Model-based diagnosis has been an active research topic in different communities including artificial intelligence, formal methods, and control. This has led to a set of disparate approaches addressing different classes of systems and seeking different forms of diagnoses. In this paper, we resolve such disparities by generalising Reiter's theory to be agnostic to the types of systems and diagnoses considered. This more general theory of diagnosis from first principles defines the minimal diagnosis as the set of preferred diagnosis candidates in a search space of hypotheses. Computing the minimal diagnosis is achieved by exploring the space of diagnosis hypotheses, testing sets of hypotheses for consistency with the system's model and the observation, and generating conflicts that rule out successors and other portions of the search space. Under relatively mild assumptions, our algorithms correctly compute the set of preferred diagnosis candidates. The main difficulty here is that the search space is no longer a powerset as in Reiter's theory, and that, as consequence, many of the implicit properties (such as finiteness of the search space) no longer hold. The notion of conflict also needs to be generalised and we present such a more general notion. We present two implementations of these algorithms, using test solvers based on satisfiability and heuristic search, respectively, which we evaluate on instances from two real world discrete event problems. Despite the greater generality of our theory, these implementations surpass the special purpose algorithms designed for discrete event systems, and enable solving instances that were out of reach of existing diagnosis approaches.
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We demonstrate a high-performance vendor-agnostic method for massively parallel solving of ensembles of ordinary differential equations (ODEs) and stochastic differential equations (SDEs) on GPUs. The method is integrated with a widely used differential equation solver library in a high-level language (Julia's DifferentialEquations.jl) and enables GPU acceleration without requiring code changes by the user. Our approach achieves state-of-the-art performance compared to hand-optimized CUDA-C++ kernels while performing 20--100$\times$ faster than the vectorizing map (vmap) approach implemented in JAX and PyTorch. Performance evaluation on NVIDIA, AMD, Intel, and Apple GPUs demonstrates performance portability and vendor-agnosticism. We show composability with MPI to enable distributed multi-GPU workflows. The implemented solvers are fully featured -- supporting event handling, automatic differentiation, and incorporation of datasets via the GPU's texture memory -- allowing scientists to take advantage of GPU acceleration on all major current architectures without changing their model code and without loss of performance. We distribute the software as an open-source library //github.com/SciML/DiffEqGPU.jl
Path reasoning methods over knowledge graphs have gained popularity for their potential to improve transparency in recommender systems. However, the resulting models still rely on pre-trained knowledge graph embeddings, fail to fully exploit the interdependence between entities and relations in the KG for recommendation, and may generate inaccurate explanations. In this paper, we introduce PEARLM, a novel approach that efficiently captures user behaviour and product-side knowledge through language modelling. With our approach, knowledge graph embeddings are directly learned from paths over the KG by the language model, which also unifies entities and relations in the same optimisation space. Constraints on the sequence decoding additionally guarantee path faithfulness with respect to the KG. Experiments on two datasets show the effectiveness of our approach compared to state-of-the-art baselines. Source code and datasets: AVAILABLE AFTER GETTING ACCEPTED.
Learning the ability to generalize knowledge between similar contexts is particularly important in medical imaging as data distributions can shift substantially from one hospital to another, or even from one machine to another. To strengthen generalization, most state-of-the-art techniques inject knowledge of the data distribution shifts by enforcing constraints on learned features or regularizing parameters. We offer an alternative approach: Learning from Privileged Medical Imaging Information (LPMII). We show that using some privileged information such as tumor shape or location leads to stronger domain generalization ability than current state-of-the-art techniques. This paper demonstrates that by using privileged information to predict the severity of intra-layer retinal fluid in optical coherence tomography scans, the classification accuracy of a deep learning model operating on out-of-distribution data improves from $0.911$ to $0.934$. This paper provides a strong starting point for using privileged information in other medical problems requiring generalization.
With the development of biomedical science, researchers have increasing access to an abundance of studies focusing on similar research questions. There is a growing interest in the integration of summary information from those studies to enhance the efficiency of estimation in their own internal studies. In this work, we present a comprehensive framework on integration of summary information from external studies when the data are modeled by semiparametric models. Our novel framework offers straightforward estimators that update conventional estimations with auxiliary information. It addresses computational challenges by capitalizing on the intricate mathematical structure inherent to the problem. We demonstrate the conditions when the proposed estimators are theoretically more efficient than initial estimate based solely on internal data. Several special cases such as proportional hazards model in survival analysis are provided with numerical examples.
Applying the representational power of machine learning to the prediction of complex fluid dynamics has been a relevant subject of study for years. However, the amount of available fluid simulation data does not match the notoriously high requirements of machine learning methods. Researchers have typically addressed this issue by generating their own datasets, preventing a consistent evaluation of their proposed approaches. Our work introduces a generation procedure for synthetic multi-modal fluid simulations datasets. By leveraging a GPU implementation, our procedure is also efficient enough that no data needs to be exchanged between users, except for configuration files required to reproduce the dataset. Furthermore, our procedure allows multiple modalities (generating both geometry and photorealistic renderings) and is general enough for it to be applied to various tasks in data-driven fluid simulation. We then employ our framework to generate a set of thoughtfully designed benchmark datasets, which attempt to span specific fluid simulation scenarios in a meaningful way. The properties of our contributions are demonstrated by evaluating recently published algorithms for the neural fluid simulation and fluid inverse rendering tasks using our benchmark datasets. Our contribution aims to fulfill the community's need for standardized benchmarks, fostering research that is more reproducible and robust than previous endeavors.
Designing and generating new data under targeted properties has been attracting various critical applications such as molecule design, image editing and speech synthesis. Traditional hand-crafted approaches heavily rely on expertise experience and intensive human efforts, yet still suffer from the insufficiency of scientific knowledge and low throughput to support effective and efficient data generation. Recently, the advancement of deep learning induces expressive methods that can learn the underlying representation and properties of data. Such capability provides new opportunities in figuring out the mutual relationship between the structural patterns and functional properties of the data and leveraging such relationship to generate structural data given the desired properties. This article provides a systematic review of this promising research area, commonly known as controllable deep data generation. Firstly, the potential challenges are raised and preliminaries are provided. Then the controllable deep data generation is formally defined, a taxonomy on various techniques is proposed and the evaluation metrics in this specific domain are summarized. After that, exciting applications of controllable deep data generation are introduced and existing works are experimentally analyzed and compared. Finally, the promising future directions of controllable deep data generation are highlighted and five potential challenges are identified.
Due to their increasing spread, confidence in neural network predictions became more and more important. However, basic neural networks do not deliver certainty estimates or suffer from over or under confidence. Many researchers have been working on understanding and quantifying uncertainty in a neural network's prediction. As a result, different types and sources of uncertainty have been identified and a variety of approaches to measure and quantify uncertainty in neural networks have been proposed. This work gives a comprehensive overview of uncertainty estimation in neural networks, reviews recent advances in the field, highlights current challenges, and identifies potential research opportunities. It is intended to give anyone interested in uncertainty estimation in neural networks a broad overview and introduction, without presupposing prior knowledge in this field. A comprehensive introduction to the most crucial sources of uncertainty is given and their separation into reducible model uncertainty and not reducible data uncertainty is presented. The modeling of these uncertainties based on deterministic neural networks, Bayesian neural networks, ensemble of neural networks, and test-time data augmentation approaches is introduced and different branches of these fields as well as the latest developments are discussed. For a practical application, we discuss different measures of uncertainty, approaches for the calibration of neural networks and give an overview of existing baselines and implementations. Different examples from the wide spectrum of challenges in different fields give an idea of the needs and challenges regarding uncertainties in practical applications. Additionally, the practical limitations of current methods for mission- and safety-critical real world applications are discussed and an outlook on the next steps towards a broader usage of such methods is given.
As soon as abstract mathematical computations were adapted to computation on digital computers, the problem of efficient representation, manipulation, and communication of the numerical values in those computations arose. Strongly related to the problem of numerical representation is the problem of quantization: in what manner should a set of continuous real-valued numbers be distributed over a fixed discrete set of numbers to minimize the number of bits required and also to maximize the accuracy of the attendant computations? This perennial problem of quantization is particularly relevant whenever memory and/or computational resources are severely restricted, and it has come to the forefront in recent years due to the remarkable performance of Neural Network models in computer vision, natural language processing, and related areas. Moving from floating-point representations to low-precision fixed integer values represented in four bits or less holds the potential to reduce the memory footprint and latency by a factor of 16x; and, in fact, reductions of 4x to 8x are often realized in practice in these applications. Thus, it is not surprising that quantization has emerged recently as an important and very active sub-area of research in the efficient implementation of computations associated with Neural Networks. In this article, we survey approaches to the problem of quantizing the numerical values in deep Neural Network computations, covering the advantages/disadvantages of current methods. With this survey and its organization, we hope to have presented a useful snapshot of the current research in quantization for Neural Networks and to have given an intelligent organization to ease the evaluation of future research in this area.
We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly and directly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.
Attention Model has now become an important concept in neural networks that has been researched within diverse application domains. This survey provides a structured and comprehensive overview of the developments in modeling attention. In particular, we propose a taxonomy which groups existing techniques into coherent categories. We review salient neural architectures in which attention has been incorporated, and discuss applications in which modeling attention has shown a significant impact. Finally, we also describe how attention has been used to improve the interpretability of neural networks. We hope this survey will provide a succinct introduction to attention models and guide practitioners while developing approaches for their applications.
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