UniSA: Unified Generative Framework for Sentiment Analysis

Sentiment analysis is a crucial task that aims to understand people's emotional states and predict emotional categories based on multimodal information. It consists of several subtasks, such as emotion recognition in conversation (ERC), aspect-based sentiment analysis (ABSA), and multimodal sentiment analysis (MSA). However, unifying all subtasks in sentiment analysis presents numerous challenges, including modality alignment, unified input/output forms, and dataset bias. To address these challenges, we propose a Task-Specific Prompt method to jointly model subtasks and introduce a multimodal generative framework called UniSA. Additionally, we organize the benchmark datasets of main subtasks into a new Sentiment Analysis Evaluation benchmark, SAEval. We design novel pre-training tasks and training methods to enable the model to learn generic sentiment knowledge among subtasks to improve the model's multimodal sentiment perception ability. Our experimental results show that UniSA performs comparably to the state-of-the-art on all subtasks and generalizes well to various subtasks in sentiment analysis.

Reinforcement Graph Clustering with Unknown Cluster Number

Deep graph clustering, which aims to group nodes into disjoint clusters by neural networks in an unsupervised manner, has attracted great attention in recent years. Although the performance has been largely improved, the excellent performance of the existing methods heavily relies on an accurately predefined cluster number, which is not always available in the real-world scenario. To enable the deep graph clustering algorithms to work without the guidance of the predefined cluster number, we propose a new deep graph clustering method termed Reinforcement Graph Clustering (RGC). In our proposed method, cluster number determination and unsupervised representation learning are unified into a uniform framework by the reinforcement learning mechanism. Concretely, the discriminative node representations are first learned with the contrastive pretext task. Then, to capture the clustering state accurately with both local and global information in the graph, both node and cluster states are considered. Subsequently, at each state, the qualities of different cluster numbers are evaluated by the quality network, and the greedy action is executed to determine the cluster number. In order to conduct feedback actions, the clustering-oriented reward function is proposed to enhance the cohesion of the same clusters and separate the different clusters. Extensive experiments demonstrate the effectiveness and efficiency of our proposed method. The source code of RGC is shared at https://github.com/yueliu1999/RGC and a collection (papers, codes and, datasets) of deep graph clustering is shared at https://github.com/yueliu1999/Awesome-Deep-Graph-Clustering on Github.

Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems

Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a new area of research known as AI for science (AI4Science). Being an emerging research paradigm, AI4Science is unique in that it is an enormous and highly interdisciplinary area. Thus, a unified and technical treatment of this field is needed yet challenging. This paper aims to provide a technically thorough account of a subarea of AI4Science; namely, AI for quantum, atomistic, and continuum systems. These areas aim at understanding the physical world from the subatomic (wavefunctions and electron density), atomic (molecules, proteins, materials, and interactions), to macro (fluids, climate, and subsurface) scales and form an important subarea of AI4Science. A unique advantage of focusing on these areas is that they largely share a common set of challenges, thereby allowing a unified and foundational treatment. A key common challenge is how to capture physics first principles, especially symmetries, in natural systems by deep learning methods. We provide an in-depth yet intuitive account of techniques to achieve equivariance to symmetry transformations. We also discuss other common technical challenges, including explainability, out-of-distribution generalization, knowledge transfer with foundation and large language models, and uncertainty quantification. To facilitate learning and education, we provide categorized lists of resources that we found to be useful. We strive to be thorough and unified and hope this initial effort may trigger more community interests and efforts to further advance AI4Science.

Structure Guided Multi-modal Pre-trained Transformer for Knowledge Graph Reasoning

Multimodal knowledge graphs (MKGs), which intuitively organize information in various modalities, can benefit multiple practical downstream tasks, such as recommendation systems, and visual question answering. However, most MKGs are still far from complete, which motivates the flourishing of MKG reasoning models. Recently, with the development of general artificial architectures, the pretrained transformer models have drawn increasing attention, especially for multimodal scenarios. However, the research of multimodal pretrained transformer (MPT) for knowledge graph reasoning (KGR) is still at an early stage. As the biggest difference between MKG and other multimodal data, the rich structural information underlying the MKG still cannot be fully leveraged in existing MPT models. Most of them only utilize the graph structure as a retrieval map for matching images and texts connected with the same entity. This manner hinders their reasoning performances. To this end, we propose the graph Structure Guided Multimodal Pretrained Transformer for knowledge graph reasoning, termed SGMPT. Specifically, the graph structure encoder is adopted for structural feature encoding. Then, a structure-guided fusion module with two different strategies, i.e., weighted summation and alignment constraint, is first designed to inject the structural information into both the textual and visual features. To the best of our knowledge, SGMPT is the first MPT model for multimodal KGR, which mines the structural information underlying the knowledge graph. Extensive experiments on FB15k-237-IMG and WN18-IMG, demonstrate that our SGMPT outperforms existing state-of-the-art models, and prove the effectiveness of the designed strategies.

QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules

Supervised machine learning approaches have been increasingly used in accelerating electronic structure prediction as surrogates of first-principle computational methods, such as density functional theory (DFT). While numerous quantum chemistry datasets focus on chemical properties and atomic forces, the ability to achieve accurate and efficient prediction of the Hamiltonian matrix is highly desired, as it is the most important and fundamental physical quantity that determines the quantum states of physical systems and chemical properties. In this work, we generate a new Quantum Hamiltonian dataset, named as QH9, to provide precise Hamiltonian matrices for 2,399 molecular dynamics trajectories and 130,831 stable molecular geometries, based on the QM9 dataset. By designing benchmark tasks with various molecules, we show that current machine learning models have the capacity to predict Hamiltonian matrices for arbitrary molecules. Both the QH9 dataset and the baseline models are provided to the community through an open-source benchmark, which can be highly valuable for developing machine learning methods and accelerating molecular and materials design for scientific and technological applications. Our benchmark is publicly available at https://github.com/divelab/AIRS/tree/main/OpenDFT/QHBench.

A Survey on Video Moment Localization

Video moment localization, also known as video moment retrieval, aiming to search a target segment within a video described by a given natural language query. Beyond the task of temporal action localization whereby the target actions are pre-defined, video moment retrieval can query arbitrary complex activities. In this survey paper, we aim to present a comprehensive review of existing video moment localization techniques, including supervised, weakly supervised, and unsupervised ones. We also review the datasets available for video moment localization and group results of related work. In addition, we discuss promising future directions for this field, in particular large-scale datasets and interpretable video moment localization models.

Graph Mixup with Soft Alignments

We study graph data augmentation by mixup, which has been used successfully on images. A key operation of mixup is to compute a convex combination of a pair of inputs. This operation is straightforward for grid-like data, such as images, but challenging for graph data. The key difficulty lies in the fact that different graphs typically have different numbers of nodes, and thus there lacks a node-level correspondence between graphs. In this work, we propose S-Mixup, a simple yet effective mixup method for graph classification by soft alignments. Specifically, given a pair of graphs, we explicitly obtain node-level correspondence via computing a soft assignment matrix to match the nodes between two graphs. Based on the soft assignments, we transform the adjacency and node feature matrices of one graph, so that the transformed graph is aligned with the other graph. In this way, any pair of graphs can be mixed directly to generate an augmented graph. We conduct systematic experiments to show that S-Mixup can improve the performance and generalization of graph neural networks (GNNs) on various graph classification tasks. In addition, we show that S-Mixup can increase the robustness of GNNs against noisy labels.

Joint Learning of Label and Environment Causal Independence for Graph Out-of-Distribution Generalization

We tackle the problem of graph out-of-distribution (OOD) generalization. Existing graph OOD algorithms either rely on restricted assumptions or fail to exploit environment information in training data. In this work, we propose to simultaneously incorporate label and environment causal independence (LECI) to fully make use of label and environment information, thereby addressing the challenges faced by prior methods on identifying causal and invariant subgraphs. We further develop an adversarial training strategy to jointly optimize these two properties for causal subgraph discovery with theoretical guarantees. Extensive experiments and analysis show that LECI significantly outperforms prior methods on both synthetic and real-world datasets, establishing LECI as a practical and effective solution for graph OOD generalization.

G$^2$uardFL: Safeguarding Federated Learning Against Backdoor Attacks through Attributed Client Graph Clustering

As a collaborative paradigm, Federated Learning (FL) empowers clients to engage in collective model training without exchanging their respective local data. Nevertheless, FL remains vulnerable to backdoor attacks in which an attacker compromises malicious clients, and injects poisoned model weights into the aggregation process to yield attacker-chosen predictions for particular samples. Existing countermeasures, mainly based on anomaly detection, may erroneously reject legitimate weights while accepting malicious ones, which is due to inadequacies in quantifying client model similarities. Other defense mechanisms prove effective exclusively when confronted with a restricted number of malicious clients, e.g., less than 10%. To address these vulnerabilities, we present G$^2$uardFL, a protective framework that reframes the detection of malicious clients as an attributed graph clustering problem, thereby safeguarding FL systems. This framework employs a client graph clustering technique to identify malicious clients and incorporates an adaptive method to amplify the disparity between the aggregated model and poisoned client models, thereby eliminating previously embedded backdoors. A theoretical analysis of convergence is also performed to demonstrate that the global model closely approximates the model untouched by any backdoor. Through empirical evaluation compared to cutting-edge defenses and against various backdoor attacks, our experimental results indicate that G$^2$uardFL considerably undermines the effectiveness of backdoor attacks while maintaining a negligible impact on the benign sample performance.

arXiv4TGC: Large-Scale Datasets for Temporal Graph Clustering

Temporal graph clustering (TGC) is a crucial task in temporal graph learning. Its focus is on node clustering on temporal graphs, and it offers greater flexibility for large-scale graph structures due to the mechanism of temporal graph methods. However, the development of TGC is currently constrained by a significant problem: the lack of suitable and reliable large-scale temporal graph datasets to evaluate clustering performance. In other words, most existing temporal graph datasets are in small sizes, and even large-scale datasets contain only a limited number of available node labels. It makes evaluating models for large-scale temporal graph clustering challenging. To address this challenge, we build arXiv4TGC, a set of novel academic datasets (including arXivAI, arXivCS, arXivMath, arXivPhy, and arXivLarge) for large-scale temporal graph clustering. In particular, the largest dataset, arXivLarge, contains 1.3 million labeled available nodes and 10 million temporal edges. We further compare the clustering performance with typical temporal graph learning models on both previous classic temporal graph datasets and the new datasets proposed in this paper. The clustering performance on arXiv4TGC can be more apparent for evaluating different models, resulting in higher clustering confidence and more suitable for large-scale temporal graph clustering. The arXiv4TGC datasets are publicly available at: https://github.com/MGitHubL/arXiv4TGC.