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Register a new userNeural Datalog Through Time: Informed Temporal Modeling via Logical Specification
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Added by
Hongyuan Mei
Publication date
2020
fields
Informatics Engineering
and research's language is
English
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Learning how to predict future events from patterns of past events is difficult when the set of possible event types is large. Training an unrestricted neural model might overfit to spurious patterns. To exploit domain-specific knowledge of how past events might affect an events present probability, we propose using a temporal deductive database to track structured facts over time. Rules serve to prove facts from other facts and from past events. Each fact has a time-varying state---a vector computed by a neural net whose topology is determined by the facts provenance, including its experience of past events. The possible event types at any time are given by special facts, whose probabilities are neurally modeled alongside their states. In both synthetic and real-world domains, we show that neural probabilistic models derived from concise Datalog programs improve prediction by encoding appropriate domain knowledge in their architecture.
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Chemical kinetics consists of the phenomenological framework for the disentanglement of reaction mechanisms, optimization of reaction performance and the rational design of chemical processes. Here, we utilize feed-forward artificial neural networks as basis functions for the construction of surrogate models to solve ordinary differential equations (ODEs) that describe microkinetic models (MKMs). We present an algebraic framework for the mathematical description and classification of reaction networks, types of elementary reaction, and chemical species. Under this framework, we demonstrate that the simultaneous training of neural nets and kinetic model parameters in a regularized multiobjective optimization setting leads to the solution of the inverse problem through the estimation of kinetic parameters from synthetic experimental data. We probe the limits at which kinetic parameters can be retrieved as a function of knowledge about the chemical system states over time, and assess the robustness of the methodology with respect to statistical noise. This surrogate approach to inverse kinetic ODEs can assist in the elucidation of reaction mechanisms based on transient data.
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This paper presents a specification-guided safety verification method for feedforward neural networks with general activation functions. As such feedforward networks are memoryless, they can be abstractly represented as mathematical functions, and the reachability analysis of the neural network amounts to interval analysis problems. In the framework of interval analysis, a computationally efficient formula which can quickly compute the output interval sets of a neural network is developed. Then, a specification-guided reachability algorithm is developed. Specifically, the bisection process in the verification algorithm is completely guided by a given safety specification. Due to the employment of the safety specification, unnecessary computations are avoided and thus the computational cost can be reduced significantly. Experiments show that the proposed method enjoys much more efficiency in safety verification with significantly less computational cost.
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Multivariate time-series forecasting plays a crucial role in many real-world applications. It is a challenging problem as one needs to consider both intra-series temporal correlations and inter-series correlations simultaneously. Recently, there have been multiple works trying to capture both correlations, but most, if not all of them only capture temporal correlations in the time domain and resort to pre-defined priors as inter-series relationships. In this paper, we propose Spectral Temporal Graph Neural Network (StemGNN) to further improve the accuracy of multivariate time-series forecasting. StemGNN captures inter-series correlations and temporal dependencies textit{jointly} in the textit{spectral domain}. It combines Graph Fourier Transform (GFT) which models inter-series correlations and Discrete Fourier Transform (DFT) which models temporal dependencies in an end-to-end framework. After passing through GFT and DFT, the spectral representations hold clear patterns and can be predicted effectively by convolution and sequential learning modules. Moreover, StemGNN learns inter-series correlations automatically from the data without using pre-defined priors. We conduct extensive experiments on ten real-world datasets to demonstrate the effectiveness of StemGNN. Code is available at https://github.com/microsoft/StemGNN/
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