Liang Zhao

Liang Zhao, Limin Wang

Detectors trained with massive labeled data often exhibit dramatic performance degradation in some particular scenarios with data distribution gap. To alleviate this problem of domain shift, conventional wisdom typically concentrates solely on reducing the discrepancy between the source and target domains via attached domain classifiers, yet ignoring the difficulty of such transferable features in coping with both classification and localization subtasks in object detection. To address this issue, in this paper, we propose Task-specific Inconsistency Alignment (TIA), by developing a new alignment mechanism in separate task spaces, improving the performance of the detector on both subtasks. Specifically, we add a set of auxiliary predictors for both classification and localization branches, and exploit their behavioral inconsistencies as finer-grained domain-specific measures. Then, we devise task-specific losses to align such cross-domain disagreement of both subtasks. By optimizing them individually, we are able to well approximate the category- and boundary-wise discrepancies in each task space, and therefore narrow them in a decoupled manner. TIA demonstrates superior results on various scenarios to the previous state-of-the-art methods. It is also observed that both the classification and localization capabilities of the detector are sufficiently strengthened, further demonstrating the effectiveness of our TIA method. Code and trained models are publicly available at https://github.com/MCG-NJU/TIA.

Junxiang Wang, Junji Jiang, Liang Zhao

Localizing the source of graph diffusion phenomena, such as misinformation propagation, is an important yet extremely challenging task. Existing source localization models typically are heavily dependent on the hand-crafted rules. Unfortunately, a large portion of the graph diffusion process for many applications is still unknown to human beings so it is important to have expressive models for learning such underlying rules automatically. This paper aims to establish a generic framework of invertible graph diffusion models for source localization on graphs, namely Invertible Validity-aware Graph Diffusion (IVGD), to handle major challenges including 1) Difficulty to leverage knowledge in graph diffusion models for modeling their inverse processes in an end-to-end fashion, 2) Difficulty to ensure the validity of the inferred sources, and 3) Efficiency and scalability in source inference. Specifically, first, to inversely infer sources of graph diffusion, we propose a graph residual scenario to make existing graph diffusion models invertible with theoretical guarantees; second, we develop a novel error compensation mechanism that learns to offset the errors of the inferred sources. Finally, to ensure the validity of the inferred sources, a new set of validity-aware layers have been devised to project inferred sources to feasible regions by flexibly encoding constraints with unrolled optimization techniques. A linearization technique is proposed to strengthen the efficiency of our proposed layers. The convergence of the proposed IVGD is proven theoretically. Extensive experiments on nine real-world datasets demonstrate that our proposed IVGD outperforms state-of-the-art comparison methods significantly. We have released our code at https://github.com/xianggebenben/IVGD.

Yangkun Chen, Joseph Suarez, Junjie Zhang et al.

We present the results of the second Neural MMO challenge, hosted at IJCAI 2022, which received 1600+ submissions. This competition targets robustness and generalization in multi-agent systems: participants train teams of agents to complete a multi-task objective against opponents not seen during training. The competition combines relatively complex environment design with large numbers of agents in the environment. The top submissions demonstrate strong success on this task using mostly standard reinforcement learning (RL) methods combined with domain-specific engineering. We summarize the competition design and results and suggest that, as an academic community, competitions may be a powerful approach to solving hard problems and establishing a solid benchmark for algorithms. We will open-source our benchmark including the environment wrapper, baselines, a visualization tool, and selected policies for further research.

Zheng Zhang, Junxiang Wang, Liang Zhao

Graph Neural Networks (GNNs) have achieved great success in representing data with dependencies by recursively propagating and aggregating messages along the edges. However, edges in real-world graphs often have varying degrees of difficulty, and some edges may even be noisy to the downstream tasks. Therefore, existing GNNs may lead to suboptimal learned representations because they usually treat every edge in the graph equally. On the other hand, Curriculum Learning (CL), which mimics the human learning principle of learning data samples in a meaningful order, has been shown to be effective in improving the generalization ability and robustness of representation learners by gradually proceeding from easy to more difficult samples during training. Unfortunately, existing CL strategies are designed for independent data samples and cannot trivially generalize to handle data dependencies. To address these issues, we propose a novel CL strategy to gradually incorporate more edges into training according to their difficulty from easy to hard, where the degree of difficulty is measured by how well the edges are expected given the model training status. We demonstrate the strength of our proposed method in improving the generalization ability and robustness of learned representations through extensive experiments on nine synthetic datasets and nine real-world datasets. The code for our proposed method is available at https://github.com/rollingstonezz/Curriculum_learning_for_GNNs.

Hu Cao, Jingye Li, Fangfang Su et al.

Event extraction (EE) is an essential task of information extraction, which aims to extract structured event information from unstructured text. Most prior work focuses on extracting flat events while neglecting overlapped or nested ones. A few models for overlapped and nested EE includes several successive stages to extract event triggers and arguments,which suffer from error propagation. Therefore, we design a simple yet effective tagging scheme and model to formulate EE as word-word relation recognition, called OneEE. The relations between trigger or argument words are simultaneously recognized in one stage with parallel grid tagging, thus yielding a very fast event extraction speed. The model is equipped with an adaptive event fusion module to generate event-aware representations and a distance-aware predictor to integrate relative distance information for word-word relation recognition, which are empirically demonstrated to be effective mechanisms. Experiments on 3 overlapped and nested EE benchmarks, namely FewFC, Genia11, and Genia13, show that OneEE achieves the state-of-the-art (SOTA) results. Moreover, the inference speed of OneEE is faster than those of baselines in the same condition, and can be further substantially improved since it supports parallel inference.

Chen Ling, Xujiang Zhao, Xuchao Zhang et al.

Open Information Extraction (OIE) task aims at extracting structured facts from unstructured text, typically in the form of (subject, relation, object) triples. Despite the potential of large language models (LLMs) like ChatGPT as a general task solver, they lag behind state-of-the-art (supervised) methods in OIE tasks due to two key issues. First, LLMs struggle to distinguish irrelevant context from relevant relations and generate structured output due to the restrictions on fine-tuning the model. Second, LLMs generates responses autoregressively based on probability, which makes the predicted relations lack confidence. In this paper, we assess the capabilities of LLMs in improving the OIE task. Particularly, we propose various in-context learning strategies to enhance LLM's instruction-following ability and a demonstration uncertainty quantification module to enhance the confidence of the generated relations. Our experiments on three OIE benchmark datasets show that our approach holds its own against established supervised methods, both quantitatively and qualitatively.

Zheng Chai, Guangji Bai, Liang Zhao et al.

Despite the recent success of Graph Neural Networks, it remains challenging to train a GNN on large graphs with millions of nodes and billions of edges, which are prevalent in many graph-based applications. Traditional sampling-based methods accelerate GNN training by dropping edges and nodes, which impairs the graph integrity and model performance. Differently, distributed GNN algorithms accelerate GNN training by utilizing multiple computing devices and can be classified into two types: "partition-based" methods enjoy low communication costs but suffer from information loss due to dropped edges, while "propagation-based" methods avoid information loss but suffer from prohibitive communication overhead caused by the neighbor explosion. To jointly address these problems, this paper proposes DIGEST (DIstributed Graph reprEsentation SynchronizaTion), a novel distributed GNN training framework that synergizes the complementary strength of both categories of existing methods. We propose to allow each device to utilize the stale representations of its neighbors in other subgraphs during subgraph parallel training. This way, our method preserves global graph information from neighbors to avoid information loss and reduce communication costs. Our convergence analysis demonstrates that DIGEST enjoys a state-of-the-art convergence rate. Extensive experimental evaluation on large, real-world graph datasets shows that DIGEST achieves up to 21.82 speedups without compromising performance compared to state-of-the-art distributed GNN training frameworks.

Jiang Liu, Donghong Ji, Jingye Li et al.

So far, discontinuous named entity recognition (NER) has received increasing research attention and many related methods have surged such as hypergraph-based methods, span-based methods, and sequence-to-sequence (Seq2Seq) methods, etc. However, these methods more or less suffer from some problems such as decoding ambiguity and efficiency, which limit their performance. Recently, grid-tagging methods, which benefit from the flexible design of tagging systems and model architectures, have shown superiority to adapt for various information extraction tasks. In this paper, we follow the line of such methods and propose a competitive grid-tagging model for discontinuous NER. We call our model TOE because we incorporate two kinds of Tag-Oriented Enhancement mechanisms into a state-of-the-art (SOTA) grid-tagging model that casts the NER problem into word-word relationship prediction. First, we design a Tag Representation Embedding Module (TREM) to force our model to consider not only word-word relationships but also word-tag and tag-tag relationships. Concretely, we construct tag representations and embed them into TREM, so that TREM can treat tag and word representations as queries/keys/values and utilize self-attention to model their relationships. On the other hand, motivated by the Next-Neighboring-Word (NNW) and Tail-Head-Word (THW) tags in the SOTA model, we add two new symmetric tags, namely Previous-Neighboring-Word (PNW) and Head-Tail-Word (HTW), to model more fine-grained word-word relationships and alleviate error propagation from tag prediction. In the experiments of three benchmark datasets, namely CADEC, ShARe13 and ShARe14, our TOE model pushes the SOTA results by about 0.83%, 0.05% and 0.66% in F1, demonstrating its effectiveness.

Han Yi Chiu, Liang Zhao, Anqi Wu

The decoding of brain neural networks has been an intriguing topic in neuroscience for a well-rounded understanding of different types of brain disorders and cognitive stimuli. Integrating different types of connectivity, e.g., Functional Connectivity (FC) and Structural Connectivity (SC), from multi-modal imaging techniques can take their complementary information into account and therefore have the potential to get better decoding capability. However, traditional approaches for integrating FC and SC overlook the dynamical variations, which stand a great chance to over-generalize the brain neural network. In this paper, we propose a Joint kernel Graph Attention Network (JGAT), which is a new multi-modal temporal graph attention network framework. It integrates the data from functional Magnetic Resonance Images (fMRI) and Diffusion Weighted Imaging (DWI) while preserving the dynamic information at the same time. We conduct brain-decoding tasks with our JGAT on four independent datasets: three of 7T fMRI datasets from the Human Connectome Project (HCP) and one from animal neural recordings. Furthermore, with Attention Scores (AS) and Frame Scores (FS) computed and learned from the model, we can locate several informative temporal segments and build meaningful dynamical pathways along the temporal domain for the HCP datasets. The URL to the code of JGAT model: https://github.com/BRAINML-GT/JGAT.

En Yu, Liang Zhao, Yana Wei et al.

Humans possess the remarkable ability to foresee the future to a certain extent based on present observations, a skill we term as foresight minds. However, this capability remains largely under explored within existing Multimodal Large Language Models (MLLMs), hindering their capacity to learn the fundamental principles of how things operate and the intentions behind the observed subjects. To address this issue, we introduce the integration of future modeling into the existing learning frameworks of MLLMs. By utilizing the subject trajectory, a highly structured representation of a consecutive frame sequence, as a learning objective, we aim to bridge the gap between the past and the future. We propose two innovative methods to empower MLLMs with foresight minds, Foresight Pre-Training (FPT) and Foresight Instruction-Tuning (FIT), which are inspired by the modern learning paradigm of LLMs. Specifically, FPT jointly training various tasks centered on trajectories, enabling MLLMs to learn how to attend and predict entire trajectories from a given initial observation. Then, FIT requires MLLMs to first predict trajectories of related objects and then reason about potential future events based on them. Aided by FPT and FIT, we build a novel and unified MLLM named Merlin that supports multi-images input and analysis about potential actions of multiple objects for the future reasoning. Experimental results show Merlin powerful foresight minds with impressive performance on both future reasoning and visual comprehension tasks.

Yuyang Gao, Siyi Gu, Junji Jiang et al.

As the societal impact of Deep Neural Networks (DNNs) grows, the goals for advancing DNNs become more complex and diverse, ranging from improving a conventional model accuracy metric to infusing advanced human virtues such as fairness, accountability, transparency (FaccT), and unbiasedness. Recently, techniques in Explainable Artificial Intelligence (XAI) are attracting considerable attention, and have tremendously helped Machine Learning (ML) engineers in understanding AI models. However, at the same time, we started to witness the emerging need beyond XAI among AI communities; based on the insights learned from XAI, how can we better empower ML engineers in steering their DNNs so that the model's reasonableness and performance can be improved as intended? This article provides a timely and extensive literature overview of the field Explanation-Guided Learning (EGL), a domain of techniques that steer the DNNs' reasoning process by adding regularization, supervision, or intervention on model explanations. In doing so, we first provide a formal definition of EGL and its general learning paradigm. Secondly, an overview of the key factors for EGL evaluation, as well as summarization and categorization of existing evaluation procedures and metrics for EGL are provided. Finally, the current and potential future application areas and directions of EGL are discussed, and an extensive experimental study is presented aiming at providing comprehensive comparative studies among existing EGL models in various popular application domains, such as Computer Vision (CV) and Natural Language Processing (NLP) domains.

Jiang Liu, Hao Fei, Fei Li et al.

Few-shot named entity recognition (NER) exploits limited annotated instances to identify named mentions. Effectively transferring the internal or external resources thus becomes the key to few-shot NER. While the existing prompt tuning methods have shown remarkable few-shot performances, they still fail to make full use of knowledge. In this work, we investigate the integration of rich knowledge to prompt tuning for stronger few-shot NER. We propose incorporating the deep prompt tuning framework with threefold knowledge (namely TKDP), including the internal 1) context knowledge and the external 2) label knowledge & 3) sememe knowledge. TKDP encodes the three feature sources and incorporates them into the soft prompt embeddings, which are further injected into an existing pre-trained language model to facilitate predictions. On five benchmark datasets, our knowledge-enriched model boosts by at most 11.53% F1 over the raw deep prompt method, and significantly outperforms 8 strong-performing baseline systems in 5-/10-/20-shot settings, showing great potential in few-shot NER. Our TKDP can be broadly adapted to other few-shot tasks without effort.

Shiyu Wang, Yuanqi Du, Xiaojie Guo et al.

Designing and generating new data under targeted properties has been attracting various critical applications such as molecule design, image editing and speech synthesis. Traditional hand-crafted approaches heavily rely on expertise experience and intensive human efforts, yet still suffer from the insufficiency of scientific knowledge and low throughput to support effective and efficient data generation. Recently, the advancement of deep learning has created the opportunity for expressive methods to learn the underlying representation and properties of data. Such capability provides new ways of determining the mutual relationship between the structural patterns and functional properties of the data and leveraging such relationships to generate structural data, given the desired properties. This article is a systematic review that explains this promising research area, commonly known as controllable deep data generation. First, the article raises the potential challenges and provides preliminaries. Then the article formally defines controllable deep data generation, proposes a taxonomy on various techniques and summarizes the evaluation metrics in this specific domain. After that, the article introduces exciting applications of controllable deep data generation, experimentally analyzes and compares existing works. Finally, this article highlights the promising future directions of controllable deep data generation and identifies five potential challenges.

Jianshen Zhu, Naveed Ahmed Azam, Shengjuan Cao et al.

A novel framework has recently been proposed for designing the molecular structure of chemical compounds with a desired chemical property, where design of novel drugs is an important topic in bioinformatics and chemo-informatics. The framework infers a desired chemical graph by solving a mixed integer linear program (MILP) that simulates the computation process of a feature function defined by a two-layered model on chemical graphs and a prediction function constructed by a machine learning method. A set of graph theoretical descriptors in the feature function plays a key role to derive a compact formulation of such an MILP. To improve the learning performance of prediction functions in the framework maintaining the compactness of the MILP, this paper utilizes the product of two of those descriptors as a new descriptor and then designs a method of reducing the number of descriptors. The results of our computational experiments suggest that the proposed method improved the learning performance for many chemical properties and can infer a chemical structure with up to 50 non-hydrogen atoms.

Taha ValizadehAslani, Yiwen Shi, Jing Wang et al.

Classification on long-tailed distributed data is a challenging problem, which suffers from serious class-imbalance and hence poor performance on tail classes with only a few samples. Owing to this paucity of samples, learning on the tail classes is especially challenging for the fine-tuning when transferring a pretrained model to a downstream task. In this work, we present a simple modification of standard fine-tuning to cope with these challenges. Specifically, we propose a two-stage fine-tuning: we first fine-tune the final layer of the pretrained model with class-balanced reweighting loss, and then we perform the standard fine-tuning. Our modification has several benefits: (1) it leverages pretrained representations by only fine-tuning a small portion of the model parameters while keeping the rest untouched; (2) it allows the model to learn an initial representation of the specific task; and importantly (3) it protects the learning of tail classes from being at a disadvantage during the model updating. We conduct extensive experiments on synthetic datasets of both two-class and multi-class tasks of text classification as well as a real-world application to ADME (i.e., absorption, distribution, metabolism, and excretion) semantic labeling. The experimental results show that the proposed two-stage fine-tuning outperforms both fine-tuning with conventional loss and fine-tuning with a reweighting loss on the above datasets.

Chen Ling, Junji Jiang, Junxiang Wang et al.

Graph diffusion problems such as the propagation of rumors, computer viruses, or smart grid failures are ubiquitous and societal. Hence it is usually crucial to identify diffusion sources according to the current graph diffusion observations. Despite its tremendous necessity and significance in practice, source localization, as the inverse problem of graph diffusion, is extremely challenging as it is ill-posed: different sources may lead to the same graph diffusion patterns. Different from most traditional source localization methods, this paper focuses on a probabilistic manner to account for the uncertainty of different candidate sources. Such endeavors require overcoming challenges including 1) the uncertainty in graph diffusion source localization is hard to be quantified; 2) the complex patterns of the graph diffusion sources are difficult to be probabilistically characterized; 3) the generalization under any underlying diffusion patterns is hard to be imposed. To solve the above challenges, this paper presents a generic framework: Source Localization Variational AutoEncoder (SL-VAE) for locating the diffusion sources under arbitrary diffusion patterns. Particularly, we propose a probabilistic model that leverages the forward diffusion estimation model along with deep generative models to approximate the diffusion source distribution for quantifying the uncertainty. SL-VAE further utilizes prior knowledge of the source-observation pairs to characterize the complex patterns of diffusion sources by a learned generative prior. Lastly, a unified objective that integrates the forward diffusion estimation model is derived to enforce the model to generalize under arbitrary diffusion patterns. Extensive experiments are conducted on 7 real-world datasets to demonstrate the superiority of SL-VAE in reconstructing the diffusion sources by excelling other methods on average 20% in AUC score.

Chen Ling, Tanmoy Chowdhury, Junji Jiang et al.

Analogical reasoning is the process of discovering and mapping correspondences from a target subject to a base subject. As the most well-known computational method of analogical reasoning, Structure-Mapping Theory (SMT) abstracts both target and base subjects into relational graphs and forms the cognitive process of analogical reasoning by finding a corresponding subgraph (i.e., correspondence) in the target graph that is aligned with the base graph. However, incorporating deep learning for SMT is still under-explored due to several obstacles: 1) the combinatorial complexity of searching for the correspondence in the target graph; 2) the correspondence mining is restricted by various cognitive theory-driven constraints. To address both challenges, we propose a novel framework for Analogical Reasoning (DeepGAR) that identifies the correspondence between source and target domains by assuring cognitive theory-driven constraints. Specifically, we design a geometric constraint embedding space to induce subgraph relation from node embeddings for efficient subgraph search. Furthermore, we develop novel learning and optimization strategies that could end-to-end identify correspondences that are strictly consistent with constraints driven by the cognitive theory. Extensive experiments are conducted on synthetic and real-world datasets to demonstrate the effectiveness of the proposed DeepGAR over existing methods.

Jianshen Zhu, Naveed Ahmed Azam, Kazuya Haraguchi et al.

A novel framework for designing the molecular structure of chemical compounds with a desired chemical property has recently been proposed. The framework infers a desired chemical graph by solving a mixed integer linear program (MILP) that simulates the computation process of a feature function defined by a two-layered model on chemical graphs and a prediction function constructed by a machine learning method. To improve the learning performance of prediction functions in the framework, we design a method that splits a given data set $\mathcal{C}$ into two subsets $\mathcal{C}^{(i)},i=1,2$ by a hyperplane in a chemical space so that most compounds in the first (resp., second) subset have observed values lower (resp., higher) than a threshold $θ$. We construct a prediction function $ψ$ to the data set $\mathcal{C}$ by combining prediction functions $ψ_i,i=1,2$ each of which is constructed on $\mathcal{C}^{(i)}$ independently. The results of our computational experiments suggest that the proposed method improved the learning performance for several chemical properties to which a good prediction function has been difficult to construct.

Guangji Bai, Chen Ling, Liang Zhao

Temporal domain generalization is a promising yet extremely challenging area where the goal is to learn models under temporally changing data distributions and generalize to unseen data distributions following the trends of the change. The advancement of this area is challenged by: 1) characterizing data distribution drift and its impacts on models, 2) expressiveness in tracking the model dynamics, and 3) theoretical guarantee on the performance. To address them, we propose a Temporal Domain Generalization with Drift-Aware Dynamic Neural Network (DRAIN) framework. Specifically, we formulate the problem into a Bayesian framework that jointly models the relation between data and model dynamics. We then build a recurrent graph generation scenario to characterize the dynamic graph-structured neural networks learned across different time points. It captures the temporal drift of model parameters and data distributions and can predict models in the future without the presence of future data. In addition, we explore theoretical guarantees of the model performance under the challenging temporal DG setting and provide theoretical analysis, including uncertainty and generalization error. Finally, extensive experiments on several real-world benchmarks with temporal drift demonstrate the effectiveness and efficiency of the proposed method.

Yuntong Hu, Zheng Zhang, Liang Zhao

Large language models (LLMs) have achieved impressive performance on many natural language processing tasks. However, their capabilities on graph-structured data remain relatively unexplored. In this paper, we conduct a series of experiments benchmarking leading LLMs on diverse graph prediction tasks spanning node, edge, and graph levels. We aim to assess whether LLMs can effectively process graph data and leverage topological structures to enhance performance, compared to specialized graph neural networks. Through varied prompt formatting and task/dataset selection, we analyze how well LLMs can interpret and utilize graph structures. By comparing LLMs' performance with specialized graph models, we offer insights into the strengths and limitations of employing LLMs for graph analytics. Our findings provide insights into LLMs' capabilities and suggest avenues for further exploration in applying them to graph analytics.

Guangji Bai, Ziyang Yu, Zheng Chai et al.

Despite the recent success of Graph Neural Networks (GNNs), it remains challenging to train GNNs on large-scale graphs due to neighbor explosions. As a remedy, distributed computing becomes a promising solution by leveraging abundant computing resources (e.g., GPU). However, the node dependency of graph data increases the difficulty of achieving high concurrency in distributed GNN training, which suffers from the massive communication overhead. To address it, Historical value approximation is deemed a promising class of distributed training techniques. It utilizes an offline memory to cache historical information (e.g., node embedding) as an affordable approximation of the exact value and achieves high concurrency. However, such benefits come at the cost of involving dated training information, leading to staleness, imprecision, and convergence issues. To overcome these challenges, this paper proposes SAT (Staleness-Alleviated Training), a novel and scalable distributed GNN training framework that reduces the embedding staleness adaptively. The key idea of SAT is to model the GNN's embedding evolution as a temporal graph and build a model upon it to predict future embedding, which effectively alleviates the staleness of the cached historical embedding. We propose an online algorithm to train the embedding predictor and the distributed GNN alternatively and further provide a convergence analysis. Empirically, we demonstrate that SAT can effectively reduce embedding staleness and thus achieve better performance and convergence speed on multiple large-scale graph datasets.

Guangji Bai, Chen Ling, Yuyang Gao et al.

Continual Learning is considered a key step toward next-generation Artificial Intelligence. Among various methods, replay-based approaches that maintain and replay a small episodic memory of previous samples are one of the most successful strategies against catastrophic forgetting. However, since forgetting is inevitable given bounded memory and unbounded tasks, how to forget is a problem continual learning must address. Therefore, beyond simply avoiding catastrophic forgetting, an under-explored issue is how to reasonably forget while ensuring the merits of human memory, including 1. storage efficiency, 2. generalizability, and 3. some interpretability. To achieve these simultaneously, our paper proposes a new saliency-augmented memory completion framework for continual learning, inspired by recent discoveries in memory completion separation in cognitive neuroscience. Specifically, we innovatively propose to store the part of the image most important to the tasks in episodic memory by saliency map extraction and memory encoding. When learning new tasks, previous data from memory are inpainted by an adaptive data generation module, which is inspired by how humans complete episodic memory. The module's parameters are shared across all tasks and it can be jointly trained with a continual learning classifier as bilevel optimization. Extensive experiments on several continual learning and image classification benchmarks demonstrate the proposed method's effectiveness and efficiency.

Tanmoy Chowdhury, Chen Ling, Xuchao Zhang et al.

Knowledge-enhanced neural machine reasoning has garnered significant attention as a cutting-edge yet challenging research area with numerous practical applications. Over the past few years, plenty of studies have leveraged various forms of external knowledge to augment the reasoning capabilities of deep models, tackling challenges such as effective knowledge integration, implicit knowledge mining, and problems of tractability and optimization. However, there is a dearth of a comprehensive technical review of the existing knowledge-enhanced reasoning techniques across the diverse range of application domains. This survey provides an in-depth examination of recent advancements in the field, introducing a novel taxonomy that categorizes existing knowledge-enhanced methods into two primary categories and four subcategories. We systematically discuss these methods and highlight their correlations, strengths, and limitations. Finally, we elucidate the current application domains and provide insight into promising prospects for future research.

Guangji Bai, Liang Zhao

Multitask learning is a framework that enforces multiple learning tasks to share knowledge to improve their generalization abilities. While shallow multitask learning can learn task relations, it can only handle predefined features. Modern deep multitask learning can jointly learn latent features and task sharing, but they are obscure in task relation. Also, they predefine which layers and neurons should share across tasks and cannot learn adaptively. To address these challenges, this paper proposes a new multitask learning framework that jointly learns latent features and explicit task relations by complementing the strength of existing shallow and deep multitask learning scenarios. Specifically, we propose to model the task relation as the similarity between task input gradients, with a theoretical analysis of their equivalency. In addition, we innovatively propose a multitask learning objective that explicitly learns task relations by a new regularizer. Theoretical analysis shows that the generalizability error has been reduced thanks to the proposed regularizer. Extensive experiments on several multitask learning and image classification benchmarks demonstrate the proposed method effectiveness, efficiency as well as reasonableness in the learned task relation patterns.

Yifei Zhang, Siyi Gu, Bo Pan et al.

Visual explanation (attention)-guided learning uses not only labels but also explanations to guide model reasoning process. While visual attention-guided learning has shown promising results, it requires a large number of explanation annotations that are time-consuming to prepare. However, in many real-world situations, it is usually desired to prompt the model with visual attention without model retraining. For example, when doing AI-assisted cancer classification on a medical image, users (e.g., clinicians) can provide the AI model with visual attention prompt on which areas are indispensable and which are precluded. Despite its promising objectives, achieving visual attention-prompted prediction presents several major challenges: 1) How can the visual prompt be effectively integrated into the model's reasoning process? 2) How should the model handle samples that lack visual prompts? 3) What is the impact on the model's performance when a visual prompt is imperfect? This paper introduces a novel framework for attention-prompted prediction and learning, utilizing visual prompts to steer the model's reasoning process. To improve performance in non-prompted situations and align it with prompted scenarios, we propose a co-training approach for both non-prompted and prompted models, ensuring they share similar parameters and activations. Additionally, for instances where the visual prompt does not encompass the entire input image, we have developed innovative attention prompt refinement methods. These methods interpolate the incomplete prompts while maintaining alignment with the model's explanations. Extensive experiments on four datasets demonstrate the effectiveness of our proposed framework in enhancing predictions for samples both with and without prompt.

Yifei Zhang, James Song, Siyi Gu et al.

Explainable AI (XAI) has gained significant attention for providing insights into the decision-making processes of deep learning models, particularly for image classification tasks through visual explanations visualized by saliency maps. Despite their success, challenges remain due to the lack of annotated datasets and standardized evaluation pipelines. In this paper, we introduce Saliency-Bench, a novel benchmark suite designed to evaluate visual explanations generated by saliency methods across multiple datasets. We curated, constructed, and annotated eight datasets, each covering diverse tasks such as scene classification, cancer diagnosis, object classification, and action classification, with corresponding ground-truth explanations. The benchmark includes a standardized and unified evaluation pipeline for assessing faithfulness and alignment of the visual explanation, providing a holistic visual explanation performance assessment. We benchmark these eight datasets with widely used saliency methods on different image classifier architectures to evaluate explanation quality. Additionally, we developed an easy-to-use API for automating the evaluation pipeline, from data accessing, and data loading, to result evaluation. The benchmark is available via our website: https://xaidataset.github.io.

Chen Ling, Xujiang Zhao, Xuchao Zhang et al.

In-context learning has emerged as a groundbreaking ability of Large Language Models (LLMs) and revolutionized various fields by providing a few task-relevant demonstrations in the prompt. However, trustworthy issues with LLM's response, such as hallucination, have also been actively discussed. Existing works have been devoted to quantifying the uncertainty in LLM's response, but they often overlook the complex nature of LLMs and the uniqueness of in-context learning. In this work, we delve into the predictive uncertainty of LLMs associated with in-context learning, highlighting that such uncertainties may stem from both the provided demonstrations (aleatoric uncertainty) and ambiguities tied to the model's configurations (epistemic uncertainty). We propose a novel formulation and corresponding estimation method to quantify both types of uncertainties. The proposed method offers an unsupervised way to understand the prediction of in-context learning in a plug-and-play fashion. Extensive experiments are conducted to demonstrate the effectiveness of the decomposition. The code and data are available at: https://github.com/lingchen0331/UQ_ICL.

Dazhou Yu, Guangji Bai, Yun Li et al.

Spatial autocorrelation and spatial heterogeneity widely exist in spatial data, which make the traditional machine learning model perform badly. Spatial domain generalization is a spatial extension of domain generalization, which can generalize to unseen spatial domains in continuous 2D space. Specifically, it learns a model under varying data distributions that generalizes to unseen domains. Although tremendous success has been achieved in domain generalization, there exist very few works on spatial domain generalization. The advancement of this area is challenged by: 1) Difficulty in characterizing spatial heterogeneity, and 2) Difficulty in obtaining predictive models for unseen locations without training data. To address these challenges, this paper proposes a generic framework for spatial domain generalization. Specifically, We develop the spatial interpolation graph neural network that handles spatial data as a graph and learns the spatial embedding on each node and their relationships. The spatial interpolation graph neural network infers the spatial embedding of an unseen location during the test phase. Then the spatial embedding of the target location is used to decode the parameters of the downstream-task model directly on the target location. Finally, extensive experiments on thirteen real-world datasets demonstrate the proposed method's strength.

Zheng Zhang, Liang Zhao

Deep learning has shown remarkable success in the field of clustering recently. However, how to transfer a trained clustering model on a source domain to a target domain by leveraging the acquired knowledge to guide the clustering process remains challenging. Existing deep clustering methods often lack generalizability to new domains because they typically learn a group of fixed cluster centroids, which may not be optimal for the new domain distributions. In this paper, we propose a novel transferable deep clustering model that can automatically adapt the cluster centroids according to the distribution of data samples. Rather than learning a fixed set of centroids, our approach introduces a novel attention-based module that can adapt the centroids by measuring their relationship with samples. In addition, we theoretically show that our model is strictly more powerful than some classical clustering algorithms such as k-means or Gaussian Mixture Model (GMM). Experimental results on both synthetic and real-world datasets demonstrate the effectiveness and efficiency of our proposed transfer learning framework, which significantly improves the performance on target domain and reduces the computational cost.

Zekun Zhou, Xiaocheng Feng, Lei Huang et al.

Research is a fundamental process driving the advancement of human civilization, yet it demands substantial time and effort from researchers. In recent years, the rapid development of artificial intelligence (AI) technologies has inspired researchers to explore how AI can accelerate and enhance research. To monitor relevant advancements, this paper presents a systematic review of the progress in this domain. Specifically, we organize the relevant studies into three main categories: hypothesis formulation, hypothesis validation, and manuscript publication. Hypothesis formulation involves knowledge synthesis and hypothesis generation. Hypothesis validation includes the verification of scientific claims, theorem proving, and experiment validation. Manuscript publication encompasses manuscript writing and the peer review process. Furthermore, we identify and discuss the current challenges faced in these areas, as well as potential future directions for research. Finally, we also offer a comprehensive overview of existing benchmarks and tools across various domains that support the integration of AI into the research process. We hope this paper serves as an introduction for beginners and fosters future research. Resources have been made publicly available at https://github.com/zkzhou126/AI-for-Research.

Bo Pan, Zhenke Liu, Yifei Zhang et al.

Explainable AI seeks to bring light to the decision-making processes of black-box models. Traditional saliency-based methods, while highlighting influential data segments, often lack semantic understanding. Recent advancements, such as Concept Activation Vectors (CAVs) and Concept Bottleneck Models (CBMs), offer concept-based explanations but necessitate human-defined concepts. However, human-annotated concepts are expensive to attain. This paper introduces the Concept Bottleneck Surrogate Models (SurroCBM), a novel framework that aims to explain the black-box models with automatically discovered concepts. SurroCBM identifies shared and unique concepts across various black-box models and employs an explainable surrogate model for post-hoc explanations. An effective training strategy using self-generated data is proposed to enhance explanation quality continuously. Through extensive experiments, we demonstrate the efficacy of SurroCBM in concept discovery and explanation, underscoring its potential in advancing the field of explainable AI.

Zheng Zhang, Allen Zhang, Ruth Nelson et al.

Geometric trees are characterized by their tree-structured layout and spatially constrained nodes and edges, which significantly impacts their topological attributes. This inherent hierarchical structure plays a crucial role in domains such as neuron morphology and river geomorphology, but traditional graph representation methods often overlook these specific characteristics of tree structures. To address this, we introduce a new representation learning framework tailored for geometric trees. It first features a unique message passing neural network, which is both provably geometrical structure-recoverable and rotation-translation invariant. To address the data label scarcity issue, our approach also includes two innovative training targets that reflect the hierarchical ordering and geometric structure of these geometric trees. This enables fully self-supervised learning without explicit labels. We validate our method's effectiveness on eight real-world datasets, demonstrating its capability to represent geometric trees.

Shipeng Liu, Zhonglin Zhang, Dengfeng Chen et al.

Accurately assessing image complexity (IC) is critical for computer vision, yet most existing methods rely solely on visual features and often neglect high-level semantic information, limiting their accuracy and generalization. We introduce vision-text fusion for IC modeling. This approach integrates visual and textual semantic features, increasing representational diversity. It also reduces the complexity of the hypothesis space, which enhances both accuracy and generalization in complexity assessment. We propose the D2S (Describe-to-Score) framework, which generates image captions with a pre-trained vision-language model. We propose the feature alignment and entropy distribution alignment mechanisms, D2S guides semantic information to inform complexity assessment while bridging the gap between vision and text modalities. D2S utilizes multi-modal information during training but requires only the vision branch during inference, thereby avoiding multi-modal computational overhead and enabling efficient assessment. Experimental results demonstrate that D2S outperforms existing methods on the IC9600 dataset and maintains competitiveness on no-reference image quality assessment (NR-IQA) benchmark, validating the effectiveness and efficiency of multi-modal fusion in complexity-related tasks. Code is available at: https://github.com/xauat-liushipeng/D2S

Dazhou Yu, Yuntong Hu, Yun Li et al.

Polygon representation learning is essential for diverse applications, encompassing tasks such as shape coding, building pattern classification, and geographic question answering. While recent years have seen considerable advancements in this field, much of the focus has been on single polygons, overlooking the intricate inner- and inter-polygonal relationships inherent in multipolygons. To address this gap, our study introduces a comprehensive framework specifically designed for learning representations of polygonal geometries, particularly multipolygons. Central to our approach is the incorporation of a heterogeneous visibility graph, which seamlessly integrates both inner- and inter-polygonal relationships. To enhance computational efficiency and minimize graph redundancy, we implement a heterogeneous spanning tree sampling method. Additionally, we devise a rotation-translation invariant geometric representation, ensuring broader applicability across diverse scenarios. Finally, we introduce Multipolygon-GNN, a novel model tailored to leverage the spatial and semantic heterogeneity inherent in the visibility graph. Experiments on five real-world and synthetic datasets demonstrate its ability to capture informative representations for polygonal geometries. Code and data are available at \href{https://github.com/dyu62/PolyGNN}{$github.com/dyu62/PolyGNN$}.

Chen Ling, Junji Jiang, Junxiang Wang et al.

Influence maximization (IM) is formulated as selecting a set of initial users from a social network to maximize the expected number of influenced users. Researchers have made great progress in designing various traditional methods, and their theoretical design and performance gain are close to a limit. In the past few years, learning-based IM methods have emerged to achieve stronger generalization ability to unknown graphs than traditional ones. However, the development of learning-based IM methods is still limited by fundamental obstacles, including 1) the difficulty of effectively solving the objective function; 2) the difficulty of characterizing the diversified underlying diffusion patterns; and 3) the difficulty of adapting the solution under various node-centrality-constrained IM variants. To cope with the above challenges, we design a novel framework DeepIM to generatively characterize the latent representation of seed sets, and we propose to learn the diversified information diffusion pattern in a data-driven and end-to-end manner. Finally, we design a novel objective function to infer optimal seed sets under flexible node-centrality-based budget constraints. Extensive analyses are conducted over both synthetic and real-world datasets to demonstrate the overall performance of DeepIM. The code and data are available at: https://github.com/triplej0079/DeepIM.

Yuanqi Du, Xiaojie Guo, Amarda Shehu et al.

Designing molecules with specific properties is a long-lasting research problem and is central to advancing crucial domains such as drug discovery and material science. Recent advances in deep graph generative models treat molecule design as graph generation problems which provide new opportunities toward the breakthrough of this long-lasting problem. Existing models, however, have many shortcomings, including poor interpretability and controllability toward desired molecular properties. This paper focuses on new methodologies for molecule generation with interpretable and controllable deep generative models, by proposing new monotonically-regularized graph variational autoencoders. The proposed models learn to represent the molecules with latent variables and then learn the correspondence between them and molecule properties parameterized by polynomial functions. To further improve the intepretability and controllability of molecule generation towards desired properties, we derive new objectives which further enforce monotonicity of the relation between some latent variables and target molecule properties such as toxicity and clogP. Extensive experimental evaluation demonstrates the superiority of the proposed framework on accuracy, novelty, disentanglement, and control towards desired molecular properties. The code is open-source at https://anonymous.4open.science/r/MDVAE-FD2C.

Mingxuan Ju, Yujie Fan, Yanfang Ye et al.

Graph Neural Networks (GNNs) have drawn significant attentions over the years and been broadly applied to vital fields that require high security standard such as product recommendation and traffic forecasting. Under such scenarios, exploiting GNN's vulnerabilities and further downgrade its classification performance become highly incentive for adversaries. Previous attackers mainly focus on structural perturbations of existing graphs. Although they deliver promising results, the actual implementation needs capability of manipulating the graph connectivity, which is impractical in some circumstances. In this work, we study the possibility of injecting nodes to evade the victim GNN model, and unlike previous related works with white-box setting, we significantly restrict the amount of accessible knowledge and explore the black-box setting. Specifically, we model the node injection attack as a Markov decision process and propose GA2C, a graph reinforcement learning framework in the fashion of advantage actor critic, to generate realistic features for injected nodes and seamlessly merge them into the original graph following the same topology characteristics. Through our extensive experiments on multiple acknowledged benchmark datasets, we demonstrate the superior performance of our proposed GA2C over existing state-of-the-art methods. The data and source code are publicly accessible at: https://github.com/jumxglhf/GA2C.

Yuanpeng Li, Joel Hestness, Mohamed Elhoseiny et al.

This paper proposes an efficient approach to learning disentangled representations with causal mechanisms based on the difference of conditional probabilities in original and new distributions. We approximate the difference with models' generalization abilities so that it fits in the standard machine learning framework and can be efficiently computed. In contrast to the state-of-the-art approach, which relies on the learner's adaptation speed to new distribution, the proposed approach only requires evaluating the model's generalization ability. We provide a theoretical explanation for the advantage of the proposed method, and our experiments show that the proposed technique is 1.9--11.0$\times$ more sample efficient and 9.4--32.4 times quicker than the previous method on various tasks. The source code is available at \url{https://github.com/yuanpeng16/EDCR}.

Mingxuan Ju, Shifu Hou, Yujie Fan et al.

Graph neural networks (GNNs) have demonstrated great success in representation learning for graph-structured data. The layer-wise graph convolution in GNNs is shown to be powerful at capturing graph topology. During this process, GNNs are usually guided by pre-defined kernels such as Laplacian matrix, adjacency matrix, or their variants. However, the adoptions of pre-defined kernels may restrain the generalities to different graphs: mismatch between graph and kernel would entail sub-optimal performance. For example, GNNs that focus on low-frequency information may not achieve satisfactory performance when high-frequency information is significant for the graphs, and vice versa. To solve this problem, in this paper, we propose a novel framework - i.e., namely Adaptive Kernel Graph Neural Network (AKGNN) - which learns to adapt to the optimal graph kernel in a unified manner at the first attempt. In the proposed AKGNN, we first design a data-driven graph kernel learning mechanism, which adaptively modulates the balance between all-pass and low-pass filters by modifying the maximal eigenvalue of the graph Laplacian. Through this process, AKGNN learns the optimal threshold between high and low frequency signals to relieve the generality problem. Later, we further reduce the number of parameters by a parameterization trick and enhance the expressive power by a global readout function. Extensive experiments are conducted on acknowledged benchmark datasets and promising results demonstrate the outstanding performance of our proposed AKGNN by comparison with state-of-the-art GNNs. The source code is publicly available at: https://github.com/jumxglhf/AKGNN.

Yujie Fan, Mingxuan Ju, Chuxu Zhang et al.

Graph neural networks (GNNs) have been broadly studied on dynamic graphs for their representation learning, majority of which focus on graphs with homogeneous structures in the spatial domain. However, many real-world graphs - i.e., heterogeneous temporal graphs (HTGs) - evolve dynamically in the context of heterogeneous graph structures. The dynamics associated with heterogeneity have posed new challenges for HTG representation learning. To solve this problem, in this paper, we propose heterogeneous temporal graph neural network (HTGNN) to integrate both spatial and temporal dependencies while preserving the heterogeneity to learn node representations over HTGs. Specifically, in each layer of HTGNN, we propose a hierarchical aggregation mechanism, including intra-relation, inter-relation, and across-time aggregations, to jointly model heterogeneous spatial dependencies and temporal dimensions. To retain the heterogeneity, intra-relation aggregation is first performed over each slice of HTG to attentively aggregate information of neighbors with the same type of relation, and then intra-relation aggregation is exploited to gather information over different types of relations; to handle temporal dependencies, across-time aggregation is conducted to exchange information across different graph slices over the HTG. The proposed HTGNN is a holistic framework tailored heterogeneity with evolution in time and space for HTG representation learning. Extensive experiments are conducted on the HTGs built from different real-world datasets and promising results demonstrate the outstanding performance of HTGNN by comparison with state-of-the-art baselines. Our built HTGs and code have been made publicly accessible at: https://github.com/YesLab-Code/HTGNN.

Lincan Li, Jiaqi Li, Catherine Chen et al.

In recent years, large language models (LLMs) have been widely adopted in political science tasks such as election prediction, sentiment analysis, policy impact assessment, and misinformation detection. Meanwhile, the need to systematically understand how LLMs can further revolutionize the field also becomes urgent. In this work, we--a multidisciplinary team of researchers spanning computer science and political science--present the first principled framework termed Political-LLM to advance the comprehensive understanding of integrating LLMs into computational political science. Specifically, we first introduce a fundamental taxonomy classifying the existing explorations into two perspectives: political science and computational methodologies. In particular, from the political science perspective, we highlight the role of LLMs in automating predictive and generative tasks, simulating behavior dynamics, and improving causal inference through tools like counterfactual generation; from a computational perspective, we introduce advancements in data preparation, fine-tuning, and evaluation methods for LLMs that are tailored to political contexts. We identify key challenges and future directions, emphasizing the development of domain-specific datasets, addressing issues of bias and fairness, incorporating human expertise, and redefining evaluation criteria to align with the unique requirements of computational political science. Political-LLM seeks to serve as a guidebook for researchers to foster an informed, ethical, and impactful use of Artificial Intelligence in political science. Our online resource is available at: http://political-llm.org/.

Yuntong Hu, Zhihan Lei, Zhongjie Dai et al.

Research question answering requires accurate retrieval and contextual understanding of scientific literature. However, current Retrieval-Augmented Generation (RAG) methods often struggle to balance complex document relationships with precise information retrieval. In this paper, we introduce Contextualized Graph Retrieval-Augmented Generation (CG-RAG), a novel framework that integrates sparse and dense retrieval signals within graph structures to enhance retrieval efficiency and subsequently improve generation quality for research question answering. First, we propose a contextual graph representation for citation graphs, effectively capturing both explicit and implicit connections within and across documents. Next, we introduce Lexical-Semantic Graph Retrieval (LeSeGR), which seamlessly integrates sparse and dense retrieval signals with graph encoding. It bridges the gap between lexical precision and semantic understanding in citation graph retrieval, demonstrating generalizability to existing graph retrieval and hybrid retrieval methods. Finally, we present a context-aware generation strategy that utilizes the retrieved graph-structured information to generate precise and contextually enriched responses using large language models (LLMs). Extensive experiments on research question answering benchmarks across multiple domains demonstrate that our CG-RAG framework significantly outperforms RAG methods combined with various state-of-the-art retrieval approaches, delivering superior retrieval accuracy and generation quality.

Nahyun Kwon, Tong Sun, Yuyang Gao et al.

The widespread consumer-grade 3D printers and learning resources online enable novices to self-train in remote settings. While troubleshooting plays an essential part of 3D printing, the process remains challenging for many remote novices even with the help of well-developed online sources, such as online troubleshooting archives and online community help. We conducted a formative study with 76 active 3D printing users to learn how remote novices leverage online resources in troubleshooting and their challenges. We found that remote novices cannot fully utilize online resources. For example, the online archives statically provide general information, making it hard to search and relate their unique cases with existing descriptions. Online communities can potentially ease their struggles by providing more targeted suggestions, but a helper who can provide custom help is rather scarce, making it hard to obtain timely assistance. We propose 3DPFIX, an interactive 3D troubleshooting system powered by the pipeline to facilitate Human-AI Collaboration, designed to improve novices' 3D printing experiences and thus help them easily accumulate their domain knowledge. We built 3DPFIX that supports automated diagnosis and solution-seeking. 3DPFIX was built upon shared dialogues about failure cases from Q&A discourses accumulated in online communities. We leverage social annotations (i.e., comments) to build an annotated failure image dataset for AI classifiers and extract a solution pool. Our summative study revealed that using 3DPFIX helped participants spend significantly less effort in diagnosing failures and finding a more accurate solution than relying on their common practice. We also found that 3DPFIX users learn about 3D printing domain-specific knowledge. We discuss the implications of leveraging community-driven data in developing future Human-AI Collaboration designs.

Mengdan Zhu, Zhenke Liu, Bo Pan et al.

Learning interpretable representations of data generative latent factors is an important topic for the development of artificial intelligence. With the rise of the large multimodal model, it can align images with text to generate answers. In this work, we propose a framework to comprehensively explain each latent variable in the generative models using a large multimodal model. We further measure the uncertainty of our generated explanations, quantitatively evaluate the performance of explanation generation among multiple large multimodal models, and qualitatively visualize the variations of each latent variable to learn the disentanglement effects of different generative models on explanations. Finally, we discuss the explanatory capabilities and limitations of state-of-the-art large multimodal models.

Dazhou Yu, Riyang Bao, Ruiyu Ning et al.

Answering real-world geospatial questions--such as finding restaurants along a travel route or amenities near a landmark--requires reasoning over both geographic relationships and semantic user intent. However, existing large language models (LLMs) lack spatial computing capabilities and access to up-to-date, ubiquitous real-world geospatial data, while traditional geospatial systems fall short in interpreting natural language. To bridge this gap, we introduce Spatial-RAG, a Retrieval-Augmented Generation (RAG) framework designed for geospatial question answering. Spatial-RAG integrates structured spatial databases with LLMs via a hybrid spatial retriever that combines sparse spatial filtering and dense semantic matching. It formulates the answering process as a multi-objective optimization over spatial and semantic relevance, identifying Pareto-optimal candidates and dynamically selecting the best response based on user intent. Experiments across multiple tourism and map-based QA datasets show that Spatial-RAG significantly improves accuracy, precision, and ranking performance over strong baselines.

Wenhan Ma, Hailin Zhang, Liang Zhao et al. · pku

Reinforcement learning (RL) has emerged as a crucial approach for enhancing the capabilities of large language models. However, in Mixture-of-Experts (MoE) models, the routing mechanism often introduces instability, even leading to catastrophic RL training collapse. We analyze the training-inference consistency of MoE models and identify a notable discrepancy in routing behaviors between the two phases. Moreover, even under identical conditions, the routing framework can yield divergent expert selections across repeated forward passes. To address this foundational inconsistency, we propose Rollout Routing Replay (R3), a method that records routing distributions from the inference engine and replays them during training. R3 significantly reduces training-inference policy KL divergence and mitigates extreme discrepancies without compromising training speed. Extensive experiments on various settings confirm that R3 succeeds in stabilizing RL training, preventing collapse and outperforming methods such as GSPO and TIS. We believe this work can offer a new solution for stabilizing RL in MoE models.

Dazhou Yu, Xiaoyun Gong, Yun Li et al.

Multi-source spatial point data prediction is crucial in fields like environmental monitoring and natural resource management, where integrating data from various sensors is the key to achieving a holistic environmental understanding. Existing models in this area often fall short due to their domain-specific nature and lack a strategy for integrating information from various sources in the absence of ground truth labels. Key challenges include evaluating the quality of different data sources and modeling spatial relationships among them effectively. Addressing these issues, we introduce an innovative multi-source spatial point data prediction framework that adeptly aligns information from varied sources without relying on ground truth labels. A unique aspect of our method is the 'fidelity score,' a quantitative measure for evaluating the reliability of each data source. Furthermore, we develop a geo-location-aware graph neural network tailored to accurately depict spatial relationships between data points. Our framework has been rigorously tested on two real-world datasets and one synthetic dataset. The results consistently demonstrate its superior performance over existing state-of-the-art methods.

Chen Ling, Xujiang Zhao, Jiaying Lu et al.

Large language models (LLMs) have significantly advanced the field of natural language processing (NLP), providing a highly useful, task-agnostic foundation for a wide range of applications. However, directly applying LLMs to solve sophisticated problems in specific domains meets many hurdles, caused by the heterogeneity of domain data, the sophistication of domain knowledge, the uniqueness of domain objectives, and the diversity of the constraints (e.g., various social norms, cultural conformity, religious beliefs, and ethical standards in the domain applications). Domain specification techniques are key to make large language models disruptive in many applications. Specifically, to solve these hurdles, there has been a notable increase in research and practices conducted in recent years on the domain specialization of LLMs. This emerging field of study, with its substantial potential for impact, necessitates a comprehensive and systematic review to better summarize and guide ongoing work in this area. In this article, we present a comprehensive survey on domain specification techniques for large language models, an emerging direction critical for large language model applications. First, we propose a systematic taxonomy that categorizes the LLM domain-specialization techniques based on the accessibility to LLMs and summarizes the framework for all the subcategories as well as their relations and differences to each other. Second, we present an extensive taxonomy of critical application domains that can benefit dramatically from specialized LLMs, discussing their practical significance and open challenges. Last, we offer our insights into the current research status and future trends in this area.

Yun Li, Dazhou Yu, Zhenke Liu et al.

In the era of big data, there has been a surge in the availability of data containing rich spatial and temporal information, offering valuable insights into dynamic systems and processes for applications such as weather forecasting, natural disaster management, intelligent transport systems, and precision agriculture. Graph neural networks (GNNs) have emerged as a powerful tool for modeling and understanding data with dependencies to each other such as spatial and temporal dependencies. There is a large amount of existing work that focuses on addressing the complex spatial and temporal dependencies in spatiotemporal data using GNNs. However, the strong interdisciplinary nature of spatiotemporal data has created numerous GNNs variants specifically designed for distinct application domains. Although the techniques are generally applicable across various domains, cross-referencing these methods remains essential yet challenging due to the absence of a comprehensive literature review on GNNs for spatiotemporal data. This article aims to provide a systematic and comprehensive overview of the technologies and applications of GNNs in the spatiotemporal domain. First, the ways of constructing graphs from spatiotemporal data are summarized to help domain experts understand how to generate graphs from various types of spatiotemporal data. Then, a systematic categorization and summary of existing spatiotemporal GNNs are presented to enable domain experts to identify suitable techniques and to support model developers in advancing their research. Moreover, a comprehensive overview of significant applications in the spatiotemporal domain is offered to introduce a broader range of applications to model developers and domain experts, assisting them in exploring potential research topics and enhancing the impact of their work. Finally, open challenges and future directions are discussed.

Shiyu Wang, Guangji Bai, Qingyang Zhu et al.

Graph transformation that predicts graph transition from one mode to another is an important and common problem. Despite much progress in developing advanced graph transformation techniques in recent years, the fundamental assumption typically required in machine-learning models that the testing and training data preserve the same distribution does not always hold. As a result, domain generalization graph transformation that predicts graphs not available in the training data is under-explored, with multiple key challenges to be addressed including (1) the extreme space complexity when training on all input-output mode combinations, (2) difference of graph topologies between the input and the output modes, and (3) how to generalize the model to (unseen) target domains that are not in the training data. To fill the gap, we propose a multi-input, multi-output, hypernetwork-based graph neural network (MultiHyperGNN) that employs a encoder and a decoder to encode topologies of both input and output modes and semi-supervised link prediction to enhance the graph transformation task. Instead of training on all mode combinations, MultiHyperGNN preserves a constant space complexity with the encoder and the decoder produced by two novel hypernetworks. Comprehensive experiments show that MultiHyperGNN has a superior performance than competing models in both prediction and domain generalization tasks.