Addressing Variable Dependency in GNN-based SAT Solving

Boolean satisfiability problem (SAT) is fundamental to many applications. Existing works have used graph neural networks (GNNs) for (approximate) SAT solving. Typical GNN-based end-to-end SAT solvers predict SAT solutions concurrently. We show that for a group of symmetric SAT problems, the concurrent prediction is guaranteed to produce a wrong answer because it neglects the dependency among Boolean variables in SAT problems. % We propose AsymSAT, a GNN-based architecture which integrates recurrent neural networks to generate dependent predictions for variable assignments. The experiment results show that dependent variable prediction extends the solving capability of the GNN-based method as it improves the number of solved SAT instances on large test sets.

Large Language Models as Master Key: Unlocking the Secrets of Materials Science with GPT

The amount of data has growing significance in exploring cutting-edge materials and a number of datasets have been generated either by hand or automated approaches. However, the materials science field struggles to effectively utilize the abundance of data, especially in applied disciplines where materials are evaluated based on device performance rather than their properties. This article presents a new natural language processing (NLP) task called structured information inference (SII) to address the complexities of information extraction at the device level in materials science. We accomplished this task by tuning GPT-3 on an existing perovskite solar cell FAIR (Findable, Accessible, Interoperable, Reusable) dataset with 91.8% F1-score and extended the dataset with data published since its release. The produced data is formatted and normalized, enabling its direct utilization as input in subsequent data analysis. This feature empowers materials scientists to develop models by selecting high-quality review articles within their domain. Additionally, we designed experiments to predict the electrical performance of solar cells and design materials or devices with targeted parameters using large language models (LLMs). Our results demonstrate comparable performance to traditional machine learning methods without feature selection, highlighting the potential of LLMs to acquire scientific knowledge and design new materials akin to materials scientists.

WISK: A Workload-aware Learned Index for Spatial Keyword Queries

Spatial objects often come with textual information, such as Points of Interest (POIs) with their descriptions, which are referred to as geo-textual data. To retrieve such data, spatial keyword queries that take into account both spatial proximity and textual relevance have been extensively studied. Existing indexes designed for spatial keyword queries are mostly built based on the geo-textual data without considering the distribution of queries already received. However, previous studies have shown that utilizing the known query distribution can improve the index structure for future query processing. In this paper, we propose WISK, a learned index for spatial keyword queries, which self-adapts for optimizing querying costs given a query workload. One key challenge is how to utilize both structured spatial attributes and unstructured textual information during learning the index. We first divide the data objects into partitions, aiming to minimize the processing costs of the given query workload. We prove the NP-hardness of the partitioning problem and propose a machine learning model to find the optimal partitions. Then, to achieve more pruning power, we build a hierarchical structure based on the generated partitions in a bottom-up manner with a reinforcement learning-based approach. We conduct extensive experiments on real-world datasets and query workloads with various distributions, and the results show that WISK outperforms all competitors, achieving up to 8x speedup in querying time with comparable storage overhead.

LabelPrompt: Effective Prompt-based Learning for Relation Classification

Recently, prompt-based learning has become a very popular solution in many Natural Language Processing (NLP) tasks by inserting a template into model input, which converts the task into a cloze-style one to smoothing out differences between the Pre-trained Language Model (PLM) and the current task. But in the case of relation classification, it is difficult to map the masked output to the relation labels because of its abundant semantic information, e.g. org:founded_by''. Therefore, a pre-trained model still needs enough labelled data to fit the relations. To mitigate this challenge, in this paper, we present a novel prompt-based learning method, namely LabelPrompt, for the relation classification task. It is an extraordinary intuitive approach by a motivation: ``GIVE MODEL CHOICES!''. First, we define some additional tokens to represent the relation labels, which regards these tokens as the verbalizer with semantic initialisation and constructs them with a prompt template method. Then we revisit the inconsistency of the predicted relation and the given entities, an entity-aware module with the thought of contrastive learning is designed to mitigate the problem. At last, we apply an attention query strategy to self-attention layers to resolve two types of tokens, prompt tokens and sequence tokens. The proposed strategy effectively improves the adaptation capability of prompt-based learning in the relation classification task when only a small labelled data is available. Extensive experimental results obtained on several bench-marking datasets demonstrate the superiority of the proposed LabelPrompt method, particularly in the few-shot scenario.

Towards Higher-order Topological Consistency for Unsupervised Network Alignment

Network alignment task, which aims to identify corresponding nodes in different networks, is of great significance for many subsequent applications. Without the need for labeled anchor links, unsupervised alignment methods have been attracting more and more attention. However, the topological consistency assumptions defined by existing methods are generally low-order and less accurate because only the edge-indiscriminative topological pattern is considered, which is especially risky in an unsupervised setting. To reposition the focus of the alignment process from low-order to higher-order topological consistency, in this paper, we propose a fully unsupervised network alignment framework named HTC. The proposed higher-order topological consistency is formulated based on edge orbits, which is merged into the information aggregation process of a graph convolutional network so that the alignment consistencies are transformed into the similarity of node embeddings. Furthermore, the encoder is trained to be multi-orbit-aware and then be refined to identify more trusted anchor links. Node correspondence is comprehensively evaluated by integrating all different orders of consistency. {In addition to sound theoretical analysis, the superiority of the proposed method is also empirically demonstrated through extensive experimental evaluation. On three pairs of real-world datasets and two pairs of synthetic datasets, our HTC consistently outperforms a wide variety of unsupervised and supervised methods with the least or comparable time consumption. It also exhibits robustness to structural noise as a result of our multi-orbit-aware training mechanism.

GSim: A Graph Neural Network based Relevance Measure for Heterogeneous Graphs

Heterogeneous graphs, which contain nodes and edges of multiple types, are prevalent in various domains, including bibliographic networks, social media, and knowledge graphs. As a fundamental task in analyzing heterogeneous graphs, relevance measure aims to calculate the relevance between two objects of different types, which has been used in many applications such as web search, recommendation, and community detection. Most of existing relevance measures focus on homogeneous networks where objects are of the same type, and a few measures are developed for heterogeneous graphs, but they often need the pre-defined meta-path. Defining meaningful meta-paths requires much domain knowledge, which largely limits their applications, especially on schema-rich heterogeneous graphs like knowledge graphs. Recently, the Graph Neural Network (GNN) has been widely applied in many graph mining tasks, but it has not been applied for measuring relevance yet. To address the aforementioned problems, we propose a novel GNN-based relevance measure, namely GSim. Specifically, we first theoretically analyze and show that GNN is effective for measuring the relevance of nodes in the graph. We then propose a context path-based graph neural network (CP-GNN) to automatically leverage the semantics in heterogeneous graphs. Moreover, we exploit CP-GNN to support relevance measures between two objects of any type. Extensive experiments demonstrate that GSim outperforms existing measures.

iEmoTTS: Toward Robust Cross-Speaker Emotion Transfer and Control for Speech Synthesis based on Disentanglement between Prosody and Timbre

The capability of generating speech with specific type of emotion is desired for many applications of human-computer interaction. Cross-speaker emotion transfer is a common approach to generating emotional speech when speech with emotion labels from target speakers is not available for model training. This paper presents a novel cross-speaker emotion transfer system, named iEmoTTS. The system is composed of an emotion encoder, a prosody predictor, and a timbre encoder. The emotion encoder extracts the identity of emotion type as well as the respective emotion intensity from the mel-spectrogram of input speech. The emotion intensity is measured by the posterior probability that the input utterance carries that emotion. The prosody predictor is used to provide prosodic features for emotion transfer. The timber encoder provides timbre-related information for the system. Unlike many other studies which focus on disentangling speaker and style factors of speech, the iEmoTTS is designed to achieve cross-speaker emotion transfer via disentanglement between prosody and timbre. Prosody is considered as the main carrier of emotion-related speech characteristics and timbre accounts for the essential characteristics for speaker identification. Zero-shot emotion transfer, meaning that speech of target speakers are not seen in model training, is also realized with iEmoTTS. Extensive experiments of subjective evaluation have been carried out. The results demonstrate the effectiveness of iEmoTTS as compared with other recently proposed systems of cross-speaker emotion transfer. It is shown that iEmoTTS can produce speech with designated emotion type and controllable emotion intensity. With appropriate information bottleneck capacity, iEmoTTS is able to effectively transfer emotion information to a new speaker. Audio samples are publicly available\footnote{https://patrick-g-zhang.github.io/iemotts/}.

Reinforcement Learning Based Query Vertex Ordering Model for Subgraph Matching

Subgraph matching is a fundamental problem in various fields that use graph structured data. Subgraph matching algorithms enumerate all isomorphic embeddings of a query graph q in a data graph G. An important branch of matching algorithms exploit the backtracking search approach which recursively extends intermediate results following a matching order of query vertices. It has been shown that the matching order plays a critical role in time efficiency of these backtracking based subgraph matching algorithms. In recent years, many advanced techniques for query vertex ordering (i.e., matching order generation) have been proposed to reduce the unpromising intermediate results according to the preset heuristic rules. In this paper, for the first time we apply the Reinforcement Learning (RL) and Graph Neural Networks (GNNs) techniques to generate the high-quality matching order for subgraph matching algorithms. Instead of using the fixed heuristics to generate the matching order, our model could capture and make full use of the graph information, and thus determine the query vertex order with the adaptive learning-based rule that could significantly reduces the number of redundant enumerations. With the help of the reinforcement learning framework, our model is able to consider the long-term benefits rather than only consider the local information at current ordering step.Extensive experiments on six real-life data graphs demonstrate that our proposed matching order generation technique could reduce up to two orders of magnitude of query processing time compared to the state-of-the-art algorithms.

GridTuner: Reinvestigate Grid Size Selection for Spatiotemporal Prediction Models [Technical Report]

With the development of traffic prediction technology, spatiotemporal prediction models have attracted more and more attention from academia communities and industry. However, most existing researches focus on reducing model's prediction error but ignore the error caused by the uneven distribution of spatial events within a region. In this paper, we study a region partitioning problem, namely optimal grid size selection problem (OGSS), which aims to minimize the real error of spatiotemporal prediction models by selecting the optimal grid size. In order to solve OGSS, we analyze the upper bound of real error of spatiotemporal prediction models and minimize the real error by minimizing its upper bound. Through in-depth analysis, we find that the upper bound of real error will decrease then increase when the number of model grids increase from 1 to the maximum allowed value. Then, we propose two algorithms, namely Ternary Search and Iterative Method, to automatically find the optimal grid size. Finally, the experiments verify that the error of prediction has the same trend as its upper bound, and the change trend of the upper bound of real error with respect to the increase of the number of model grids will decrease then increase. Meanwhile, in a case study, by selecting the optimal grid size, the order dispatching results of a state-of-the-art prediction-based algorithm can be improved up to 13.6%, which shows the effectiveness of our methods on tuning the region partition for spatiotemporal prediction models.

Detecting Communities from Heterogeneous Graphs: A Context Path-based Graph Neural Network Model

Community detection, aiming to group the graph nodes into clusters with dense inner-connection, is a fundamental graph mining task. Recently, it has been studied on the heterogeneous graph, which contains multiple types of nodes and edges, posing great challenges for modeling the high-order relationship between nodes. With the surge of graph embedding mechanism, it has also been adopted to community detection. A remarkable group of works use the meta-path to capture the high-order relationship between nodes and embed them into nodes' embedding to facilitate community detection. However, defining meaningful meta-paths requires much domain knowledge, which largely limits their applications, especially on schema-rich heterogeneous graphs like knowledge graphs. To alleviate this issue, in this paper, we propose to exploit the context path to capture the high-order relationship between nodes, and build a Context Path-based Graph Neural Network (CP-GNN) model. It recursively embeds the high-order relationship between nodes into the node embedding with attention mechanisms to discriminate the importance of different relationships. By maximizing the expectation of the co-occurrence of nodes connected by context paths, the model can learn the nodes' embeddings that both well preserve the high-order relationship between nodes and are helpful for community detection. Extensive experimental results on four real-world datasets show that CP-GNN outperforms the state-of-the-art community detection methods.