The field of quantitative analytics has transformed the world of sports over the last decade. To date, these analytic approaches are statistical at their core, characterizing what is and what was, while using this information to drive decisions about what to do in the future. However, as we often view team sports, such as soccer, hockey, and baseball, as pairwise win-lose encounters, it seems natural to model these as zero-sum games. We propose such a model for one important class of sports encounters: a baseball at-bat, which is a matchup between a pitcher and a batter. Specifically, we propose a novel model of this encounter as a zero-sum stochastic game, in which the goal of the batter is to get on base, an outcome the pitcher aims to prevent. The value of this game is the on-base percentage (i.e., the probability that the batter gets on base). In principle, this stochastic game can be solved using classical approaches. The main technical challenges lie in predicting the distribution of pitch locations as a function of pitcher intention, predicting the distribution of outcomes if the batter decides to swing at a pitch, and characterizing the level of patience of a particular batter. We address these challenges by proposing novel pitcher and batter representations as well as a novel deep neural network architecture for outcome prediction. Our experiments using Kaggle data from the 2015 to 2018 Major League Baseball seasons demonstrate the efficacy of the proposed approach.

Sentence Ordering refers to the task of rearranging a set of sentences into the appropriate coherent order. For this task, most previous approaches have explored global context-based end-to-end methods using Sequence Generation techniques. In this paper, we put forward a set of robust local and global context-based pairwise ordering strategies, leveraging which our prediction strategies outperform all previous works in this domain. Our proposed encoding method utilizes the paragraph's rich global contextual information to predict the pairwise order using novel transformer architectures. Analysis of the two proposed decoding strategies helps better explain error propagation in pairwise models. This approach is the most accurate pure pairwise model and our encoding strategy also significantly improves the performance of other recent approaches that use pairwise models, including the previous state-of-the-art, demonstrating the research novelty and generalizability of this work. Additionally, we show how the pre-training task for ALBERT helps it to significantly outperform BERT, despite having considerably lesser parameters. The extensive experimental results, architectural analysis and ablation studies demonstrate the effectiveness and superiority of the proposed models compared to the previous state-of-the-art, besides providing a much better understanding of the functioning of pairwise models.

Probing or fine-tuning (large-scale) pre-trained models results in state-of-the-art performance for many NLP tasks and, more recently, even for computer vision tasks when combined with image data. Unfortunately, these approaches also entail severe risks. In particular, large image datasets automatically scraped from the web may contain derogatory terms as categories and offensive images, and may also underrepresent specific classes. Consequently, there is an urgent need to carefully document datasets and curate their content. Unfortunately, this process is tedious and error-prone. We show that pre-trained transformers themselves provide a methodology for the automated curation of large-scale vision datasets. Based on human-annotated examples and the implicit knowledge of a CLIP based model, we demonstrate that one can select relevant prompts for rating the offensiveness of an image. Deep learning models yielded many improvements in several fields. Particularly, transfer learning from models pre-trained on large-scale supervised data has become common practice in many tasks both with and without sufficient data to train deep learning models. While approaches like semisupervised sequence learning (Dai & Le, 2015) and datasets such as ImageNet (Deng et al., 2009), especially the ImageNet-ILSVRC-2012 dataset with 1.2 million images, established pre-training approaches, in the following years, the training data size increased rapidly to billions of training examples (Brown et al., 2020; Jia et al., 2021), steadily improving the capabilities of deep models.

Hypercomplex neural networks have proved to reduce the overall number of parameters while ensuring valuable performances by leveraging the properties of Clifford algebras. Recently, hypercomplex linear layers have been further improved by involving efficient parameterized Kronecker products. In this paper, we define the parameterization of hypercomplex convolutional layers to develop lightweight and efficient large-scale convolutional models. Our method grasps the convolution rules and the filters organization directly from data without requiring a rigidly predefined domain structure to follow. The proposed approach is flexible to operate in any user-defined or tuned domain, from 1D to nD regardless of whether the algebra rules are preset. Such a malleability allows processing multidimensional inputs in their natural domain without annexing further dimensions, as done, instead, in quaternion neural networks for 3D inputs like color images. As a result, the proposed method operates with 1/n free parameters as regards its analog in the real domain. We demonstrate the versatility of this approach to multiple domains of application by performing experiments on various image datasets as well as audio datasets in which our method outperforms real and quaternionvalued counterparts. Recent state-of-the-art convolutional models achieved astonishing results in various fields of application by large-scaling the overall parameters amount (Karras et al., 2020; d'Ascoli et al., 2021; Dosovitskiy et al., 2021). Simultaneously, quaternion neural networks (QNNs) demonstrated to significantly reduce the number of parameters while still gaining comparable performances (Parcollet et al., 2019c; Grassucci et al., 2021a; Tay et al., 2019).

Molecular property prediction is one of the fastest-growing applications of deep learning with critical real-world impacts. Including 3D molecular structure as input to learned models improves their performance for many molecular tasks. However, this information is infeasible to compute at the scale required by several real-world applications. We propose pre-training a model to reason about the geometry of molecules given only their 2D molecular graphs. Using methods from self-supervised learning, we maximize the mutual information between 3D summary vectors and the representations of a Graph Neural Network (GNN) such that they contain latent 3D information. During fine-tuning on molecules with unknown geometry, the GNN still produces implicit 3D information and can use it to improve downstream tasks. We show that 3D pre-training provides significant improvements for a wide range of properties, such as a 22% average MAE reduction on eight quantum mechanical properties. Moreover, the learned representations can be effectively transferred between datasets in different molecular spaces. The understanding of molecular and quantum chemistry is a rapidly growing area for deep learning with models having direct real-world impacts in quantum chemistry (Dral, 2020), protein structure prediction (Jumper et al., 2021), materials science (Schmidt et al., 2019), and drug discovery (Stokes et al., 2020). In particular, for the task of molecular property prediction, GNNs have had great success (Yang et al., 2019). GNNs operate on the molecular graph by updating each atom's representation based on the atoms connected to it via covalent bonds. However, these models reason poorly about other important interatomic forces that depend on the atoms' relative positions in space. Previous works showed that using the atoms' 3D coordinates in space improves the accuracy of molecular property prediction (Schütt et al., 2017; Klicpera et al., 2020b; Liu et al., 2021; Klicpera et al., 2021). However, using classical molecular dynamics simulations to explicitly compute a molecule's geometry before predicting its properties is computationally intractable for many real-world applications. Even recent Machine Learning (ML) methods for conformation generation (Xu et al., 2021b; Shi et al., 2021; Ganea et al., 2021) are still too slow for large-scale applications. A GNN is pre-trained by maximizing the mutual information (MI) between its embedding of a 2D molecular graph and a representation capturing the 3D information that is produced by a separate network.

The main purpose of Mining Software Repositories (MSR) is to discover the latest enhancements and provide an insight into how to make improvements in a software project. In light of it, this paper updates the MSR findings of the original MSR Cookbook, by first conducting a systematic mapping study to elicit and analyze the state-of-the-art, and then proposing an extended version of the Cookbook. This extended Cookbook was built on four high-level themes, which were derived from the analysis of a list of 112 selected studies. Hence, it was used to consolidate the extended Cookbook as a contribution to practice and research in the following areas by: 1) including studies published in all available and relevant publication venues; 2) including and updating recommendations in all four high-level themes, with an increase of 84% in comments in this study when compared with the original MSR Cookbook; 3) summarizing the tools employed for each high-level theme; and 4) providing lessons learned for future studies. Thus, the extended Cookbook examined in this work can support new research projects, as upgraded recommendations and the lessons learned are available with the aid of samples and tools.

The increasing deployment of low-cost IoT sensor platforms in industry boosts the demand for anomaly detection solutions that fulfill two key requirements: minimal configuration effort and easy transferability across equipment. Recent advances in deep learning, especially long-short-term memory (LSTM) and autoencoders, offer promising methods for detecting anomalies in sensor data recordings. We compared autoencoders with various architectures such as deep neural networks (DNN), LSTMs and convolutional neural networks (CNN) using a simple benchmark dataset, which we generated by operating a peristaltic pump under various operating conditions and inducing anomalies manually. Our preliminary results indicate that a single model can detect anomalies under various operating conditions on a four-dimensional data set without any specific feature engineering for each operating condition. We consider this work as being the first step towards a generic anomaly detection method, which is applicable for a wide range of industrial equipment.

Social recommendation which aims to leverage social connections among users to enhance the recommendation performance. With the revival of deep learning techniques, many efforts have been devoted to developing various neural network-based social recommender systems, such as attention mechanisms and graph-based message passing frameworks. However, two important challenges have not been well addressed yet: (i) Most of existing social recommendation models fail to fully explore the multi-type user-item interactive behavior as well as the underlying cross-relational inter-dependencies. (ii) While the learned social state vector is able to model pair-wise user dependencies, it still has limited representation capacity in capturing the global social context across users. To tackle these limitations, we propose a new Social Recommendation framework with Hierarchical Graph Neural Networks (SR-HGNN). In particular, we first design a relation-aware reconstructed graph neural network to inject the cross-type collaborative semantics into the recommendation framework. In addition, we further augment SR-HGNN with a social relation encoder based on the mutual information learning paradigm between low-level user embeddings and high-level global representation, which endows SR-HGNN with the capability of capturing the global social contextual signals. Empirical results on three public benchmarks demonstrate that SR-HGNN significantly outperforms state-of-the-art recommendation methods. Source codes are available at: https://github.com/xhcdream/SR-HGNN.

Accurate forecasting of citywide traffic flow has been playing critical role in a variety of spatial-temporal mining applications, such as intelligent traffic control and public risk assessment. While previous work has made significant efforts to learn traffic temporal dynamics and spatial dependencies, two key limitations exist in current models. First, only the neighboring spatial correlations among adjacent regions are considered in most existing methods, and the global inter-region dependency is ignored. Additionally, these methods fail to encode the complex traffic transition regularities exhibited with time-dependent and multi-resolution in nature. To tackle these challenges, we develop a new traffic prediction framework-Spatial-Temporal Graph Diffusion Network (ST-GDN). In particular, ST-GDN is a hierarchically structured graph neural architecture which learns not only the local region-wise geographical dependencies, but also the spatial semantics from a global perspective. Furthermore, a multi-scale attention network is developed to empower ST-GDN with the capability of capturing multi-level temporal dynamics. Experiments on several real-life traffic datasets demonstrate that ST-GDN outperforms different types of state-of-the-art baselines. Source codes of implementations are available at https://github.com/jill001/ST-GDN.

Capturing users' precise preferences is of great importance in various recommender systems (eg., e-commerce platforms), which is the basis of how to present personalized interesting product lists to individual users. In spite of significant progress has been made to consider relations between users and items, most of the existing recommendation techniques solely focus on singular type of user-item interactions. However, user-item interactive behavior is often exhibited with multi-type (e.g., page view, add-to-favorite and purchase) and inter-dependent in nature. The overlook of multiplex behavior relations can hardly recognize the multi-modal contextual signals across different types of interactions, which limit the feasibility of current recommendation methods. To tackle the above challenge, this work proposes a Memory-Augmented Transformer Networks (MATN), to enable the recommendation with multiplex behavioral relational information, and joint modeling of type-specific behavioral context and type-wise behavior inter-dependencies, in a fully automatic manner. In our MATN framework, we first develop a transformer-based multi-behavior relation encoder, to make the learned interaction representations be reflective of the cross-type behavior relations. Furthermore, a memory attention network is proposed to supercharge MATN capturing the contextual signals of different types of behavior into the category-specific latent embedding space. Finally, a cross-behavior aggregation component is introduced to promote the comprehensive collaboration across type-aware interaction behavior representations, and discriminate their inherent contributions in assisting recommendations. Extensive experiments on two benchmark datasets and a real-world e-commence user behavior data demonstrate significant improvements obtained by MATN over baselines. Codes are available at: https://github.com/akaxlh/MATN.