Heretofore, learning the directed acyclic graphs (DAGs) that encode the cause-effect relationships embedded in observational data is a computationally challenging problem. A recent trend of studies has shown that it is possible to recover the DAGs with polynomial time complexity under the equal variances assumption. However, this prohibits the heteroscedasticity of the noise, which allows for more flexible modeling capabilities, but at the same time is substantially more challenging to handle. In this study, we tackle the heteroscedastic causal structure learning problem under Gaussian noises. By exploiting the normality of the causal mechanisms, we can recover a valid causal ordering, which can uniquely identify the causal DAG using a series of conditional independence tests. The result is HOST (Heteroscedastic causal STructure learning), a simple yet effective causal structure learning algorithm that scales polynomially in both sample size and dimensionality. In addition, via extensive empirical evaluations on a wide range of both controlled and real datasets, we show that the proposed HOST method is competitive with state-of-the-art approaches in both the causal order learning and structure learning problems.
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The representation space of neural models for textual data emerges in an unsupervised manner during training. Understanding how those representations encode human-interpretable concepts is a fundamental problem. One prominent approach for the identification of concepts in neural representations is searching for a linear subspace whose erasure prevents the prediction of the concept from the representations. However, while many linear erasure algorithms are tractable and interpretable, neural networks do not necessarily represent concepts in a linear manner. To identify non-linearly encoded concepts, we propose a kernelization of a linear minimax game for concept erasure. We demonstrate that it is possible to prevent specific non-linear adversaries from predicting the concept. However, the protection does not transfer to different nonlinear adversaries. Therefore, exhaustively erasing a non-linearly encoded concept remains an open problem.
The modelling of dynamical systems from discrete observations is a challenge faced by modern scientific and engineering data systems. Hamiltonian systems are one such fundamental and ubiquitous class of dynamical systems. Hamiltonian neural networks are state-of-the-art models that unsupervised-ly regress the Hamiltonian of a dynamical system from discrete observations of its vector field under the learning bias of Hamilton's equations. Yet Hamiltonian dynamics are often complicated, especially in higher dimensions where the state space of the Hamiltonian system is large relative to the number of samples. A recently discovered remedy to alleviate the complexity between state variables in the state space is to leverage the additive separability of the Hamiltonian system and embed that additive separability into the Hamiltonian neural network. Following the nomenclature of physics-informed machine learning, we propose three separable Hamiltonian neural networks. These models embed additive separability within Hamiltonian neural networks. The first model uses additive separability to quadratically scale the amount of data for training Hamiltonian neural networks. The second model embeds additive separability within the loss function of the Hamiltonian neural network. The third model embeds additive separability through the architecture of the Hamiltonian neural network using conjoined multilayer perceptions. We empirically compare the three models against state-of-the-art Hamiltonian neural networks, and demonstrate that the separable Hamiltonian neural networks, which alleviate complexity between the state variables, are more effective at regressing the Hamiltonian and its vector field.
An algorithm for robust initial orbit determination (IOD) under perturbed orbital dynamics is presented. By leveraging map inversion techniques defined in the algebra of Taylor polynomials, this tool returns a highly accurate solution to the IOD problem and estimates a range centered on the aforementioned solution in which the true orbit should lie. To meet the specified accuracy requirements, automatic domain splitting is used to wrap the IOD routines and ensure that the local truncation error, introduced by a polynomial representation of the state estimate, remains below a predefined threshold. The algorithm is presented for three types of ground-based sensors, namely range radars, Doppler-only radars, and optical telescopes, by considering their different constraints in terms of available measurements and sensor noise. Finally, the improvement in performance with respect to a Keplerian-based IOD solution is demonstrated using large-scale numerical simulations over a subset of tracked objects in low Earth orbit.
We consider the problem of inferring the underlying graph topology from smooth graph signals in a novel but practical scenario where data are located in distributed clients and are privacy-sensitive. The main difficulty of this task lies in how to utilize the potentially heterogeneous data of all isolated clients under privacy constraints. Towards this end, we propose a framework where personalized graphs for local clients as well as a consensus graph are jointly learned. The personalized graphs match local data distributions, thereby mitigating data heterogeneity, while the consensus graph captures the global information. We next devise a tailored algorithm to solve the induced problem without violating privacy constraints, i.e., all private data are processed locally. To further enhance privacy protection, we introduce differential privacy (DP) into the proposed algorithm to resist privacy attacks when transmitting model updates. Theoretically, we establish provable convergence analyses for the proposed algorithms, including that with DP. Finally, extensive experiments on both synthetic and real-world data are carried out to validate the proposed framework. Experimental results illustrate that our approach can learn graphs effectively in the target scenario.
The aim of this work is to develop a fully-distributed algorithmic framework for training graph convolutional networks (GCNs). The proposed method is able to exploit the meaningful relational structure of the input data, which are collected by a set of agents that communicate over a sparse network topology. After formulating the centralized GCN training problem, we first show how to make inference in a distributed scenario where the underlying data graph is split among different agents. Then, we propose a distributed gradient descent procedure to solve the GCN training problem. The resulting model distributes computation along three lines: during inference, during back-propagation, and during optimization. Convergence to stationary solutions of the GCN training problem is also established under mild conditions. Finally, we propose an optimization criterion to design the communication topology between agents in order to match with the graph describing data relationships. A wide set of numerical results validate our proposal. To the best of our knowledge, this is the first work combining graph convolutional neural networks with distributed optimization.
Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect subgraphs, rendering subgraph prediction tasks challenging to tackle in many impactful applications. Further, subgraph prediction tasks present several unique challenges, because subgraphs can have non-trivial internal topology, but also carry a notion of position and external connectivity information relative to the underlying graph in which they exist. Here, we introduce SUB-GNN, a subgraph neural network to learn disentangled subgraph representations. In particular, we propose a novel subgraph routing mechanism that propagates neural messages between the subgraph's components and randomly sampled anchor patches from the underlying graph, yielding highly accurate subgraph representations. SUB-GNN specifies three channels, each designed to capture a distinct aspect of subgraph structure, and we provide empirical evidence that the channels encode their intended properties. We design a series of new synthetic and real-world subgraph datasets. Empirical results for subgraph classification on eight datasets show that SUB-GNN achieves considerable performance gains, outperforming strong baseline methods, including node-level and graph-level GNNs, by 12.4% over the strongest baseline. SUB-GNN performs exceptionally well on challenging biomedical datasets when subgraphs have complex topology and even comprise multiple disconnected components.
Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn node representations on the fixed and homogeneous graphs. The limitations especially become problematic when learning representations on a misspecified graph or a heterogeneous graph that consists of various types of nodes and edges. In this paper, we propose Graph Transformer Networks (GTNs) that are capable of generating new graph structures, which involve identifying useful connections between unconnected nodes on the original graph, while learning effective node representation on the new graphs in an end-to-end fashion. Graph Transformer layer, a core layer of GTNs, learns a soft selection of edge types and composite relations for generating useful multi-hop connections so-called meta-paths. Our experiments show that GTNs learn new graph structures, based on data and tasks without domain knowledge, and yield powerful node representation via convolution on the new graphs. Without domain-specific graph preprocessing, GTNs achieved the best performance in all three benchmark node classification tasks against the state-of-the-art methods that require pre-defined meta-paths from domain knowledge.
Knowledge graph (KG) embedding encodes the entities and relations from a KG into low-dimensional vector spaces to support various applications such as KG completion, question answering, and recommender systems. In real world, knowledge graphs (KGs) are dynamic and evolve over time with addition or deletion of triples. However, most existing models focus on embedding static KGs while neglecting dynamics. To adapt to the changes in a KG, these models need to be re-trained on the whole KG with a high time cost. In this paper, to tackle the aforementioned problem, we propose a new context-aware Dynamic Knowledge Graph Embedding (DKGE) method which supports the embedding learning in an online fashion. DKGE introduces two different representations (i.e., knowledge embedding and contextual element embedding) for each entity and each relation, in the joint modeling of entities and relations as well as their contexts, by employing two attentive graph convolutional networks, a gate strategy, and translation operations. This effectively helps limit the impacts of a KG update in certain regions, not in the entire graph, so that DKGE can rapidly acquire the updated KG embedding by a proposed online learning algorithm. Furthermore, DKGE can also learn KG embedding from scratch. Experiments on the tasks of link prediction and question answering in a dynamic environment demonstrate the effectiveness and efficiency of DKGE.
Attention networks in multimodal learning provide an efficient way to utilize given visual information selectively. However, the computational cost to learn attention distributions for every pair of multimodal input channels is prohibitively expensive. To solve this problem, co-attention builds two separate attention distributions for each modality neglecting the interaction between multimodal inputs. In this paper, we propose bilinear attention networks (BAN) that find bilinear attention distributions to utilize given vision-language information seamlessly. BAN considers bilinear interactions among two groups of input channels, while low-rank bilinear pooling extracts the joint representations for each pair of channels. Furthermore, we propose a variant of multimodal residual networks to exploit eight-attention maps of the BAN efficiently. We quantitatively and qualitatively evaluate our model on visual question answering (VQA 2.0) and Flickr30k Entities datasets, showing that BAN significantly outperforms previous methods and achieves new state-of-the-arts on both datasets.
We investigate a lattice-structured LSTM model for Chinese NER, which encodes a sequence of input characters as well as all potential words that match a lexicon. Compared with character-based methods, our model explicitly leverages word and word sequence information. Compared with word-based methods, lattice LSTM does not suffer from segmentation errors. Gated recurrent cells allow our model to choose the most relevant characters and words from a sentence for better NER results. Experiments on various datasets show that lattice LSTM outperforms both word-based and character-based LSTM baselines, achieving the best results.
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