For a number of years since its introduction to hydrology, recurrent neural networks like long short-term memory (LSTM) have proven remarkably difficult to surpass in terms of daily hydrograph metrics on known, comparable benchmarks. Outside of hydrology, Transformers have now become the model of choice for sequential prediction tasks, making it a curious architecture to investigate. Here, we first show that a vanilla Transformer architecture is not competitive against LSTM on the widely benchmarked CAMELS dataset, and lagged especially for the high-flow metrics due to short-term processes. However, a recurrence-free variant of Transformer can obtain mixed comparisons with LSTM, producing the same Kling-Gupta efficiency coefficient (KGE), along with other metrics. The lack of advantages for the Transformer is linked to the Markovian nature of the hydrologic prediction problem. Similar to LSTM, the Transformer can also merge multiple forcing dataset to improve model performance. While the Transformer results are not higher than current state-of-the-art, we still learned some valuable lessons: (1) the vanilla Transformer architecture is not suitable for hydrologic modeling; (2) the proposed recurrence-free modification can improve Transformer performance so future work can continue to test more of such modifications; and (3) the prediction limits on the dataset should be close to the current state-of-the-art model. As a non-recurrent model, the Transformer may bear scale advantages for learning from bigger datasets and storing knowledge. This work serves as a reference point for future modifications of the model.
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Hopfield networks are an attractive choice for solving many types of computational problems because they provide a biologically plausible mechanism. The Self-Optimization (SO) model adds to the Hopfield network by using a biologically founded Hebbian learning rule, in combination with repeated network resets to arbitrary initial states, for optimizing its own behavior towards some desirable goal state encoded in the network. In order to better understand that process, we demonstrate first that the SO model can solve concrete combinatorial problems in SAT form, using two examples of the Liars problem and the map coloring problem. In addition, we show how under some conditions critical information might get lost forever with the learned network producing seemingly optimal solutions that are in fact inappropriate for the problem it was tasked to solve. What appears to be an undesirable side-effect of the SO model, can provide insight into its process for solving intractable problems.
We investigate the properties of random feature ridge regression (RFRR) given by a two-layer neural network with random Gaussian initialization. We study the non-asymptotic behaviors of the RFRR with nearly orthogonal deterministic unit-length input data vectors in the overparameterized regime, where the width of the first layer is much larger than the sample size. Our analysis shows high-probability non-asymptotic concentration results for the training errors, cross-validations, and generalization errors of RFRR centered around their respective values for a kernel ridge regression (KRR). This KRR is derived from an expected kernel generated by a nonlinear random feature map. We then approximate the performance of the KRR by a polynomial kernel matrix obtained from the Hermite polynomial expansion of the activation function, whose degree only depends on the orthogonality among different data points. This polynomial kernel determines the asymptotic behavior of the RFRR and the KRR. Our results hold for a wide variety of activation functions and input data sets that exhibit nearly orthogonal properties. Based on these approximations, we obtain a lower bound for the generalization error of the RFRR for a nonlinear student-teacher model.
Hypernetworks, or hypernets in short, are neural networks that generate weights for another neural network, known as the target network. They have emerged as a powerful deep learning technique that allows for greater flexibility, adaptability, dynamism, faster training, information sharing, and model compression etc. Hypernets have shown promising results in a variety of deep learning problems, including continual learning, causal inference, transfer learning, weight pruning, uncertainty quantification, zero-shot learning, natural language processing, and reinforcement learning etc. Despite their success across different problem settings, currently, there is no review available to inform the researchers about the developments and to help in utilizing hypernets. To fill this gap, we review the progress in hypernets. We present an illustrative example to train deep neural networks using hypernets and propose categorizing hypernets based on five design criteria as inputs, outputs, variability of inputs and outputs, and architecture of hypernets. We also review applications of hypernets across different deep learning problem settings, followed by a discussion of general scenarios where hypernets can be effectively employed. Finally, we discuss the challenges and future directions that remain under-explored in the field of hypernets. We believe that hypernetworks have the potential to revolutionize the field of deep learning. They offer a new way to design and train neural networks, and they have the potential to improve the performance of deep learning models on a variety of tasks. Through this review, we aim to inspire further advancements in deep learning through hypernetworks.
The decentralized and privacy-preserving nature of federated learning (FL) makes it vulnerable to backdoor attacks aiming to manipulate the behavior of the resulting model on specific adversary-chosen inputs. However, most existing defenses based on statistical differences take effect only against specific attacks, especially when the malicious gradients are similar to benign ones or the data are highly non-independent and identically distributed (non-IID). In this paper, we revisit the distance-based defense methods and discover that i) Euclidean distance becomes meaningless in high dimensions and ii) malicious gradients with diverse characteristics cannot be identified by a single metric. To this end, we present a simple yet effective defense strategy with multi-metrics and dynamic weighting to identify backdoors adaptively. Furthermore, our novel defense has no reliance on predefined assumptions over attack settings or data distributions and little impact on benign performance. To evaluate the effectiveness of our approach, we conduct comprehensive experiments on different datasets under various attack settings, where our method achieves the best defensive performance. For instance, we achieve the lowest backdoor accuracy of 3.06% under the difficult Edge-case PGD, showing significant superiority over previous defenses. The results also demonstrate that our method can be well-adapted to a wide range of non-IID degrees without sacrificing the benign performance.
Neural network approaches to approximate the ground state of quantum hamiltonians require the numerical solution of a highly nonlinear optimization problem. We introduce a statistical learning approach that makes the optimization trivial by using kernel methods. Our scheme is an approximate realization of the power method, where supervised learning is used to learn the next step of the power iteration. We show that the ground state properties of arbitrary gapped quantum hamiltonians can be reached with polynomial resources under the assumption that the supervised learning is efficient. Using kernel ridge regression, we provide numerical evidence that the learning assumption is verified by applying our scheme to find the ground states of several prototypical interacting many-body quantum systems, both in one and two dimensions, showing the flexibility of our approach.
By combining a logarithm transformation with a corrected Milstein-type method, the present article proposes an explicit, unconditional boundary and dynamics preserving scheme for the stochastic susceptible-infected-susceptible (SIS) epidemic model that takes value in (0,N). The scheme applied to the model is first proved to have a strong convergence rate of order one. Further, the dynamic behaviors are analyzed for the numerical approximations and it is shown that the scheme can unconditionally preserve both the domain and the dynamics of the model. More precisely, the proposed scheme gives numerical approximations living in the domain (0,N) and reproducing the extinction and persistence properties of the original model for any time discretization step-size h > 0, without any additional requirements on the model parameters. Numerical experiments are presented to verify our theoretical results.
We investigate the descriptive complexity of a class of neural networks with unrestricted topologies and piecewise polynomial activation functions. We consider the general scenario where the running time is unlimited and floating-point numbers are used for simulating reals. We characterize a class of these neural networks with a rule-based logic for Boolean networks. In particular, we show that the sizes of the neural networks and the corresponding Boolean rule formulae are polynomially related. In fact, in the direction from Boolean rules to neural networks, the blow-up is only linear. We also analyze the delays in running times due to the translations. In the translation from neural networks to Boolean rules, the time delay is polylogarithmic in the neural network size and linear in time. In the converse translation, the time delay is linear in both factors.
What is learned by sophisticated neural network agents such as AlphaZero? This question is of both scientific and practical interest. If the representations of strong neural networks bear no resemblance to human concepts, our ability to understand faithful explanations of their decisions will be restricted, ultimately limiting what we can achieve with neural network interpretability. In this work we provide evidence that human knowledge is acquired by the AlphaZero neural network as it trains on the game of chess. By probing for a broad range of human chess concepts we show when and where these concepts are represented in the AlphaZero network. We also provide a behavioural analysis focusing on opening play, including qualitative analysis from chess Grandmaster Vladimir Kramnik. Finally, we carry out a preliminary investigation looking at the low-level details of AlphaZero's representations, and make the resulting behavioural and representational analyses available online.
Graph neural networks (GNNs) have been proven to be effective in various network-related tasks. Most existing GNNs usually exploit the low-frequency signals of node features, which gives rise to one fundamental question: is the low-frequency information all we need in the real world applications? In this paper, we first present an experimental investigation assessing the roles of low-frequency and high-frequency signals, where the results clearly show that exploring low-frequency signal only is distant from learning an effective node representation in different scenarios. How can we adaptively learn more information beyond low-frequency information in GNNs? A well-informed answer can help GNNs enhance the adaptability. We tackle this challenge and propose a novel Frequency Adaptation Graph Convolutional Networks (FAGCN) with a self-gating mechanism, which can adaptively integrate different signals in the process of message passing. For a deeper understanding, we theoretically analyze the roles of low-frequency signals and high-frequency signals on learning node representations, which further explains why FAGCN can perform well on different types of networks. Extensive experiments on six real-world networks validate that FAGCN not only alleviates the over-smoothing problem, but also has advantages over the state-of-the-arts.
Graph Neural Networks (GNNs), which generalize deep neural networks to graph-structured data, have drawn considerable attention and achieved state-of-the-art performance in numerous graph related tasks. However, existing GNN models mainly focus on designing graph convolution operations. The graph pooling (or downsampling) operations, that play an important role in learning hierarchical representations, are usually overlooked. In this paper, we propose a novel graph pooling operator, called Hierarchical Graph Pooling with Structure Learning (HGP-SL), which can be integrated into various graph neural network architectures. HGP-SL incorporates graph pooling and structure learning into a unified module to generate hierarchical representations of graphs. More specifically, the graph pooling operation adaptively selects a subset of nodes to form an induced subgraph for the subsequent layers. To preserve the integrity of graph's topological information, we further introduce a structure learning mechanism to learn a refined graph structure for the pooled graph at each layer. By combining HGP-SL operator with graph neural networks, we perform graph level representation learning with focus on graph classification task. Experimental results on six widely used benchmarks demonstrate the effectiveness of our proposed model.
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