the principles outlined in the Flash-X approach, engineers and researchers can enhance the adaptability, efficiency, and overall effectiveness of their numerical solvers in the ever-evolving field of multiphysics simulations.

We consider optimal experimental design (OED) for nonlinear Bayesian inverse problems governed by large-scale partial differential equations (PDEs). For the optimality criteria of Bayesian OED, we consider both expected information gain and summary statistics including the trace and determinant of the information matrix that involves the evaluation of the parameter-to-observable (PtO) map and its derivatives. However, it is prohibitive to compute and optimize these criteria when the PDEs are very expensive to solve, the parameters to estimate are high-dimensional, and the optimization problem is combinatorial, high-dimensional, and non-convex. To address these challenges, we develop an accurate, scalable, and efficient computational framework to accelerate the solution of Bayesian OED. In particular, the framework is developed based on derivative-informed neural operator (DINO) surrogates with proper dimension reduction techniques and a modified swapping greedy algorithm. We demonstrate the high accuracy of the DINO surrogates in the computation of the PtO map and the optimality criteria compared to high-fidelity finite element approximations. We also show that the proposed method is scalable with increasing parameter dimensions. Moreover, we demonstrate that it achieves high efficiency with over 1000X speedup compared to a high-fidelity Bayesian OED solution for a three-dimensional PDE example with tens of thousands of parameters, including both online evaluation and offline construction costs of the surrogates.

Despite the remarkable progress facilitated by learning-based stereo-matching algorithms, the performance in the ill-conditioned regions, such as the occluded regions, remains a bottleneck. Due to the limited receptive field, existing CNN-based methods struggle to handle these ill-conditioned regions effectively. To address this issue, this paper introduces a novel attention-based stereo-matching network called Global Occlusion-Aware Transformer (GOAT) to exploit long-range dependency and occlusion-awareness global context for disparity estimation. In the GOAT architecture, a parallel disparity and occlusion estimation module PDO is proposed to estimate the initial disparity map and the occlusion mask using a parallel attention mechanism. To further enhance the disparity estimates in the occluded regions, an occlusion-aware global aggregation module (OGA) is proposed. This module aims to refine the disparity in the occluded regions by leveraging restricted global correlation within the focus scope of the occluded areas. Extensive experiments were conducted on several public benchmark datasets including SceneFlow, KITTI 2015, and Middlebury. The results show that the proposed GOAT demonstrates outstanding performance among all benchmarks, particularly in the occluded regions.

Humans perceive the world by concurrently processing and fusing high-dimensional inputs from multiple modalities such as vision and audio. Machine perception models, in stark contrast, are typically modality-specific and optimised for unimodal benchmarks, and hence late-stage fusion of final representations or predictions from each modality (`late-fusion') is still a dominant paradigm for multimodal video classification. Instead, we introduce a novel transformer based architecture that uses `fusion bottlenecks' for modality fusion at multiple layers. Compared to traditional pairwise self-attention, our model forces information between different modalities to pass through a small number of bottleneck latents, requiring the model to collate and condense the most relevant information in each modality and only share what is necessary. We find that such a strategy improves fusion performance, at the same time reducing computational cost. We conduct thorough ablation studies, and achieve state-of-the-art results on multiple audio-visual classification benchmarks including Audioset, Epic-Kitchens and VGGSound. All code and models will be released.

The accurate and interpretable prediction of future events in time-series data often requires the capturing of representative patterns (or referred to as states) underpinning the observed data. To this end, most existing studies focus on the representation and recognition of states, but ignore the changing transitional relations among them. In this paper, we present evolutionary state graph, a dynamic graph structure designed to systematically represent the evolving relations (edges) among states (nodes) along time. We conduct analysis on the dynamic graphs constructed from the time-series data and show that changes on the graph structures (e.g., edges connecting certain state nodes) can inform the occurrences of events (i.e., time-series fluctuation). Inspired by this, we propose a novel graph neural network model, Evolutionary State Graph Network (EvoNet), to encode the evolutionary state graph for accurate and interpretable time-series event prediction. Specifically, Evolutionary State Graph Network models both the node-level (state-to-state) and graph-level (segment-to-segment) propagation, and captures the node-graph (state-to-segment) interactions over time. Experimental results based on five real-world datasets show that our approach not only achieves clear improvements compared with 11 baselines, but also provides more insights towards explaining the results of event predictions.

We introduce "talking-heads attention" - a variation on multi-head attention which includes linearprojections across the attention-heads dimension, immediately before and after the softmax operation.While inserting only a small number of additional parameters and a moderate amount of additionalcomputation, talking-heads attention leads to better perplexities on masked language modeling tasks, aswell as better quality when transfer-learning to language comprehension and question answering tasks.

The demand for artificial intelligence has grown significantly over the last decade and this growth has been fueled by advances in machine learning techniques and the ability to leverage hardware acceleration. However, in order to increase the quality of predictions and render machine learning solutions feasible for more complex applications, a substantial amount of training data is required. Although small machine learning models can be trained with modest amounts of data, the input for training larger models such as neural networks grows exponentially with the number of parameters. Since the demand for processing training data has outpaced the increase in computation power of computing machinery, there is a need for distributing the machine learning workload across multiple machines, and turning the centralized into a distributed system. These distributed systems present new challenges, first and foremost the efficient parallelization of the training process and the creation of a coherent model. This article provides an extensive overview of the current state-of-the-art in the field by outlining the challenges and opportunities of distributed machine learning over conventional (centralized) machine learning, discussing the techniques used for distributed machine learning, and providing an overview of the systems that are available.

Image-to-image translation aims to learn the mapping between two visual domains. There are two main challenges for many applications: 1) the lack of aligned training pairs and 2) multiple possible outputs from a single input image. In this work, we present an approach based on disentangled representation for producing diverse outputs without paired training images. To achieve diversity, we propose to embed images onto two spaces: a domain-invariant content space capturing shared information across domains and a domain-specific attribute space. Our model takes the encoded content features extracted from a given input and the attribute vectors sampled from the attribute space to produce diverse outputs at test time. To handle unpaired training data, we introduce a novel cross-cycle consistency loss based on disentangled representations. Qualitative results show that our model can generate diverse and realistic images on a wide range of tasks without paired training data. For quantitative comparisons, we measure realism with user study and diversity with a perceptual distance metric. We apply the proposed model to domain adaptation and show competitive performance when compared to the state-of-the-art on the MNIST-M and the LineMod datasets.

State-of-the-art recommendation algorithms -- especially the collaborative filtering (CF) based approaches with shallow or deep models -- usually work with various unstructured information sources for recommendation, such as textual reviews, visual images, and various implicit or explicit feedbacks. Though structured knowledge bases were considered in content-based approaches, they have been largely neglected recently due to the availability of vast amount of data, and the learning power of many complex models. However, structured knowledge bases exhibit unique advantages in personalized recommendation systems. When the explicit knowledge about users and items is considered for recommendation, the system could provide highly customized recommendations based on users' historical behaviors. A great challenge for using knowledge bases for recommendation is how to integrated large-scale structured and unstructured data, while taking advantage of collaborative filtering for highly accurate performance. Recent achievements on knowledge base embedding sheds light on this problem, which makes it possible to learn user and item representations while preserving the structure of their relationship with external knowledge. In this work, we propose to reason over knowledge base embeddings for personalized recommendation. Specifically, we propose a knowledge base representation learning approach to embed heterogeneous entities for recommendation. Experimental results on real-world dataset verified the superior performance of our approach compared with state-of-the-art baselines.

Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis.