Jie Hu

Benhan Li, Shengdong Du, Tianrui Li et al.

Time-series forecasting plays an important role in many real-world scenarios, such as equipment life cycle forecasting, weather forecasting, and traffic flow forecasting. It can be observed from recent research that a variety of transformer-based models have shown remarkable results in time-series forecasting. However, there are still some issues that limit the ability of transformer-based models on time-series forecasting tasks: (i) learning directly on raw data is susceptible to noise due to its complex and unstable feature representation; (ii) the self-attention mechanisms pay insufficient attention to changing features and temporal dependencies. In order to solve these two problems, we propose a transformer-based differentially reconstructed attention model DRAformer. Specifically, DRAformer has the following innovations: (i) learning against differenced sequences, which preserves clear and stable sequence features by differencing and highlights the changing properties of sequences; (ii) the reconstructed attention: integrated distance attention exhibits sequential distance through a learnable Gaussian kernel, distributed difference attention calculates distribution difference by mapping the difference sequence to the adaptive feature space, and the combination of the two effectively focuses on the sequences with prominent associations; (iii) the reconstructed decoder input, which extracts sequence features by integrating variation information and temporal correlations, thereby obtaining a more comprehensive sequence representation. Extensive experiments on four large-scale datasets demonstrate that DRAformer outperforms state-of-the-art baselines.

Jie Hu, Yongquan Jiang, Yang Yan et al.

The application of superconducting materials is becoming more and more widespread. Traditionally, the discovery of new superconducting materials relies on the experience of experts and a large number of "trial and error" experiments, which not only increases the cost of experiments but also prolongs the period of discovering new superconducting materials. In recent years, machine learning has been increasingly applied to materials science. Based on this, this manuscript proposes the use of XGBoost model to identify superconductors; the first application of deep forest model to predict the critical temperature of superconductors; the first application of deep forest to predict the band gap of materials; and application of a new sub-network model to predict the Fermi energy level of materials. Compared with our known similar literature, all the above algorithms reach state-of-the-art. Finally, this manuscript uses the above models to search the COD public dataset and identify 50 candidate superconducting materials with possible critical temperature greater than 90 K.

Houchen Zuo, Yongquan Jiang, Yan Yang et al.

With the rapid development of artificial intelligence, the combination of material database and machine learning has driven the progress of material informatics. Because aluminum alloy is widely used in many fields, so it is significant to predict the properties of aluminum alloy. In this thesis, the data of Al-Cu-Mg-X (X: Zn, Zr, etc.) alloy are used to input the composition, aging conditions (time and temperature) and predict its hardness. An ensemble learning solution based on automatic machine learning and an attention mechanism introduced into the secondary learner of deep neural network are proposed respectively. The experimental results show that selecting the correct secondary learner can further improve the prediction accuracy of the model. This manuscript introduces the attention mechanism to improve the secondary learner based on deep neural network, and obtains a fusion model with better performance. The R-Square of the best model is 0.9697 and the MAE is 3.4518HV.

Jie Hu, Vishwaraj Doshi, Do Young Eun

Two-timescale stochastic approximation (TTSA) is among the most general frameworks for iterative stochastic algorithms. This includes well-known stochastic optimization methods such as SGD variants and those designed for bilevel or minimax problems, as well as reinforcement learning like the family of gradient-based temporal difference (GTD) algorithms. In this paper, we conduct an in-depth asymptotic analysis of TTSA under controlled Markovian noise via central limit theorem (CLT), uncovering the coupled dynamics of TTSA influenced by the underlying Markov chain, which has not been addressed by previous CLT results of TTSA only with Martingale difference noise. Building upon our CLT, we expand its application horizon of efficient sampling strategies from vanilla SGD to a wider TTSA context in distributed learning, thus broadening the scope of Hu et al. (2022). In addition, we leverage our CLT result to deduce the statistical properties of GTD algorithms with nonlinear function approximation using Markovian samples and show their identical asymptotic performance, a perspective not evident from current finite-time bounds.

Jie Hu, Vishwaraj Doshi, Do Young Eun

We study a family of distributed stochastic optimization algorithms where gradients are sampled by a token traversing a network of agents in random-walk fashion. Typically, these random-walks are chosen to be Markov chains that asymptotically sample from a desired target distribution, and play a critical role in the convergence of the optimization iterates. In this paper, we take a novel approach by replacing the standard linear Markovian token by one which follows a nonlinear Markov chain - namely the Self-Repellent Radom Walk (SRRW). Defined for any given 'base' Markov chain, the SRRW, parameterized by a positive scalar α, is less likely to transition to states that were highly visited in the past, thus the name. In the context of MCMC sampling on a graph, a recent breakthrough in Doshi et al. (2023) shows that the SRRW achieves O(1/α) decrease in the asymptotic variance for sampling. We propose the use of a 'generalized' version of the SRRW to drive token algorithms for distributed stochastic optimization in the form of stochastic approximation, termed SA-SRRW. We prove that the optimization iterate errors of the resulting SA-SRRW converge to zero almost surely and prove a central limit theorem, deriving the explicit form of the resulting asymptotic covariance matrix corresponding to iterate errors. This asymptotic covariance is always smaller than that of an algorithm driven by the base Markov chain and decreases at rate O(1/α^2) - the performance benefit of using SRRW thereby amplified in the stochastic optimization context. Empirical results support our theoretical findings.

Jiabin Tang, Tang Qian, Shijing Liu et al.

Accurate traffic forecasting, the foundation of intelligent transportation systems (ITS), has never been more significant than nowadays due to the prosperity of smart cities and urban computing. Recently, Graph Neural Network truly outperforms the traditional methods. Nevertheless, the most conventional GNN-based model works well while given a pre-defined graph structure. And the existing methods of defining the graph structures focus purely on spatial dependencies and ignore the temporal correlation. Besides, the semantics of the static pre-defined graph adjacency applied during the whole training progress is always incomplete, thus overlooking the latent topologies that may fine-tune the model. To tackle these challenges, we propose a new traffic forecasting framework -- Spatio-Temporal Latent Graph Structure Learning networks (ST-LGSL). More specifically, the model employs a graph generator based on Multilayer perceptron and K-Nearest Neighbor, which learns the latent graph topological information from the entire data considering both spatial and temporal dynamics. Furthermore, with the initialization of MLP-kNN based on ground-truth adjacency matrix and similarity metric in kNN, ST-LGSL aggregates the topologies focusing on geography and node similarity. Additionally, the generated graphs act as the input of the Spatio-temporal prediction module combined with the Diffusion Graph Convolutions and Gated Temporal Convolutions Networks. Experimental results on two benchmarking datasets in real world demonstrate that ST-LGSL outperforms various types of state-of-art baselines.