Solving NP-hard/complete combinatorial problems with neural networks is a challenging research area that aims to surpass classical approximate algorithms. The long-term objective is to outperform hand-designed heuristics for NP-hard/complete problems by learning to generate superior solutions solely from training data. Current neural-based methods for solving CO problems often overlook the inherent "algorithmic" nature of the problems. In contrast, heuristics designed for CO problems, e.g. TSP, frequently leverage well-established algorithms, such as those for finding the minimum spanning tree. In this paper, we propose leveraging recent advancements in neural algorithmic reasoning to improve the learning of CO problems. Specifically, we suggest pre-training our neural model on relevant algorithms before training it on CO instances. Our results demonstrate that by using this learning setup, we achieve superior performance compared to non-algorithmically informed deep learning models.
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Fast development in science and technology has driven the need for proper statistical tools to capture special data features such as abrupt changes or sharp contrast. Many inverse problems in data science require spatiotemporal solutions derived from a sequence of time-dependent objects with these spatial features, e.g., dynamic reconstruction of computerized tomography (CT) images with edges. Conventional methods based on Gaussian processes (GP) often fall short in providing satisfactory solutions since they tend to offer over-smooth priors. Recently, the Besov process (BP), defined by wavelet expansions with random coefficients, has emerged as a more suitable prior for Bayesian inverse problems of this nature. While BP excels in handling spatial inhomogeneity, it does not automatically incorporate temporal correlation inherited in the dynamically changing objects. In this paper, we generalize BP to a novel spatiotemporal Besov process (STBP) by replacing the random coefficients in the series expansion with stochastic time functions as Q-exponential process (Q-EP) which governs the temporal correlation structure. We thoroughly investigate the mathematical and statistical properties of STBP. A white-noise representation of STBP is also proposed to facilitate the inference. Simulations, two limited-angle CT reconstruction examples and a highly non-linear inverse problem involving Navier-Stokes equation are used to demonstrate the advantage of the proposed STBP in preserving spatial features while accounting for temporal changes compared with the classic STGP and a time-uncorrelated approach.
Point processes are finding growing applications in numerous fields, such as neuroscience, high frequency finance and social media. So classic problems of classification and clustering are of increasing interest. However, analytic study of misclassification error probability in multi-class classification has barely begun. In this paper, we tackle the multi-class likelihood classification problem for point processes and develop, for the first time, both asymptotic upper and lower bounds on the error rate in terms of computable pair-wise affinities. We apply these general results to classifying renewal processes. Under some technical conditions, we show that the bounds have exponential decay and give explicit associated constants. The results are illustrated with a non-trivial simulation.
In many scenarios, especially biomedical applications, the correct delineation of complex fine-scaled structures such as neurons, tissues, and vessels is critical for downstream analysis. Despite the strong predictive power of deep learning methods, they do not provide a satisfactory representation of these structures, thus creating significant barriers in scalable annotation and downstream analysis. In this dissertation, we tackle such challenges by proposing novel representations of these topological structures in a deep learning framework. We leverage the mathematical tools from topological data analysis, i.e., persistent homology and discrete Morse theory, to develop principled methods for better segmentation and uncertainty estimation, which will become powerful tools for scalable annotation.
Effective coordination is crucial for motion control with reinforcement learning, especially as the complexity of agents and their motions increases. However, many existing methods struggle to account for the intricate dependencies between joints. We introduce CoordiGraph, a novel architecture that leverages subequivariant principles from physics to enhance coordination of motion control with reinforcement learning. This method embeds the principles of equivariance as inherent patterns in the learning process under gravity influence, which aids in modeling the nuanced relationships between joints vital for motion control. Through extensive experimentation with sophisticated agents in diverse environments, we highlight the merits of our approach. Compared to current leading methods, CoordiGraph notably enhances generalization and sample efficiency.
Optimising deep neural networks is a challenging task due to complex training dynamics, high computational requirements, and long training times. To address this difficulty, we propose the framework of Generalisable Agents for Neural Network Optimisation (GANNO) -- a multi-agent reinforcement learning (MARL) approach that learns to improve neural network optimisation by dynamically and responsively scheduling hyperparameters during training. GANNO utilises an agent per layer that observes localised network dynamics and accordingly takes actions to adjust these dynamics at a layerwise level to collectively improve global performance. In this paper, we use GANNO to control the layerwise learning rate and show that the framework can yield useful and responsive schedules that are competitive with handcrafted heuristics. Furthermore, GANNO is shown to perform robustly across a wide variety of unseen initial conditions, and can successfully generalise to harder problems than it was trained on. Our work presents an overview of the opportunities that this paradigm offers for training neural networks, along with key challenges that remain to be overcome.
Deep neural networks (DNNs) have succeeded in many different perception tasks, e.g., computer vision, natural language processing, reinforcement learning, etc. The high-performed DNNs heavily rely on intensive resource consumption. For example, training a DNN requires high dynamic memory, a large-scale dataset, and a large number of computations (a long training time); even inference with a DNN also demands a large amount of static storage, computations (a long inference time), and energy. Therefore, state-of-the-art DNNs are often deployed on a cloud server with a large number of super-computers, a high-bandwidth communication bus, a shared storage infrastructure, and a high power supplement. Recently, some new emerging intelligent applications, e.g., AR/VR, mobile assistants, Internet of Things, require us to deploy DNNs on resource-constrained edge devices. Compare to a cloud server, edge devices often have a rather small amount of resources. To deploy DNNs on edge devices, we need to reduce the size of DNNs, i.e., we target a better trade-off between resource consumption and model accuracy. In this dissertation, we studied four edge intelligence scenarios, i.e., Inference on Edge Devices, Adaptation on Edge Devices, Learning on Edge Devices, and Edge-Server Systems, and developed different methodologies to enable deep learning in each scenario. Since current DNNs are often over-parameterized, our goal is to find and reduce the redundancy of the DNNs in each scenario.
The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.
Embedding entities and relations into a continuous multi-dimensional vector space have become the dominant method for knowledge graph embedding in representation learning. However, most existing models ignore to represent hierarchical knowledge, such as the similarities and dissimilarities of entities in one domain. We proposed to learn a Domain Representations over existing knowledge graph embedding models, such that entities that have similar attributes are organized into the same domain. Such hierarchical knowledge of domains can give further evidence in link prediction. Experimental results show that domain embeddings give a significant improvement over the most recent state-of-art baseline knowledge graph embedding models.
Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.
Deep learning has yielded state-of-the-art performance on many natural language processing tasks including named entity recognition (NER). However, this typically requires large amounts of labeled data. In this work, we demonstrate that the amount of labeled training data can be drastically reduced when deep learning is combined with active learning. While active learning is sample-efficient, it can be computationally expensive since it requires iterative retraining. To speed this up, we introduce a lightweight architecture for NER, viz., the CNN-CNN-LSTM model consisting of convolutional character and word encoders and a long short term memory (LSTM) tag decoder. The model achieves nearly state-of-the-art performance on standard datasets for the task while being computationally much more efficient than best performing models. We carry out incremental active learning, during the training process, and are able to nearly match state-of-the-art performance with just 25\% of the original training data.
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