On LLM-Enhanced Mixed-Type Data Imputation with High-Order Message Passing

Missing data imputation, which aims to impute the missing values in the raw datasets to achieve the completeness of datasets, is crucial for modern data-driven models like large language models (LLMs) and has attracted increasing interest over the past decades. Despite its importance, existing solutions for missing data imputation either 1) only support numerical and categorical data or 2) show an unsatisfactory performance due to their design prioritizing text data and the lack of key properties for tabular data imputation. In this paper, we propose UnIMP, a Unified IMPutation framework that leverages LLM and high-order message passing to enhance the imputation of mixed-type data including numerical, categorical, and text data. Specifically, we first introduce a cell-oriented hypergraph to model the table. We then propose BiHMP, an efficient Bidirectional High-order Message-Passing network to aggregate global-local information and high-order relationships on the constructed hypergraph while capturing the inter-column heterogeneity and intra-column homogeneity. To effectively and efficiently align the capacity of the LLM with the information aggregated by BiHMP, we introduce Xfusion, which, together with BiHMP, acts as adapters for the LLM. We follow a pre-training and fine-tuning pipeline to train UnIMP, integrating two optimizations: chunking technique, which divides tables into smaller chunks to enhance efficiency; and progressive masking technique, which gradually adapts the model to learn more complex data patterns. Both theoretical proofs and empirical experiments on 10 real world datasets highlight the superiority of UnIMP over existing techniques.

QUART-Online: Latency-Free Large Multimodal Language Model for Quadruped Robot Learning

This paper addresses the inherent inference latency challenges associated with deploying multimodal large language models (MLLM) in quadruped vision-language-action (QUAR-VLA) tasks. Our investigation reveals that conventional parameter reduction techniques ultimately impair the performance of the language foundation model during the action instruction tuning phase, making them unsuitable for this purpose. We introduce a novel latency-free quadruped MLLM model, dubbed QUART-Online, designed to enhance inference efficiency without degrading the performance of the language foundation model. By incorporating Action Chunk Discretization (ACD), we compress the original action representation space, mapping continuous action values onto a smaller set of discrete representative vectors while preserving critical information. Subsequently, we fine-tune the MLLM to integrate vision, language, and compressed actions into a unified semantic space. Experimental results demonstrate that QUART-Online operates in tandem with the existing MLLM system, achieving real-time inference in sync with the underlying controller frequency, significantly boosting the success rate across various tasks by 65%. Our project page is https://quart-online.github.io.

DARWIN 1.5: Large Language Models as Materials Science Adapted Learners

Materials discovery and design aim to find components and structures with desirable properties over highly complex and diverse search spaces. Traditional solutions, such as high-throughput simulations and machine learning (ML), often rely on complex descriptors, which hinder generalizability and transferability across tasks. Moreover, these descriptors may deviate from experimental data due to inevitable defects and purity issues in the real world, which may reduce their effectiveness in practical applications. To address these challenges, we propose Darwin 1.5, an open-source large language model (LLM) tailored for materials science. By leveraging natural language as input, Darwin eliminates the need for task-specific descriptors and enables a flexible, unified approach to material property prediction and discovery. We employ a two-stage training strategy combining question-answering (QA) fine-tuning with multi-task learning (MTL) to inject domain-specific knowledge in various modalities and facilitate cross-task knowledge transfer. Through our strategic approach, we achieved a significant enhancement in the prediction accuracy of LLMs, with a maximum improvement of 60\% compared to LLaMA-7B base models. It further outperforms traditional machine learning models on various tasks in material science, showcasing the potential of LLMs to provide a more versatile and scalable foundation model for materials discovery and design.

Adapting Unsigned Graph Neural Networks for Signed Graphs: A Few-Shot Prompt Tuning Approach

Signed Graph Neural Networks (SGNNs) are powerful tools for signed graph representation learning but struggle with limited generalization and heavy dependence on labeled data. While recent advancements in "graph pre-training and prompt tuning" have reduced label dependence in Graph Neural Networks (GNNs) and improved their generalization abilities by leveraging pre-training knowledge, these efforts have focused exclusively on unsigned graphs. The scarcity of publicly available signed graph datasets makes it essential to transfer knowledge from unsigned graphs to signed graph tasks. However, this transfer introduces significant challenges due to the graph-level and task-level divergences between the pre-training and downstream phases. To address these challenges, we propose Signed Graph Prompt Tuning (SGPT) in this paper. Specifically, SGPT employs a graph template and a semantic prompt to segregate mixed link semantics in the signed graph and then adaptively integrate the distinctive semantic information according to the needs of downstream tasks, thereby unifying the pre-training and downstream graphs. Additionally, SGPT utilizes a task template and a feature prompt to reformulate the downstream signed graph tasks, aligning them with pre-training tasks to ensure a unified optimization objective and consistent feature space across tasks. Finally, extensive experiments are conducted on popular signed graph datasets, demonstrating the superiority of SGPT over state-of-the-art methods.

EEG Signal Denoising Using pix2pix GAN: Enhancing Neurological Data Analysis

Electroencephalography (EEG) is essential in neuroscience and clinical practice, yet it suffers from physiological artifacts, particularly electromyography (EMG), which distort signals. We propose a deep learning model using pix2pixGAN to remove such noise and generate reliable EEG signals. Leveraging the EEGdenoiseNet dataset, we created synthetic datasets with controlled EMG noise levels for model training and testing across a signal-to-noise ratio (SNR) from -7 to 2. Our evaluation metrics included RRMSE and Pearson's CC, assessing both time and frequency domains, and compared our model with others. The pix2pixGAN model excelled, especially under high noise conditions, showing significant improvements in lower RRMSE and higher CC values. This demonstrates the model's superior accuracy and stability in purifying EEG signals, offering a robust solution for EEG analysis challenges and advancing clinical and neuroscience applications.

From Tokens to Materials: Leveraging Language Models for Scientific Discovery

Exploring the predictive capabilities of language models in material science is an ongoing interest. This study investigates the application of language model embeddings to enhance material property prediction in materials science. By evaluating various contextual embedding methods and pre-trained models, including Bidirectional Encoder Representations from Transformers (BERT) and Generative Pre-trained Transformers (GPT), we demonstrate that domain-specific models, particularly MatBERT significantly outperform general-purpose models in extracting implicit knowledge from compound names and material properties. Our findings reveal that information-dense embeddings from the third layer of MatBERT, combined with a context-averaging approach, offer the most effective method for capturing material-property relationships from the scientific literature. We also identify a crucial "tokenizer effect," highlighting the importance of specialized text processing techniques that preserve complete compound names while maintaining consistent token counts. These insights underscore the value of domain-specific training and tokenization in materials science applications and offer a promising pathway for accelerating the discovery and development of new materials through AI-driven approaches.

Paths-over-Graph: Knowledge Graph Empowered Large Language Model Reasoning

Large Language Models (LLMs) have achieved impressive results in various tasks but struggle with hallucination problems and lack of relevant knowledge, especially in deep complex reasoning and knowledge-intensive tasks. Knowledge Graphs (KGs), which capture vast amounts of facts in a structured format, offer a reliable source of knowledge for reasoning. However, existing KG-based LLM reasoning methods face challenges like handling multi-hop reasoning, multi-entity questions, and effectively utilizing graph structures. To address these issues, we propose Paths-over-Graph (PoG), a novel method that enhances LLM reasoning by integrating knowledge reasoning paths from KGs, improving the interpretability and faithfulness of LLM outputs. PoG tackles multi-hop and multi-entity questions through a three-phase dynamic multi-hop path exploration, which combines the inherent knowledge of LLMs with factual knowledge from KGs. In order to improve the efficiency, PoG prunes irrelevant information from the graph exploration first and introduces efficient three-step pruning techniques that incorporate graph structures, LLM prompting, and a pre-trained language model (e.g., SBERT) to effectively narrow down the explored candidate paths. This ensures all reasoning paths contain highly relevant information captured from KGs, making the reasoning faithful and interpretable in problem-solving. PoG innovatively utilizes graph structure to prune the irrelevant noise and represents the first method to implement multi-entity deep path detection on KGs for LLM reasoning tasks. Comprehensive experiments on five benchmark KGQA datasets demonstrate PoG outperforms the state-of-the-art method ToG across GPT-3.5-Turbo and GPT-4, achieving an average accuracy improvement of 18.9%. Notably, PoG with GPT-3.5-Turbo surpasses ToG with GPT-4 by up to 23.9%.

Bridging Large Language Models and Graph Structure Learning Models for Robust Representation Learning

Graph representation learning, involving both node features and graph structures, is crucial for real-world applications but often encounters pervasive noise. State-of-the-art methods typically address noise by focusing separately on node features with large language models (LLMs) and on graph structures with graph structure learning models (GSLMs). In this paper, we introduce LangGSL, a robust framework that integrates the complementary strengths of pre-trained language models and GSLMs to jointly enhance both node feature and graph structure learning. In LangGSL, we first leverage LLMs to filter noise in the raw data and extract valuable cleaned information as features, enhancing the synergy of downstream models. During the mutual learning phase in LangGSL, the core idea is to leverage the relatively small language model (LM) to process local attributes and generate reliable pseudo-labels and informative node embeddings, which are then integrated into the GSLM's prediction phase. This approach enriches the global context and enhances overall performance. Meanwhile, GSLM refines the evolving graph structure constructed from the LM's output, offering updated labels back to the LM as additional guidance, thus facilitating a more effective mutual learning process. The LM and GSLM work synergistically, complementing each other's strengths and offsetting weaknesses within a variational information-maximizing framework, resulting in enhanced node features and a more robust graph structure. Extensive experiments on diverse graph datasets of varying scales and across different task scenarios demonstrate the scalability and effectiveness of the proposed approach.

TCGU: Data-centric Graph Unlearning based on Transferable Condensation

With growing demands for data privacy and model robustness, graph unlearning (GU), which erases the influence of specific data on trained GNN models, has gained significant attention. However, existing exact unlearning methods suffer from either low efficiency or poor model performance. While being more utility-preserving and efficient, current approximate unlearning methods are not applicable in the zero-glance privacy setting, where the deleted samples cannot be accessed during unlearning due to immediate deletion requested by regulations. Besides, these approximate methods, which try to directly perturb model parameters still involve high privacy concerns in practice. To fill the gap, we propose Transferable Condensation Graph Unlearning (TCGU), a data-centric solution to zero-glance graph unlearning. Specifically, we first design a two-level alignment strategy to pre-condense the original graph into a small yet utility-preserving dataset. Upon receiving an unlearning request, we fine-tune the pre-condensed data with a low-rank plugin, to directly align its distribution with the remaining graph, thus efficiently revoking the information of deleted data without accessing them. A novel similarity distribution matching approach and a discrimination regularizer are proposed to effectively transfer condensed data and preserve its utility in GNN training, respectively. Finally, we retrain the GNN on the transferred condensed data. Extensive experiments on 6 benchmark datasets demonstrate that TCGU can achieve superior performance in terms of model utility, unlearning efficiency, and unlearning efficacy than existing GU methods.

RIDA: A Robust Attack Framework on Incomplete Graphs

Graph Neural Networks (GNNs) are vital in data science but are increasingly susceptible to adversarial attacks. To help researchers develop more robust GNN models, it's essential to focus on designing strong attack models as foundational benchmarks and guiding references. Among adversarial attacks, gray-box poisoning attacks are noteworthy due to their effectiveness and fewer constraints. These attacks exploit GNNs' need for retraining on updated data, thereby impacting their performance by perturbing these datasets. However, current research overlooks the real-world scenario of incomplete graphs.To address this gap, we introduce the Robust Incomplete Deep Attack Framework (RIDA). It is the first algorithm for robust gray-box poisoning attacks on incomplete graphs. The approach innovatively aggregates distant vertex information and ensures powerful data utilization.Extensive tests against 9 SOTA baselines on 3 real-world datasets demonstrate RIDA's superiority in handling incompleteness and high attack performance on the incomplete graph.