Abstract:Next point-of-interest (POI) recommendation aims to predict a user's next destination based on sequential check-in history and a set of POI candidates. Graph neural networks (GNNs) have demonstrated a remarkable capability in this endeavor by exploiting the extensive global collaborative signals present among POIs. However, most of the existing graph-based approaches construct graph structures based on pre-defined heuristics, failing to consider inherent hierarchical structures of POI features such as geographical locations and visiting peaks, or suffering from noisy and incomplete structures in graphs. To address the aforementioned issues, this paper presents a novel Bi-level Graph Structure Learning (BiGSL) for next POI recommendation. BiGSL first learns a hierarchical graph structure to capture the fine-to-coarse connectivity between POIs and prototypes, and then uses a pairwise learning module to dynamically infer relationships between POI pairs and prototype pairs. Based on the learned bi-level graphs, our model then employs a multi-relational graph network that considers both POI- and prototype-level neighbors, resulting in improved POI representations. Our bi-level structure learning scheme is more robust to data noise and incompleteness, and improves the exploration ability for recommendation by alleviating sparsity issues. Experimental results on three real-world datasets demonstrate the superiority of our model over existing state-of-the-art methods, with a significant improvement in recommendation accuracy and exploration performance.
Abstract:Molecular property prediction (MPP) is integral to drug discovery and material science, but often faces the challenge of data scarcity in real-world scenarios. Addressing this, few-shot molecular property prediction (FSMPP) has been developed. Unlike other few-shot tasks, FSMPP typically employs a pre-trained molecular encoder and a context-aware classifier, benefiting from molecular pre-training and molecular context information. Despite these advancements, existing methods struggle with the ineffective fine-tuning of pre-trained encoders. We attribute this issue to the imbalance between the abundance of tunable parameters and the scarcity of labeled molecules, and the lack of contextual perceptiveness in the encoders. To overcome this hurdle, we propose a parameter-efficient in-context tuning method, named Pin-Tuning. Specifically, we propose a lightweight adapter for pre-trained message passing layers (MP-Adapter) and Bayesian weight consolidation for pre-trained atom/bond embedding layers (Emb-BWC), to achieve parameter-efficient tuning while preventing over-fitting and catastrophic forgetting. Additionally, we enhance the MP-Adapters with contextual perceptiveness. This innovation allows for in-context tuning of the pre-trained encoder, thereby improving its adaptability for specific FSMPP tasks. When evaluated on public datasets, our method demonstrates superior tuning with fewer trainable parameters, improving few-shot predictive performance.
Abstract:Multimodal large language models (MLLMs) have made significant strides by integrating visual and textual modalities. A critical factor in training MLLMs is the quality of image-text pairs within multimodal pretraining datasets. However, $\textit {de facto}$ filter-based data quality enhancement paradigms often discard a substantial portion of high-quality image data due to inadequate semantic alignment between images and texts, leading to inefficiencies in data utilization and scalability. In this paper, we propose the Adaptive Image-Text Quality Enhancer (AITQE), a model that dynamically assesses and enhances the quality of image-text pairs. AITQE employs a text rewriting mechanism for low-quality pairs and incorporates a negative sample learning strategy to improve evaluative capabilities by integrating deliberately selected low-quality samples during training. Unlike prior approaches that significantly alter text distributions, our method minimally adjusts text to preserve data volume while enhancing quality. Experimental results demonstrate that AITQE surpasses existing methods on various benchmark, effectively leveraging raw data and scaling efficiently with increasing data volumes. We hope our work will inspire future works. The code and model are available at: https://github.com/hanhuang22/AITQE.
Abstract:Knowledge editing has been proposed as an effective method for updating and correcting the internal knowledge of Large Language Models (LLMs). However, existing editing methods often struggle with complex tasks, such as multi-hop reasoning. In this paper, we identify and investigate the phenomenon of Editing Overfit, where edited models assign disproportionately high probabilities to the edit target, hindering the generalization of new knowledge in complex scenarios. We attribute this issue to the current editing paradigm, which places excessive emphasis on the direct correspondence between the input prompt and the edit target for each edit sample. To further explore this issue, we introduce a new benchmark, EVOKE (EValuation of Editing Overfit in Knowledge Editing), along with fine-grained evaluation metrics. Through comprehensive experiments and analysis, we demonstrate that Editing Overfit is prevalent in current editing methods and that common overfitting mitigation strategies are of limited effectiveness in knowledge editing. To overcome this, inspired by LLMs' knowledge recall mechanisms, we propose a new plug-and-play strategy called Learn to Inference (LTI), which introduce a Multi-stage Inference Constraint module to guide the edited models in recalling new knowledge similarly to how unedited LLMs leverage knowledge through in-context learning. Extensive experimental results across a wide range of tasks validate the effectiveness of LTI in mitigating Editing Overfit.
Abstract:With the emergence of various molecular tasks and massive datasets, how to perform efficient training has become an urgent yet under-explored issue in the area. Data pruning (DP), as an oft-stated approach to saving training burdens, filters out less influential samples to form a coreset for training. However, the increasing reliance on pretrained models for molecular tasks renders traditional in-domain DP methods incompatible. Therefore, we propose a Molecular data Pruning framework for enhanced Generalization (MolPeg), which focuses on the source-free data pruning scenario, where data pruning is applied with pretrained models. By maintaining two models with different updating paces during training, we introduce a novel scoring function to measure the informativeness of samples based on the loss discrepancy. As a plug-and-play framework, MolPeg realizes the perception of both source and target domain and consistently outperforms existing DP methods across four downstream tasks. Remarkably, it can surpass the performance obtained from full-dataset training, even when pruning up to 60-70% of the data on HIV and PCBA dataset. Our work suggests that the discovery of effective data-pruning metrics could provide a viable path to both enhanced efficiency and superior generalization in transfer learning.
Abstract:Large language models (LLMs) face challenges with internal knowledge inaccuracies and outdated information. Knowledge editing has emerged as a pivotal approach to mitigate these issues. Although current knowledge editing techniques exhibit promising performance in single-hop reasoning tasks, they show limitations when applied to multi-hop reasoning. Drawing on cognitive neuroscience and the operational mechanisms of LLMs, we hypothesize that the residual single-hop knowledge after editing causes edited models to revert to their original answers when processing multi-hop questions, thereby undermining their performance in multihop reasoning tasks. To validate this hypothesis, we conduct a series of experiments that empirically confirm our assumptions. Building on the validated hypothesis, we propose a novel knowledge editing method that incorporates a Knowledge Erasure mechanism for Large language model Editing (KELE). Specifically, we design an erasure function for residual knowledge and an injection function for new knowledge. Through joint optimization, we derive the optimal recall vector, which is subsequently utilized within a rank-one editing framework to update the parameters of targeted model layers. Extensive experiments on GPT-J and GPT-2 XL demonstrate that KELE substantially enhances the multi-hop reasoning capability of edited LLMs.
Abstract:This paper addresses the challenge of out-of-distribution (OOD) generalization in graph machine learning, a field rapidly advancing yet grappling with the discrepancy between source and target data distributions. Traditional graph learning algorithms, based on the assumption of uniform distribution between training and test data, falter in real-world scenarios where this assumption fails, resulting in suboptimal performance. A principal factor contributing to this suboptimal performance is the inherent simplicity bias of neural networks trained through Stochastic Gradient Descent (SGD), which prefer simpler features over more complex yet equally or more predictive ones. This bias leads to a reliance on spurious correlations, adversely affecting OOD performance in various tasks such as image recognition, natural language understanding, and graph classification. Current methodologies, including subgraph-mixup and information bottleneck approaches, have achieved partial success but struggle to overcome simplicity bias, often reinforcing spurious correlations. To tackle this, we propose DIVE, training a collection of models to focus on all label-predictive subgraphs by encouraging the models to foster divergence on the subgraph mask, which circumvents the limitation of a model solely focusing on the subgraph corresponding to simple structural patterns. Specifically, we employs a regularizer to punish overlap in extracted subgraphs across models, thereby encouraging different models to concentrate on distinct structural patterns. Model selection for robust OOD performance is achieved through validation accuracy. Tested across four datasets from GOOD benchmark and one dataset from DrugOOD benchmark, our approach demonstrates significant improvement over existing methods, effectively addressing the simplicity bias and enhancing generalization in graph machine learning.
Abstract:Claim verification is a task that involves assessing the truthfulness of a given claim based on multiple evidence pieces. Using large language models (LLMs) for claim verification is a promising way. However, simply feeding all the evidence pieces to an LLM and asking if the claim is factual does not yield good results. The challenge lies in the noisy nature of both the evidence and the claim: evidence passages typically contain irrelevant information, with the key facts hidden within the context, while claims often convey multiple aspects simultaneously. To navigate this "noisy crowd" of information, we propose EACon (Evidence Abstraction and Claim Deconstruction), a framework designed to find key information within evidence and verify each aspect of a claim separately. EACon first finds keywords from the claim and employs fuzzy matching to select relevant keywords for each raw evidence piece. These keywords serve as a guide to extract and summarize critical information into abstracted evidence. Subsequently, EACon deconstructs the original claim into subclaims, which are then verified against both abstracted and raw evidence individually. We evaluate EACon using two open-source LLMs on two challenging datasets. Results demonstrate that EACon consistently and substantially improve LLMs' performance in claim verification.
Abstract:Multimodal out-of-context news is a common type of misinformation on online media platforms. This involves posting a caption, alongside an invalid out-of-context news image. Reflecting its importance, researchers have developed models to detect such misinformation. However, a common limitation of these models is that they only consider the scenario where pre-labeled data is available for each domain, failing to address the out-of-context news detection on unlabeled domains (e.g., unverified news on new topics or agencies). In this work, we therefore focus on domain adaptive out-of-context news detection. In order to effectively adapt the detection model to unlabeled news topics or agencies, we propose ConDA-TTA (Contrastive Domain Adaptation with Test-Time Adaptation) which applies contrastive learning and maximum mean discrepancy (MMD) to learn the domain-invariant feature. In addition, it leverages target domain statistics during test-time to further assist domain adaptation. Experimental results show that our approach outperforms baselines in 5 out of 7 domain adaptation settings on two public datasets, by as much as 2.93% in F1 and 2.08% in accuracy.
Abstract:The rapid spread of information through mobile devices and media has led to the widespread of false or deceptive news, causing significant concerns in society. Among different types of misinformation, image repurposing, also known as out-of-context misinformation, remains highly prevalent and effective. However, current approaches for detecting out-of-context misinformation often lack interpretability and offer limited explanations. In this study, we propose a logic regularization approach for out-of-context detection called LOGRAN (LOGic Regularization for out-of-context ANalysis). The primary objective of LOGRAN is to decompose the out-of-context detection at the phrase level. By employing latent variables for phrase-level predictions, the final prediction of the image-caption pair can be aggregated using logical rules. The latent variables also provide an explanation for how the final result is derived, making this fine-grained detection method inherently explanatory. We evaluate the performance of LOGRAN on the NewsCLIPpings dataset, showcasing competitive overall results. Visualized examples also reveal faithful phrase-level predictions of out-of-context images, accompanied by explanations. This highlights the effectiveness of our approach in addressing out-of-context detection and enhancing interpretability.