Neural Active Learning Beyond Bandits

We study both stream-based and pool-based active learning with neural network approximations. A recent line of works proposed bandit-based approaches that transformed active learning into a bandit problem, achieving both theoretical and empirical success. However, the performance and computational costs of these methods may be susceptible to the number of classes, denoted as $K$, due to this transformation. Therefore, this paper seeks to answer the question: "How can we mitigate the adverse impacts of $K$ while retaining the advantages of principled exploration and provable performance guarantees in active learning?" To tackle this challenge, we propose two algorithms based on the newly designed exploitation and exploration neural networks for stream-based and pool-based active learning. Subsequently, we provide theoretical performance guarantees for both algorithms in a non-parametric setting, demonstrating a slower error-growth rate concerning $K$ for the proposed approaches. We use extensive experiments to evaluate the proposed algorithms, which consistently outperform state-of-the-art baselines.

Heterogeneous Contrastive Learning for Foundation Models and Beyond

In the era of big data and Artificial Intelligence, an emerging paradigm is to utilize contrastive self-supervised learning to model large-scale heterogeneous data. Many existing foundation models benefit from the generalization capability of contrastive self-supervised learning by learning compact and high-quality representations without relying on any label information. Amidst the explosive advancements in foundation models across multiple domains, including natural language processing and computer vision, a thorough survey on heterogeneous contrastive learning for the foundation model is urgently needed. In response, this survey critically evaluates the current landscape of heterogeneous contrastive learning for foundation models, highlighting the open challenges and future trends of contrastive learning. In particular, we first present how the recent advanced contrastive learning-based methods deal with view heterogeneity and how contrastive learning is applied to train and fine-tune the multi-view foundation models. Then, we move to contrastive learning methods for task heterogeneity, including pretraining tasks and downstream tasks, and show how different tasks are combined with contrastive learning loss for different purposes. Finally, we conclude this survey by discussing the open challenges and shedding light on the future directions of contrastive learning.

Soft Reasoning on Uncertain Knowledge Graphs

The study of machine learning-based logical query-answering enables reasoning with large-scale and incomplete knowledge graphs. This paper further advances this line of research by considering the uncertainty in the knowledge. The uncertain nature of knowledge is widely observed in the real world, but \textit{does not} align seamlessly with the first-order logic underpinning existing studies. To bridge this gap, we study the setting of soft queries on uncertain knowledge, which is motivated by the establishment of soft constraint programming. We further propose an ML-based approach with both forward inference and backward calibration to answer soft queries on large-scale, incomplete, and uncertain knowledge graphs. Theoretical discussions present that our methods share the same complexity as state-of-the-art inference algorithms for first-order queries. Empirical results justify the superior performance of our approach against previous ML-based methods with number embedding extensions.

Rethinking the Bounds of LLM Reasoning: Are Multi-Agent Discussions the Key?

Recent progress in LLMs discussion suggests that multi-agent discussion improves the reasoning abilities of LLMs. In this work, we reevaluate this claim through systematic experiments, where we propose a novel group discussion framework to enrich the set of discussion mechanisms. Interestingly, our results show that a single-agent LLM with strong prompts can achieve almost the same performance as the best existing discussion approach on a wide range of reasoning tasks and backbone LLMs. We observe that the multi-agent discussion performs better than a single agent only when there is no demonstration in the prompt. Further study reveals the common interaction mechanisms of LLMs during the discussion.

On the Generalization Capability of Temporal Graph Learning Algorithms: Theoretical Insights and a Simpler Method

Temporal Graph Learning (TGL) has become a prevalent technique across diverse real-world applications, especially in domains where data can be represented as a graph and evolves over time. Although TGL has recently seen notable progress in algorithmic solutions, its theoretical foundations remain largely unexplored. This paper aims at bridging this gap by investigating the generalization ability of different TGL algorithms (e.g., GNN-based, RNN-based, and memory-based methods) under the finite-wide over-parameterized regime. We establish the connection between the generalization error of TGL algorithms and "the number of layers/steps" in the GNN-/RNN-based TGL methods and "the feature-label alignment (FLA) score", where FLA can be used as a proxy for the expressive power and explains the performance of memory-based methods. Guided by our theoretical analysis, we propose Simplified-Temporal-Graph-Network, which enjoys a small generalization error, improved overall performance, and lower model complexity. Extensive experiments on real-world datasets demonstrate the effectiveness of our method. Our theoretical findings and proposed algorithm offer essential insights into TGL from a theoretical standpoint, laying the groundwork for the designing practical TGL algorithms in future studies.

Conversational Question Answering with Reformulations over Knowledge Graph

conversational question answering (convQA) over knowledge graphs (KGs) involves answering multi-turn natural language questions about information contained in a KG. State-of-the-art methods of ConvQA often struggle with inexplicit question-answer pairs. These inputs are easy for human beings to understand given a conversation history, but hard for a machine to interpret, which can degrade ConvQA performance. To address this problem, we propose a reinforcement learning (RL) based model, CornNet, which utilizes question reformulations generated by large language models (LLMs) to improve ConvQA performance. CornNet adopts a teacher-student architecture where a teacher model learns question representations using human writing reformulations, and a student model to mimic the teacher model's output via reformulations generated by LLMs. The learned question representation is then used by an RL model to locate the correct answer in a KG. Extensive experimental results show that CornNet outperforms state-of-the-art convQA models.

Invariant Graph Transformer

Rationale discovery is defined as finding a subset of the input data that maximally supports the prediction of downstream tasks. In graph machine learning context, graph rationale is defined to locate the critical subgraph in the given graph topology, which fundamentally determines the prediction results. In contrast to the rationale subgraph, the remaining subgraph is named the environment subgraph. Graph rationalization can enhance the model performance as the mapping between the graph rationale and prediction label is viewed as invariant, by assumption. To ensure the discriminative power of the extracted rationale subgraphs, a key technique named "intervention" is applied. The core idea of intervention is that given any changing environment subgraphs, the semantics from the rationale subgraph is invariant, which guarantees the correct prediction result. However, most, if not all, of the existing rationalization works on graph data develop their intervention strategies on the graph level, which is coarse-grained. In this paper, we propose well-tailored intervention strategies on graph data. Our idea is driven by the development of Transformer models, whose self-attention module provides rich interactions between input nodes. Based on the self-attention module, our proposed invariant graph Transformer (IGT) can achieve fine-grained, more specifically, node-level and virtual node-level intervention. Our comprehensive experiments involve 7 real-world datasets, and the proposed IGT shows significant performance advantages compared to 13 baseline methods.

ELEGANT: Certified Defense on the Fairness of Graph Neural Networks

Graph Neural Networks (GNNs) have emerged as a prominent graph learning model in various graph-based tasks over the years. Nevertheless, due to the vulnerabilities of GNNs, it has been empirically proved that malicious attackers could easily corrupt the fairness level of their predictions by adding perturbations to the input graph data. In this paper, we take crucial steps to study a novel problem of certifiable defense on the fairness level of GNNs. Specifically, we propose a principled framework named ELEGANT and present a detailed theoretical certification analysis for the fairness of GNNs. ELEGANT takes any GNNs as its backbone, and the fairness level of such a backbone is theoretically impossible to be corrupted under certain perturbation budgets for attackers. Notably, ELEGANT does not have any assumption over the GNN structure or parameters, and does not require re-training the GNNs to realize certification. Hence it can serve as a plug-and-play framework for any optimized GNNs ready to be deployed. We verify the satisfactory effectiveness of ELEGANT in practice through extensive experiments on real-world datasets across different backbones of GNNs, where ELEGANT is also demonstrated to be beneficial for GNN debiasing. Open-source code can be found at https://github.com/yushundong/ELEGANT.

Deceptive Fairness Attacks on Graphs via Meta Learning

We study deceptive fairness attacks on graphs to answer the following question: How can we achieve poisoning attacks on a graph learning model to exacerbate the bias deceptively? We answer this question via a bi-level optimization problem and propose a meta learning-based framework named FATE. FATE is broadly applicable with respect to various fairness definitions and graph learning models, as well as arbitrary choices of manipulation operations. We further instantiate FATE to attack statistical parity and individual fairness on graph neural networks. We conduct extensive experimental evaluations on real-world datasets in the task of semi-supervised node classification. The experimental results demonstrate that FATE could amplify the bias of graph neural networks with or without fairness consideration while maintaining the utility on the downstream task. We hope this paper provides insights into the adversarial robustness of fair graph learning and can shed light on designing robust and fair graph learning in future studies.

Hierarchical Multi-Marginal Optimal Transport for Network Alignment

Finding node correspondence across networks, namely multi-network alignment, is an essential prerequisite for joint learning on multiple networks. Despite great success in aligning networks in pairs, the literature on multi-network alignment is sparse due to the exponentially growing solution space and lack of high-order discrepancy measures. To fill this gap, we propose a hierarchical multi-marginal optimal transport framework named HOT for multi-network alignment. To handle the large solution space, multiple networks are decomposed into smaller aligned clusters via the fused Gromov-Wasserstein (FGW) barycenter. To depict high-order relationships across multiple networks, the FGW distance is generalized to the multi-marginal setting, based on which networks can be aligned jointly. A fast proximal point method is further developed with guaranteed convergence to a local optimum. Extensive experiments and analysis show that our proposed HOT achieves significant improvements over the state-of-the-art in both effectiveness and scalability.