Many deep neural networks have been used to solve Ising models, including autoregressive neural networks, convolutional neural networks, recurrent neural networks, and graph neural networks. Learning a probability distribution of energy configuration or finding the ground states of a disordered, fully connected Ising model is essential for statistical mechanics and NP-hard problems. Despite tremendous efforts, a neural network architecture with the ability to high-accurately solve these fully connected and extremely intractable problems on larger systems is still lacking. Here we propose a variational autoregressive architecture with a message passing mechanism, which can effectively utilize the interactions between spin variables. The new network trained under an annealing framework outperforms existing methods in solving several prototypical Ising spin Hamiltonians, especially for larger spin systems at low temperatures. The advantages also come from the great mitigation of mode collapse during the training process of deep neural networks. Considering these extremely difficult problems to be solved, our method extends the current computational limits of unsupervised neural networks to solve combinatorial optimization problems.
Shape learning, or the ability to leverage shape information, could be a desirable property of convolutional neural networks (CNNs) when target objects have specific shapes. While some research on the topic is emerging, there is no systematic study to conclusively determine whether and under what circumstances CNNs learn shape. Here, we present such a study in the context of segmentation networks where shapes are particularly important. We define shape and propose a new behavioral metric to measure the extent to which a CNN utilizes shape information. We then execute a set of experiments with synthetic and real-world data to progressively uncover under which circumstances CNNs learn shape and what can be done to encourage such behavior. We conclude that (i) CNNs do not learn shape in typical settings but rather rely on other features available to identify the objects of interest, (ii) CNNs can learn shape, but only if the shape is the only feature available to identify the object, (iii) sufficiently large receptive field size relative to the size of target objects is necessary for shape learning; (iv) a limited set of augmentations can encourage shape learning; (v) learning shape is indeed useful in the presence of out-of-distribution data.
Spiking neural networks (SNNs) are investigated as biologically inspired models of neural computation, distinguished by their computational capability and energy efficiency due to precise spiking times and sparse spikes with event-driven computation. A significant question is how SNNs can emulate human-like graph-based reasoning of concepts and relations, especially leveraging the temporal domain optimally. This paper reveals that SNNs, when amalgamated with synaptic delay and temporal coding, are proficient in executing (knowledge) graph reasoning. It is elucidated that spiking time can function as an additional dimension to encode relation properties via a neural-generalized path formulation. Empirical results highlight the efficacy of temporal delay in relation processing and showcase exemplary performance in diverse graph reasoning tasks. The spiking model is theoretically estimated to achieve $20\times$ energy savings compared to non-spiking counterparts, deepening insights into the capabilities and potential of biologically inspired SNNs for efficient reasoning. The code is available at //github.com/pkuxmq/GRSNN.
Spiking neural networks (SNNs) represent a promising approach to developing artificial neural networks that are both energy-efficient and biologically plausible. However, applying SNNs to sequential tasks, such as text classification and time-series forecasting, has been hindered by the challenge of creating an effective and hardware-friendly spike-form positional encoding (PE) strategy. Drawing inspiration from the central pattern generators (CPGs) in the human brain, which produce rhythmic patterned outputs without requiring rhythmic inputs, we propose a novel PE technique for SNNs, termed CPG-PE. We demonstrate that the commonly used sinusoidal PE is mathematically a specific solution to the membrane potential dynamics of a particular CPG. Moreover, extensive experiments across various domains, including time-series forecasting, natural language processing, and image classification, show that SNNs with CPG-PE outperform their conventional counterparts. Additionally, we perform analysis experiments to elucidate the mechanism through which SNNs encode positional information and to explore the function of CPGs in the human brain. This investigation may offer valuable insights into the fundamental principles of neural computation.
When deploying deep neural networks on robots or other physical systems, the learned model should reliably quantify predictive uncertainty. A reliable uncertainty allows downstream modules to reason about the safety of its actions. In this work, we address metrics for evaluating such an uncertainty. Specifically, we focus on regression tasks, and investigate Area Under Sparsification Error (AUSE), Calibration Error, Spearman's Rank Correlation, and Negative Log-Likelihood (NLL). Using synthetic regression datasets, we look into how those metrics behave under four typical types of uncertainty, their stability regarding the size of the test set, and reveal their strengths and weaknesses. Our results indicate that Calibration Error is the most stable and interpretable metric, but AUSE and NLL also have their respective use cases. We discourage the usage of Spearman's Rank Correlation for evaluating uncertainties and recommend replacing it with AUSE.
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.
Recently, graph neural networks (GNNs) have been widely used for document classification. However, most existing methods are based on static word co-occurrence graphs without sentence-level information, which poses three challenges:(1) word ambiguity, (2) word synonymity, and (3) dynamic contextual dependency. To address these challenges, we propose a novel GNN-based sparse structure learning model for inductive document classification. Specifically, a document-level graph is initially generated by a disjoint union of sentence-level word co-occurrence graphs. Our model collects a set of trainable edges connecting disjoint words between sentences and employs structure learning to sparsely select edges with dynamic contextual dependencies. Graphs with sparse structures can jointly exploit local and global contextual information in documents through GNNs. For inductive learning, the refined document graph is further fed into a general readout function for graph-level classification and optimization in an end-to-end manner. Extensive experiments on several real-world datasets demonstrate that the proposed model outperforms most state-of-the-art results, and reveal the necessity to learn sparse structures for each document.
Graph neural networks (GNNs) is widely used to learn a powerful representation of graph-structured data. Recent work demonstrates that transferring knowledge from self-supervised tasks to downstream tasks could further improve graph representation. However, there is an inherent gap between self-supervised tasks and downstream tasks in terms of optimization objective and training data. Conventional pre-training methods may be not effective enough on knowledge transfer since they do not make any adaptation for downstream tasks. To solve such problems, we propose a new transfer learning paradigm on GNNs which could effectively leverage self-supervised tasks as auxiliary tasks to help the target task. Our methods would adaptively select and combine different auxiliary tasks with the target task in the fine-tuning stage. We design an adaptive auxiliary loss weighting model to learn the weights of auxiliary tasks by quantifying the consistency between auxiliary tasks and the target task. In addition, we learn the weighting model through meta-learning. Our methods can be applied to various transfer learning approaches, it performs well not only in multi-task learning but also in pre-training and fine-tuning. Comprehensive experiments on multiple downstream tasks demonstrate that the proposed methods can effectively combine auxiliary tasks with the target task and significantly improve the performance compared to state-of-the-art methods.
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 neural network architectures have traditionally been designed and explored with human expertise in a long-lasting trial-and-error process. This process requires huge amount of time, expertise, and resources. To address this tedious problem, we propose a novel algorithm to optimally find hyperparameters of a deep network architecture automatically. We specifically focus on designing neural architectures for medical image segmentation task. Our proposed method is based on a policy gradient reinforcement learning for which the reward function is assigned a segmentation evaluation utility (i.e., dice index). We show the efficacy of the proposed method with its low computational cost in comparison with the state-of-the-art medical image segmentation networks. We also present a new architecture design, a densely connected encoder-decoder CNN, as a strong baseline architecture to apply the proposed hyperparameter search algorithm. We apply the proposed algorithm to each layer of the baseline architectures. As an application, we train the proposed system on cine cardiac MR images from Automated Cardiac Diagnosis Challenge (ACDC) MICCAI 2017. Starting from a baseline segmentation architecture, the resulting network architecture obtains the state-of-the-art results in accuracy without performing any trial-and-error based architecture design approaches or close supervision of the hyperparameters changes.
Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.