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Neural network models are widely used in a variety of domains, often as black-box solutions, since they are not directly interpretable for humans. The field of explainable artificial intelligence aims at developing explanation methods to address this challenge, and several approaches have been developed over the recent years, including methods for investigating what type of knowledge these models internalise during the training process. Among these, the method of concept detection, investigates which \emph{concepts} neural network models learn to represent in order to complete their tasks. In this work, we present an extension to the method of concept detection, named \emph{concept backpropagation}, which provides a way of analysing how the information representing a given concept is internalised in a given neural network model. In this approach, the model input is perturbed in a manner guided by a trained concept probe for the described model, such that the concept of interest is maximised. This allows for the visualisation of the detected concept directly in the input space of the model, which in turn makes it possible to see what information the model depends on for representing the described concept. We present results for this method applied to a various set of input modalities, and discuss how our proposed method can be used to visualise what information trained concept probes use, and the degree as to which the representation of the probed concept is entangled within the neural network model itself.

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ACM/IEEE第23屆模型驅動工程語言和系統國際會議,是模型驅動軟件和系統工程的首要會議系列,由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來,模型涵蓋了建模的各個方面,從語言和方法到工具和應用程序。模特的參加者來自不同的背景,包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇,參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會,并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。 官網鏈接: · Neural Networks · MoDELS · INFORMS · 近似 ·
2023 年 9 月 14 日

Many applications in computational physics involve approximating problems with microstructure, characterized by multiple spatial scales in their data. However, these numerical solutions are often computationally expensive due to the need to capture fine details at small scales. As a result, simulating such phenomena becomes unaffordable for many-query applications, such as parametrized systems with multiple scale-dependent features. Traditional projection-based reduced order models (ROMs) fail to resolve these issues, even for second-order elliptic PDEs commonly found in engineering applications. To address this, we propose an alternative nonintrusive strategy to build a ROM, that combines classical proper orthogonal decomposition (POD) with a suitable neural network (NN) model to account for the small scales. Specifically, we employ sparse mesh-informed neural networks (MINNs), which handle both spatial dependencies in the solutions and model parameters simultaneously. We evaluate the performance of this strategy on benchmark problems and then apply it to approximate a real-life problem involving the impact of microcirculation in transport phenomena through the tissue microenvironment.

Deep neural networks have shown many fruitful applications in this decade. A network can get the generalized function through training with a finite dataset. The degree of generalization is a realization of the proximity scale in the data space. Specifically, the scale is not clear if the dataset is complicated. Here we consider a network for the distribution estimation of the dataset. We show the estimation is unstable and the instability depends on the data density and training duration. We derive the kernel-balanced equation, which gives a short phenomenological description of the solution. The equation tells us the reason for the instability and the mechanism of the scale. The network outputs a local average of the dataset as a prediction and the scale of averaging is determined along the equation. The scale gradually decreases along training and finally results in instability in our case.

Comparing graphs of optimal transport has recently gained significant attention, as the distances induced by optimal transport provide both a principled metric between graphs as well as an interpretable description of the associated changes between graphs in terms of a transport plan. As the lack of symmetry introduces challenges in the typically considered formulations, optimal transport distances for graphs have mostly been developed for undirected graphs. Here, we propose two distance measures to compare directed graphs based on variants of optimal transport: (i) an earth movers distance (Wasserstein) and (ii) a Gromov-Wasserstein (GW) distance. We evaluate these two distances and discuss their relative performance for both simulated graph data and real-world directed cell-cell communication graphs, inferred from single-cell RNA-seq data.

We use fixed point theory to analyze nonnegative neural networks, which we define as neural networks that map nonnegative vectors to nonnegative vectors. We first show that nonnegative neural networks with nonnegative weights and biases can be recognized as monotonic and (weakly) scalable functions within the framework of nonlinear Perron-Frobenius theory. This fact enables us to provide conditions for the existence of fixed points of nonnegative neural networks having inputs and outputs of the same dimension, and these conditions are weaker than those recently obtained using arguments in convex analysis. Furthermore, we prove that the shape of the fixed point set of nonnegative neural networks with nonnegative weights and biases is an interval, which under mild conditions degenerates to a point. These results are then used to obtain the existence of fixed points of more general nonnegative neural networks. From a practical perspective, our results contribute to the understanding of the behavior of autoencoders, and the main theoretical results are verified in numerical simulations using the Modified National Institute of Standards and Technology (MNIST) dataset.

A method for sound field decomposition based on neural networks is proposed. The method comprises two stages: a sound field separation stage and a single-source localization stage. In the first stage, the sound pressure at microphones synthesized by multiple sources is separated into one excited by each sound source. In the second stage, the source location is obtained as a regression from the sound pressure at microphones consisting of a single sound source. The estimated location is not affected by discretization because the second stage is designed as a regression rather than a classification. Datasets are generated by simulation using Green's function, and the neural network is trained for each frequency. Numerical experiments reveal that, compared with conventional methods, the proposed method can achieve higher source-localization accuracy and higher sound-field-reconstruction accuracy.

We hypothesize that due to the greedy nature of learning in multi-modal deep neural networks, these models tend to rely on just one modality while under-fitting the other modalities. Such behavior is counter-intuitive and hurts the models' generalization, as we observe empirically. To estimate the model's dependence on each modality, we compute the gain on the accuracy when the model has access to it in addition to another modality. We refer to this gain as the conditional utilization rate. In the experiments, we consistently observe an imbalance in conditional utilization rates between modalities, across multiple tasks and architectures. Since conditional utilization rate cannot be computed efficiently during training, we introduce a proxy for it based on the pace at which the model learns from each modality, which we refer to as the conditional learning speed. We propose an algorithm to balance the conditional learning speeds between modalities during training and demonstrate that it indeed addresses the issue of greedy learning. The proposed algorithm improves the model's generalization on three datasets: Colored MNIST, Princeton ModelNet40, and NVIDIA Dynamic Hand Gesture.

The growing energy and performance costs of deep learning have driven the community to reduce the size of neural networks by selectively pruning components. Similarly to their biological counterparts, sparse networks generalize just as well, if not better than, the original dense networks. Sparsity can reduce the memory footprint of regular networks to fit mobile devices, as well as shorten training time for ever growing networks. In this paper, we survey prior work on sparsity in deep learning and provide an extensive tutorial of sparsification for both inference and training. We describe approaches to remove and add elements of neural networks, different training strategies to achieve model sparsity, and mechanisms to exploit sparsity in practice. Our work distills ideas from more than 300 research papers and provides guidance to practitioners who wish to utilize sparsity today, as well as to researchers whose goal is to push the frontier forward. We include the necessary background on mathematical methods in sparsification, describe phenomena such as early structure adaptation, the intricate relations between sparsity and the training process, and show techniques for achieving acceleration on real hardware. We also define a metric of pruned parameter efficiency that could serve as a baseline for comparison of different sparse networks. We close by speculating on how sparsity can improve future workloads and outline major open problems in the field.

Neural network models usually suffer from the challenge of incorporating commonsense knowledge into the open-domain dialogue systems. In this paper, we propose a novel knowledge-aware dialogue generation model (called TransDG), which transfers question representation and knowledge matching abilities from knowledge base question answering (KBQA) task to facilitate the utterance understanding and factual knowledge selection for dialogue generation. In addition, we propose a response guiding attention and a multi-step decoding strategy to steer our model to focus on relevant features for response generation. Experiments on two benchmark datasets demonstrate that our model has robust superiority over compared methods in generating informative and fluent dialogues. Our code is available at //github.com/siat-nlp/TransDG.

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to handle different types of hypergraphs and are typically not generic for various learning tasks. Indeed, models that can predict variable-sized heterogeneous hyperedges have not been available. Here we develop a new self-attention based graph neural network called Hyper-SAGNN applicable to homogeneous and heterogeneous hypergraphs with variable hyperedge sizes. We perform extensive evaluations on multiple datasets, including four benchmark network datasets and two single-cell Hi-C datasets in genomics. We demonstrate that Hyper-SAGNN significantly outperforms the state-of-the-art methods on traditional tasks while also achieving great performance on a new task called outsider identification. Hyper-SAGNN will be useful for graph representation learning to uncover complex higher-order interactions in different applications.

Recent advances in 3D fully convolutional networks (FCN) have made it feasible to produce dense voxel-wise predictions of volumetric images. In this work, we show that a multi-class 3D FCN trained on manually labeled CT scans of several anatomical structures (ranging from the large organs to thin vessels) can achieve competitive segmentation results, while avoiding the need for handcrafting features or training class-specific models. To this end, we propose a two-stage, coarse-to-fine approach that will first use a 3D FCN to roughly define a candidate region, which will then be used as input to a second 3D FCN. This reduces the number of voxels the second FCN has to classify to ~10% and allows it to focus on more detailed segmentation of the organs and vessels. We utilize training and validation sets consisting of 331 clinical CT images and test our models on a completely unseen data collection acquired at a different hospital that includes 150 CT scans, targeting three anatomical organs (liver, spleen, and pancreas). In challenging organs such as the pancreas, our cascaded approach improves the mean Dice score from 68.5 to 82.2%, achieving the highest reported average score on this dataset. We compare with a 2D FCN method on a separate dataset of 240 CT scans with 18 classes and achieve a significantly higher performance in small organs and vessels. Furthermore, we explore fine-tuning our models to different datasets. Our experiments illustrate the promise and robustness of current 3D FCN based semantic segmentation of medical images, achieving state-of-the-art results. Our code and trained models are available for download: //github.com/holgerroth/3Dunet_abdomen_cascade.

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