We propose sparse regression as an alternative to neural networks for the discovery of parsimonious constitutive models (CMs) from oscillatory shear experiments. Symmetry and frame-invariance are strictly imposed by using tensor basis functions to isolate and describe unknown nonlinear terms in the CMs. We generate synthetic experimental data using the Giesekus and Phan-Thien Tanner CMs, and consider two different scenarios. In the complete information scenario, we assume that the shear stress, along with the first and second normal stress differences, is measured. This leads to a sparse linear regression problem that can be solved efficiently using $l_1$ regularization. In the partial information scenario, we assume that only shear stress data is available. This leads to a more challenging sparse nonlinear regression problem, for which we propose a greedy two-stage algorithm. In both scenarios, the proposed methods fit and interpolate the training data remarkably well. Predictions of the inferred CMs extrapolate satisfactorily beyond the range of training data for oscillatory shear. They also extrapolate reasonably well to flow conditions like startup of steady and uniaxial extension that are not used in the identification of CMs. We discuss ramifications for experimental design, potential algorithmic improvements, and implications of the non-uniqueness of CMs inferred from partial information.
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We derive and study time-uniform confidence spheres -- confidence sphere sequences (CSSs) -- which contain the mean of random vectors with high probability simultaneously across all sample sizes. Our results include a dimension-free CSS for log-concave random vectors, a dimension-free CSS for sub-Gaussian random vectors, and CSSs for sub-$\psi$ random vectors (which includes sub-gamma, sub-Poisson, and sub-exponential distributions). For sub-Gaussian distributions we also provide a CSS which tracks a time-varying mean, generalizing Robbins' mixture approach to the multivariate setting. Finally, we provide several CSSs for heavy-tailed random vectors (two moments only). Our bounds hold under a martingale assumption on the mean and do not require that the observations be iid. Our work is based on PAC-Bayesian theory and inspired by an approach of Catoni and Giulini.
Neural Ordinary Differential Equations (NODEs) often struggle to adapt to new dynamic behaviors caused by parameter changes in the underlying system, even when these dynamics are similar to previously observed behaviors. This problem becomes more challenging when the changing parameters are unobserved, meaning their value or influence cannot be directly measured when collecting data. To address this issue, we introduce Neural Context Flow (NCF), a robust and interpretable Meta-Learning framework that includes uncertainty estimation. NCF uses higher-order Taylor expansion to enable contextual self-modulation, allowing context vectors to influence dynamics from other domains while also modulating themselves. After establishing convergence guarantees, we empirically test NCF and compare it to related adaptation methods. Our results show that NCF achieves state-of-the-art Out-of-Distribution performance on 5 out of 6 linear and non-linear benchmark problems. Through extensive experiments, we explore the flexible model architecture of NCF and the encoded representations within the learned context vectors. Our findings highlight the potential implications of NCF for foundational models in the physical sciences, offering a promising approach to improving the adaptability and generalization of NODEs in various scientific applications. Our code is openly available at \url{//github.com/ddrous/ncflow}.
Causal models seek to unravel the cause-effect relationships among variables from observed data, as opposed to mere mappings among them, as traditional regression models do. This paper introduces a novel causal discovery algorithm designed for settings in which variables exhibit linearly sparse relationships. In such scenarios, the causal links represented by directed acyclic graphs (DAGs) can be encapsulated in a structural matrix. The proposed approach leverages the structural matrix's ability to reconstruct data and the statistical properties it imposes on the data to identify the correct structural matrix. This method does not rely on independence tests or graph fitting procedures, making it suitable for scenarios with limited training data. Simulation results demonstrate that the proposed method outperforms the well-known PC, GES, BIC exact search, and LINGAM-based methods in recovering linearly sparse causal structures.
Recurrent neural networks (RNNs) hold immense potential for computations due to their Turing completeness and sequential processing capabilities, yet existing methods for their training encounter efficiency challenges. Backpropagation through time (BPTT), the prevailing method, extends the backpropagation (BP) algorithm by unrolling the RNN over time. However, this approach suffers from significant drawbacks, including the need to interleave forward and backward phases and store exact gradient information. Furthermore, BPTT has been shown to struggle to propagate gradient information for long sequences, leading to vanishing gradients. An alternative strategy to using gradient-based methods like BPTT involves stochastically approximating gradients through perturbation-based methods. This learning approach is exceptionally simple, necessitating only forward passes in the network and a global reinforcement signal as feedback. Despite its simplicity, the random nature of its updates typically leads to inefficient optimization, limiting its effectiveness in training neural networks. In this study, we present a new approach to perturbation-based learning in RNNs whose performance is competitive with BPTT, while maintaining the inherent advantages over gradient-based learning. To this end, we extend the recently introduced activity-based node perturbation (ANP) method to operate in the time domain, leading to more efficient learning and generalization. We subsequently conduct a range of experiments to validate our approach. Our results show similar performance, convergence time and scalability compared to BPTT, strongly outperforming standard node and weight perturbation methods. These findings suggest that perturbation-based learning methods offer a versatile alternative to gradient-based methods for training RNNs which can be ideally suited for neuromorphic computing applications
In unsupervised representation learning, models aim to distill essential features from high-dimensional data into lower-dimensional learned representations, guided by inductive biases. Understanding the characteristics that make a good representation remains a topic of ongoing research. Disentanglement of independent generative processes has long been credited with producing high-quality representations. However, focusing solely on representations that adhere to the stringent requirements of most disentanglement metrics, may result in overlooking many high-quality representations, well suited for various downstream tasks. These metrics often demand that generative factors be encoded in distinct, single dimensions aligned with the canonical basis of the representation space. Motivated by these observations, we propose two novel metrics: Importance-Weighted Orthogonality (IWO) and Importance-Weighted Rank (IWR). These metrics evaluate the mutual orthogonality and rank of generative factor subspaces. Throughout extensive experiments on common downstream tasks, over several benchmark datasets and models, IWO and IWR consistently show stronger correlations with downstream task performance than traditional disentanglement metrics. Our findings suggest that representation quality is closer related to the orthogonality of independent generative processes rather than their disentanglement, offering a new direction for evaluating and improving unsupervised learning models.
The rapid development of Large Language Models (LLMs) creates new opportunities for recommender systems, especially by exploiting the side information (e.g., descriptions and analyses of items) generated by these models. However, aligning this side information with collaborative information from historical interactions poses significant challenges. The inherent biases within LLMs can skew recommendations, resulting in distorted and potentially unfair user experiences. On the other hand, propensity bias causes side information to be aligned in such a way that it often tends to represent all inputs in a low-dimensional subspace, leading to a phenomenon known as dimensional collapse, which severely restricts the recommender system's ability to capture user preferences and behaviours. To address these issues, we introduce a novel framework named Counterfactual LLM Recommendation (CLLMR). Specifically, we propose a spectrum-based side information encoder that implicitly embeds structural information from historical interactions into the side information representation, thereby circumventing the risk of dimension collapse. Furthermore, our CLLMR approach explores the causal relationships inherent in LLM-based recommender systems. By leveraging counterfactual inference, we counteract the biases introduced by LLMs. Extensive experiments demonstrate that our CLLMR approach consistently enhances the performance of various recommender models.
Time series often appear in an additive hierarchical structure. In such cases, time series on higher levels are the sums of their subordinate time series. This hierarchical structure places a natural constraint on forecasts. However, univariate forecasting techniques are incapable of ensuring this forecast coherence. An obvious solution is to forecast only bottom time series and obtain higher level forecasts through aggregation. This approach is also known as the bottom-up approach. In their seminal paper, \citep{Wickramasuriya2019} propose an optimal reconciliation approach named MinT. It tries to minimize the trace of the underlying covariance matrix of all forecast errors. The MinT algorithm has demonstrated superior performance to the bottom-up and other approaches and enjoys great popularity. This paper provides a simulation study examining the performance of MinT for very short time series and larger hierarchical structures. This scenario makes the covariance estimation required by MinT difficult. A novel iterative approach is introduced which significantly reduces the number of estimated parameters. This approach is capable of improving forecast accuracy further. The application of MinTit is also demonstrated with a case study at the hand of a semiconductor dataset based on data provided by the World Semiconductor Trade Statistics (WSTS), a premier provider of semiconductor market data.
Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most promising solution is distributed training which distributes the workload of training across multiple computing nodes. However, the workflows, computational patterns, communication patterns, and optimization techniques of distributed GNN training remain preliminarily understood. In this paper, we provide a comprehensive survey of distributed GNN training by investigating various optimization techniques used in distributed GNN training. First, distributed GNN training is classified into several categories according to their workflows. In addition, their computational patterns and communication patterns, as well as the optimization techniques proposed by recent work are introduced. Second, the software frameworks and hardware platforms of distributed GNN training are also introduced for a deeper understanding. Third, distributed GNN training is compared with distributed training of deep neural networks, emphasizing the uniqueness of distributed GNN training. Finally, interesting issues and opportunities in this field are discussed.
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.
Deep neural networks have revolutionized many machine learning tasks in power systems, ranging from pattern recognition to signal processing. The data in these tasks is typically represented in Euclidean domains. Nevertheless, there is an increasing number of applications in power systems, where data are collected from non-Euclidean domains and represented as the graph-structured data with high dimensional features and interdependency among nodes. The complexity of graph-structured data has brought significant challenges to the existing deep neural networks defined in Euclidean domains. Recently, many studies on extending deep neural networks for graph-structured data in power systems have emerged. In this paper, a comprehensive overview of graph neural networks (GNNs) in power systems is proposed. Specifically, several classical paradigms of GNNs structures (e.g., graph convolutional networks, graph recurrent neural networks, graph attention networks, graph generative networks, spatial-temporal graph convolutional networks, and hybrid forms of GNNs) are summarized, and key applications in power systems such as fault diagnosis, power prediction, power flow calculation, and data generation are reviewed in detail. Furthermore, main issues and some research trends about the applications of GNNs in power systems are discussed.
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