Daily Papers

Humans describe complex scenes with compositionality, using simple text descriptions enriched with links and relationships. While vision-language research has aimed to develop models with compositional understanding capabilities, this is not reflected yet in existing datasets which, for the most part, still use plain text to describe images. In this work, we propose a new annotation strategy, graph-based captioning (GBC) that describes an image using a labelled graph structure, with nodes of various types. The nodes in GBC are created using, in a first stage, object detection and dense captioning tools nested recursively to uncover and describe entity nodes, further linked together in a second stage by highlighting, using new types of nodes, compositions and relations among entities. Since all GBC nodes hold plain text descriptions, GBC retains the flexibility found in natural language, but can also encode hierarchical information in its edges. We demonstrate that GBC can be produced automatically, using off-the-shelf multimodal LLMs and open-vocabulary detection models, by building a new dataset, GBC10M, gathering GBC annotations for about 10M images of the CC12M dataset. We use GBC10M to showcase the wealth of node captions uncovered by GBC, as measured with CLIP training. We show that using GBC nodes' annotations -- notably those stored in composition and relation nodes -- results in significant performance boost on downstream models when compared to other dataset formats. To further explore the opportunities provided by GBC, we also propose a new attention mechanism that can leverage the entire GBC graph, with encouraging experimental results that show the extra benefits of incorporating the graph structure. Our datasets are released at https://huggingface.co/graph-based-captions.

Understanding the road genome is essential to realize autonomous driving. This highly intelligent problem contains two aspects - the connection relationship of lanes, and the assignment relationship between lanes and traffic elements, where a comprehensive topology reasoning method is vacant. On one hand, previous map learning techniques struggle in deriving lane connectivity with segmentation or laneline paradigms; or prior lane topology-oriented approaches focus on centerline detection and neglect the interaction modeling. On the other hand, the traffic element to lane assignment problem is limited in the image domain, leaving how to construct the correspondence from two views an unexplored challenge. To address these issues, we present TopoNet, the first end-to-end framework capable of abstracting traffic knowledge beyond conventional perception tasks. To capture the driving scene topology, we introduce three key designs: (1) an embedding module to incorporate semantic knowledge from 2D elements into a unified feature space; (2) a curated scene graph neural network to model relationships and enable feature interaction inside the network; (3) instead of transmitting messages arbitrarily, a scene knowledge graph is devised to differentiate prior knowledge from various types of the road genome. We evaluate TopoNet on the challenging scene understanding benchmark, OpenLane-V2, where our approach outperforms all previous works by a great margin on all perceptual and topological metrics. The code is released at https://github.com/OpenDriveLab/TopoNet

Leveraging generative Artificial Intelligence (AI), we have transformed a dataset comprising 1,000 scientific papers into an ontological knowledge graph. Through an in-depth structural analysis, we have calculated node degrees, identified communities and connectivities, and evaluated clustering coefficients and betweenness centrality of pivotal nodes, uncovering fascinating knowledge architectures. The graph has an inherently scale-free nature, is highly connected, and can be used for graph reasoning by taking advantage of transitive and isomorphic properties that reveal unprecedented interdisciplinary relationships that can be used to answer queries, identify gaps in knowledge, propose never-before-seen material designs, and predict material behaviors. We compute deep node embeddings for combinatorial node similarity ranking for use in a path sampling strategy links dissimilar concepts that have previously not been related. One comparison revealed structural parallels between biological materials and Beethoven's 9th Symphony, highlighting shared patterns of complexity through isomorphic mapping. In another example, the algorithm proposed a hierarchical mycelium-based composite based on integrating path sampling with principles extracted from Kandinsky's 'Composition VII' painting. The resulting material integrates an innovative set of concepts that include a balance of chaos/order, adjustable porosity, mechanical strength, and complex patterned chemical functionalization. We uncover other isomorphisms across science, technology and art, revealing a nuanced ontology of immanence that reveal a context-dependent heterarchical interplay of constituents. Graph-based generative AI achieves a far higher degree of novelty, explorative capacity, and technical detail, than conventional approaches and establishes a widely useful framework for innovation by revealing hidden connections.

Virtual sensing techniques allow for inferring signals at new unmonitored locations by exploiting spatio-temporal measurements coming from physical sensors at different locations. However, as the sensor coverage becomes sparse due to costs or other constraints, physical proximity cannot be used to support interpolation. In this paper, we overcome this challenge by leveraging dependencies between the target variable and a set of correlated variables (covariates) that can frequently be associated with each location of interest. From this viewpoint, covariates provide partial observability, and the problem consists of inferring values for unobserved channels by exploiting observations at other locations to learn how such variables can correlate. We introduce a novel graph-based methodology to exploit such relationships and design a graph deep learning architecture, named GgNet, implementing the framework. The proposed approach relies on propagating information over a nested graph structure that is used to learn dependencies between variables as well as locations. GgNet is extensively evaluated under different virtual sensing scenarios, demonstrating higher reconstruction accuracy compared to the state-of-the-art.

The rise of accurate machine learning methods for weather forecasting is creating radical new possibilities for modeling the atmosphere. In the time of climate change, having access to high-resolution forecasts from models like these is also becoming increasingly vital. While most existing Neural Weather Prediction (NeurWP) methods focus on global forecasting, an important question is how these techniques can be applied to limited area modeling. In this work we adapt the graph-based NeurWP approach to the limited area setting and propose a multi-scale hierarchical model extension. Our approach is validated by experiments with a local model for the Nordic region.

Graphs can be leveraged to model polyphonic multitrack symbolic music, where notes, chords and entire sections may be linked at different levels of the musical hierarchy by tonal and rhythmic relationships. Nonetheless, there is a lack of works that consider graph representations in the context of deep learning systems for music generation. This paper bridges this gap by introducing a novel graph representation for music and a deep Variational Autoencoder that generates the structure and the content of musical graphs separately, one after the other, with a hierarchical architecture that matches the structural priors of music. By separating the structure and content of musical graphs, it is possible to condition generation by specifying which instruments are played at certain times. This opens the door to a new form of human-computer interaction in the context of music co-creation. After training the model on existing MIDI datasets, the experiments show that the model is able to generate appealing short and long musical sequences and to realistically interpolate between them, producing music that is tonally and rhythmically consistent. Finally, the visualization of the embeddings shows that the model is able to organize its latent space in accordance with known musical concepts.

There is a recent surge in the development of spatio-temporal forecasting models in the transportation domain. Long-range traffic forecasting, however, remains a challenging task due to the intricate and extensive spatio-temporal correlations observed in traffic networks. Current works primarily rely on road networks with graph structures and learn representations using graph neural networks (GNNs), but this approach suffers from over-smoothing problem in deep architectures. To tackle this problem, recent methods introduced the combination of GNNs with residual connections or neural ordinary differential equations (ODE). However, current graph ODE models face two key limitations in feature extraction: (1) they lean towards global temporal patterns, overlooking local patterns that are important for unexpected events; and (2) they lack dynamic semantic edges in their architectural design. In this paper, we propose a novel architecture called Graph-based Multi-ODE Neural Networks (GRAM-ODE) which is designed with multiple connective ODE-GNN modules to learn better representations by capturing different views of complex local and global dynamic spatio-temporal dependencies. We also add some techniques like shared weights and divergence constraints into the intermediate layers of distinct ODE-GNN modules to further improve their communication towards the forecasting task. Our extensive set of experiments conducted on six real-world datasets demonstrate the superior performance of GRAM-ODE compared with state-of-the-art baselines as well as the contribution of different components to the overall performance. The code is available at https://github.com/zbliu98/GRAM-ODE

Part-of-Speech (POS) tagging is an important component of the NLP pipeline, but many low-resource languages lack labeled data for training. An established method for training a POS tagger in such a scenario is to create a labeled training set by transferring from high-resource languages. In this paper, we propose a novel method for transferring labels from multiple high-resource source to low-resource target languages. We formalize POS tag projection as graph-based label propagation. Given translations of a sentence in multiple languages, we create a graph with words as nodes and alignment links as edges by aligning words for all language pairs. We then propagate node labels from source to target using a Graph Neural Network augmented with transformer layers. We show that our propagation creates training sets that allow us to train POS taggers for a diverse set of languages. When combined with enhanced contextualized embeddings, our method achieves a new state-of-the-art for unsupervised POS tagging of low-resource languages.

In this paper, we introduce a novel graph-based method to classify the regions with similar climate in a local area. We refer our proposed method as Graph Partition Based Method (GPBM). Our proposed method attempts to overcome the shortcomings of the current state-of-the-art methods in the literature. It has no limit on the number of variables that can be used and also preserves the nature of climate data. To illustrate the capability of our proposed algorithm, we benchmark its performance with other state-of-the-art climate classification techniques. The climate data is collected from 24 synoptic stations in Fars province in southern Iran. The data includes seven climate variables stored as time series from 1951 to 2017. Our results exhibit that our proposed method performs a more realistic climate classification with less computational time. It can save more information during the climate classification process and is therefore efficient in further data analysis. Furthermore, using our method, we can introduce seasonal graphs to better investigate seasonal climate changes. To the best of our knowledge, our proposed method is the first graph-based climate classification system.

In community-based question answering (CQA) platforms, automatic answer ranking for a given question is critical for finding potentially popular answers in early times. The mainstream approaches learn to generate answer ranking scores based on the matching degree between question and answer representations as well as the influence of respondents. However, they encounter two main limitations: (1) Correlations between answers in the same question are often overlooked. (2) Question and respondent representations are built independently of specific answers before affecting answer representations. To address the limitations, we devise a novel graph-based tri-attention network, namely GTAN, which has two innovations. First, GTAN proposes to construct a graph for each question and learn answer correlations from each graph through graph neural networks (GNNs). Second, based on the representations learned from GNNs, an alternating tri-attention method is developed to alternatively build target-aware respondent representations, answer-specific question representations, and context-aware answer representations by attention computation. GTAN finally integrates the above representations to generate answer ranking scores. Experiments on three real-world CQA datasets demonstrate GTAN significantly outperforms state-of-the-art answer ranking methods, validating the rationality of the network architecture.

Dialogue-based Role Playing Games (RPGs) require powerful storytelling. The narratives of these may take years to write and typically involve a large creative team. In this work, we demonstrate the potential of large generative text models to assist this process. GRIM, a prototype GRaph-based Interactive narrative visualization system for gaMes, generates a rich narrative graph with branching storylines that match a high-level narrative description and constraints provided by the designer. Game designers can interactively edit the graph by automatically generating new sub-graphs that fit the edits within the original narrative and constraints. We illustrate the use of GRIM in conjunction with GPT-4, generating branching narratives for four well-known stories with different contextual constraints.

The robustness of a model for real-world deployment is decided by how well it performs on unseen data and distinguishes between in-domain and out-of-domain samples. Visual document classifiers have shown impressive performance on in-distribution test sets. However, they tend to have a hard time correctly classifying and differentiating out-of-distribution examples. Image-based classifiers lack the text component, whereas multi-modality transformer-based models face the token serialization problem in visual documents due to their diverse layouts. They also require a lot of computing power during inference, making them impractical for many real-world applications. We propose, GVdoc, a graph-based document classification model that addresses both of these challenges. Our approach generates a document graph based on its layout, and then trains a graph neural network to learn node and graph embeddings. Through experiments, we show that our model, even with fewer parameters, outperforms state-of-the-art models on out-of-distribution data while retaining comparable performance on the in-distribution test set.

As large language models (LLMs) evolve, their ability to deliver personalized and context-aware responses offers transformative potential for improving user experiences. Existing personalization approaches, however, often rely solely on user history to augment the prompt, limiting their effectiveness in generating tailored outputs, especially in cold-start scenarios with sparse data. To address these limitations, we propose Personalized Graph-based Retrieval-Augmented Generation (PGraphRAG), a framework that leverages user-centric knowledge graphs to enrich personalization. By directly integrating structured user knowledge into the retrieval process and augmenting prompts with user-relevant context, PGraphRAG enhances contextual understanding and output quality. We also introduce the Personalized Graph-based Benchmark for Text Generation, designed to evaluate personalized text generation tasks in real-world settings where user history is sparse or unavailable. Experimental results show that PGraphRAG significantly outperforms state-of-the-art personalization methods across diverse tasks, demonstrating the unique advantages of graph-based retrieval for personalization.

Many real-world systems exhibit temporal, dynamic behaviors, which are captured as time series of complex agent interactions. To perform temporal reasoning, current methods primarily encode temporal dynamics through simple sequence-based models. However, in general these models fail to efficiently capture the full spectrum of rich dynamics in the input, since the dynamics is not uniformly distributed. In particular, relevant information might be harder to extract and computing power is wasted for processing all individual timesteps, even if they contain no significant changes or no new information. Here we propose TimeGraphs, a novel approach that characterizes dynamic interactions as a hierarchical temporal graph, diverging from traditional sequential representations. Our approach models the interactions using a compact graph-based representation, enabling adaptive reasoning across diverse time scales. Adopting a self-supervised method, TimeGraphs constructs a multi-level event hierarchy from a temporal input, which is then used to efficiently reason about the unevenly distributed dynamics. This construction process is scalable and incremental to accommodate streaming data. We evaluate TimeGraphs on multiple datasets with complex, dynamic agent interactions, including a football simulator, the Resistance game, and the MOMA human activity dataset. The results demonstrate both robustness and efficiency of TimeGraphs on a range of temporal reasoning tasks. Our approach obtains state-of-the-art performance and leads to a performance increase of up to 12.2% on event prediction and recognition tasks over current approaches. Our experiments further demonstrate a wide array of capabilities including zero-shot generalization, robustness in case of data sparsity, and adaptability to streaming data flow.

Synthesizing high-quality reasoning data for continual training has been proven to be effective in enhancing the performance of Large Language Models (LLMs). However, previous synthetic approaches struggle to easily scale up data and incur high costs in the pursuit of high quality. In this paper, we propose the Graph-based Synthetic Data Pipeline (GSDP), an economical and scalable framework for high-quality reasoning data synthesis. Inspired by knowledge graphs, we extracted knowledge points from seed data and constructed a knowledge point relationships graph to explore their interconnections. By exploring the implicit relationships among knowledge, our method achieves times255 data expansion. Furthermore, GSDP led by open-source models, achieves synthesis quality comparable to GPT-4-0613 while maintaining times100 lower costs. To tackle the most challenging mathematical reasoning task, we present the GSDP-MATH dataset comprising over 1.91 million pairs of math problems and answers. After fine-tuning on GSDP-MATH, GSDP-7B based on Mistral-7B achieves 37.7% accuracy on MATH and 78.4% on GSM8K, demonstrating the effectiveness of our method. The dataset and models trained in this paper will be available.

Biomedical knowledge is uniquely complex and structured, requiring distinct reasoning strategies compared to other scientific disciplines like physics or chemistry. Biomedical scientists do not rely on a single approach to reasoning; instead, they use various strategies, including rule-based, prototype-based, and case-based reasoning. This diversity calls for flexible approaches that accommodate multiple reasoning strategies while leveraging in-domain knowledge. We introduce KGARevion, a knowledge graph (KG) based agent designed to address the complexity of knowledge-intensive medical queries. Upon receiving a query, KGARevion generates relevant triplets by using the knowledge base of the LLM. These triplets are then verified against a grounded KG to filter out erroneous information and ensure that only accurate, relevant data contribute to the final answer. Unlike RAG-based models, this multi-step process ensures robustness in reasoning while adapting to different models of medical reasoning. Evaluations on four gold-standard medical QA datasets show that KGARevion improves accuracy by over 5.2%, outperforming 15 models in handling complex medical questions. To test its capabilities, we curated three new medical QA datasets with varying levels of semantic complexity, where KGARevion achieved a 10.4% improvement in accuracy.

Virtual try-on, a rapidly evolving field in computer vision, is transforming e-commerce by improving customer experiences through precise garment warping and seamless integration onto the human body. While existing methods such as TPS and flow address the garment warping but overlook the finer contextual details. In this paper, we introduce a novel graph based warping technique which emphasizes the value of context in garment flow. Our graph based warping module generates warped garment as well as a coarse person image, which is utilised by a simple refinement network to give a coarse virtual tryon image. The proposed work exploits latent diffusion model to generate the final tryon, treating garment transfer as an inpainting task. The diffusion model is conditioned with decoupled cross attention based inversion of visual and textual information. We introduce an occlusion aware warping constraint that generates dense warped garment, without any holes and occlusion. Our method, validated on VITON-HD and Dresscode datasets, showcases substantial state-of-the-art qualitative and quantitative results showing considerable improvement in garment warping, texture preservation, and overall realism.

The automatic analysis of chemical literature has immense potential to accelerate the discovery of new materials and drugs. Much of the critical information in patent documents and scientific articles is contained in figures, depicting the molecule structures. However, automatically parsing the exact chemical structure is a formidable challenge, due to the amount of detailed information, the diversity of drawing styles, and the need for training data. In this work, we introduce MolGrapher to recognize chemical structures visually. First, a deep keypoint detector detects the atoms. Second, we treat all candidate atoms and bonds as nodes and put them in a graph. This construct allows a natural graph representation of the molecule. Last, we classify atom and bond nodes in the graph with a Graph Neural Network. To address the lack of real training data, we propose a synthetic data generation pipeline producing diverse and realistic results. In addition, we introduce a large-scale benchmark of annotated real molecule images, USPTO-30K, to spur research on this critical topic. Extensive experiments on five datasets show that our approach significantly outperforms classical and learning-based methods in most settings. Code, models, and datasets are available.

Skeleton sequence representation learning has shown great advantages for action recognition due to its promising ability to model human joints and topology. However, the current methods usually require sufficient labeled data for training computationally expensive models, which is labor-intensive and time-consuming. Moreover, these methods ignore how to utilize the fine-grained dependencies among different skeleton joints to pre-train an efficient skeleton sequence learning model that can generalize well across different datasets. In this paper, we propose an efficient skeleton sequence learning framework, named Skeleton Sequence Learning (SSL). To comprehensively capture the human pose and obtain discriminative skeleton sequence representation, we build an asymmetric graph-based encoder-decoder pre-training architecture named SkeletonMAE, which embeds skeleton joint sequence into Graph Convolutional Network (GCN) and reconstructs the masked skeleton joints and edges based on the prior human topology knowledge. Then, the pre-trained SkeletonMAE encoder is integrated with the Spatial-Temporal Representation Learning (STRL) module to build the SSL framework. Extensive experimental results show that our SSL generalizes well across different datasets and outperforms the state-of-the-art self-supervised skeleton-based action recognition methods on FineGym, Diving48, NTU 60 and NTU 120 datasets. Additionally, we obtain comparable performance to some fully supervised methods. The code is avaliable at https://github.com/HongYan1123/SkeletonMAE.

Prior work on Data-To-Text Generation, the task of converting knowledge graph (KG) triples into natural text, focused on domain-specific benchmark datasets. In this paper, however, we verbalize the entire English Wikidata KG, and discuss the unique challenges associated with a broad, open-domain, large-scale verbalization. We further show that verbalizing a comprehensive, encyclopedic KG like Wikidata can be used to integrate structured KGs and natural language corpora. In contrast to the many architectures that have been developed to integrate these two sources, our approach converts the KG into natural text, allowing it to be seamlessly integrated into existing language models. It carries the further advantages of improved factual accuracy and reduced toxicity in the resulting language model. We evaluate this approach by augmenting the retrieval corpus in a retrieval language model and showing significant improvements on the knowledge intensive tasks of open domain QA and the LAMA knowledge probe.

Tabular data is a crucial form of information expression, which can organize data in a standard structure for easy information retrieval and comparison. However, in financial industry and many other fields tables are often disclosed in unstructured digital files, e.g. Portable Document Format (PDF) and images, which are difficult to be extracted directly. In this paper, to facilitate deep learning based table extraction from unstructured digital files, we publish a standard Chinese dataset named FinTab, which contains more than 1,600 financial tables of diverse kinds and their corresponding structure representation in JSON. In addition, we propose a novel graph-based convolutional neural network model named GFTE as a baseline for future comparison. GFTE integrates image feature, position feature and textual feature together for precise edge prediction and reaches overall good results.

Intrusion detection system (IDS) is an important part of enterprise security system architecture. In particular, anomaly-based IDS has been widely applied to detect abnormal process behaviors that deviate from the majority. However, such abnormal behavior usually consists of a series of low-level heterogeneous events. The gap between the low-level events and the high-level abnormal behaviors makes it hard to infer which single events are related to the real abnormal activities, especially considering that there are massive "noisy" low-level events happening in between. Hence, the existing work that focus on detecting single entities/events can hardly achieve high detection accuracy. Different from previous work, we design and implement GID, an efficient graph-based intrusion detection technique that can identify abnormal event sequences from a massive heterogeneous process traces with high accuracy. GID first builds a compact graph structure to capture the interactions between different system entities. The suspiciousness or anomaly score of process paths is then measured by leveraging random walk technique to the constructed acyclic directed graph. To eliminate the score bias from the path length, the Box-Cox power transformation based approach is introduced to normalize the anomaly scores so that the scores of paths of different lengths have the same distribution. The efficiency of suspicious path discovery is further improved by the proposed optimization scheme. We fully implement our GID algorithm and deploy it into a real enterprise security system, and it greatly helps detect the advanced threats, and optimize the incident response. Executing GID on system monitoring datasets showing that GID is efficient (about 2 million records per minute) and accurate (higher than 80% in terms of detection rate).

Structured representations like graphs and parse trees play a crucial role in many Natural Language Processing systems. In recent years, the advancements in multi-turn user interfaces necessitate the need for controlling and updating these structured representations given new sources of information. Although there have been many efforts focusing on improving the performance of the parsers that map text to graphs or parse trees, very few have explored the problem of directly manipulating these representations. In this paper, we explore the novel problem of graph modification, where the systems need to learn how to update an existing scene graph given a new user's command. Our novel models based on graph-based sparse transformer and cross attention information fusion outperform previous systems adapted from the machine translation and graph generation literature. We further contribute our large graph modification datasets to the research community to encourage future research for this new problem.

Long-context capabilities are essential for large language models (LLMs) to tackle complex and long-input tasks. Despite numerous efforts made to optimize LLMs for long contexts, challenges persist in robustly processing long inputs. In this paper, we introduce GraphReader, a graph-based agent system designed to handle long texts by structuring them into a graph and employing an agent to explore this graph autonomously. Upon receiving a question, the agent first undertakes a step-by-step analysis and devises a rational plan. It then invokes a set of predefined functions to read node content and neighbors, facilitating a coarse-to-fine exploration of the graph. Throughout the exploration, the agent continuously records new insights and reflects on current circumstances to optimize the process until it has gathered sufficient information to generate an answer. Experimental results on the LV-Eval dataset reveal that GraphReader, using a 4k context window, consistently outperforms GPT-4-128k across context lengths from 16k to 256k by a large margin. Additionally, our approach demonstrates superior performance on four challenging single-hop and multi-hop benchmarks.

Prior research on training grounded factuality classification models to detect hallucinations in large language models (LLMs) has relied on public natural language inference (NLI) data and synthetic data. However, conventional NLI datasets are not well-suited for document-level reasoning, which is critical for detecting LLM hallucinations. Recent approaches to document-level synthetic data generation involve iteratively removing sentences from documents and annotating factuality using LLM-based prompts. While effective, this method is computationally expensive for long documents and limited by the LLM's capabilities. In this work, we analyze the differences between existing synthetic training data used in state-of-the-art models and real LLM output claims. Based on our findings, we propose a novel approach for synthetic data generation, CG2C, that leverages multi-hop reasoning on context graphs extracted from documents. Our fact checker model, FactCG, demonstrates improved performance with more connected reasoning, using the same backbone models. Experiments show it even outperforms GPT-4-o on the LLM-Aggrefact benchmark with much smaller model size.

This paper reports Deep LOGISMOS approach to 3D tumor segmentation by incorporating boundary information derived from deep contextual learning to LOGISMOS - layered optimal graph image segmentation of multiple objects and surfaces. Accurate and reliable tumor segmentation is essential to tumor growth analysis and treatment selection. A fully convolutional network (FCN), UNet, is first trained using three adjacent 2D patches centered at the tumor, providing contextual UNet segmentation and probability map for each 2D patch. The UNet segmentation is then refined by Gaussian Mixture Model (GMM) and morphological operations. The refined UNet segmentation is used to provide the initial shape boundary to build a segmentation graph. The cost for each node of the graph is determined by the UNet probability maps. Finally, a max-flow algorithm is employed to find the globally optimal solution thus obtaining the final segmentation. For evaluation, we applied the method to pancreatic tumor segmentation on a dataset of 51 CT scans, among which 30 scans were used for training and 21 for testing. With Deep LOGISMOS, DICE Similarity Coefficient (DSC) and Relative Volume Difference (RVD) reached 83.2+-7.8% and 18.6+-17.4% respectively, both are significantly improved (p<0.05) compared with contextual UNet and/or LOGISMOS alone.

Retrieval-augmented generation (RAG) improves the response quality of large language models (LLMs) by retrieving knowledge from external databases. Typical RAG approaches split the text database into chunks, organizing them in a flat structure for efficient searches. To better capture the inherent dependencies and structured relationships across the text database, researchers propose to organize textual information into an indexing graph, known asgraph-based RAG. However, we argue that the limitation of current graph-based RAG methods lies in the redundancy of the retrieved information, rather than its insufficiency. Moreover, previous methods use a flat structure to organize retrieved information within the prompts, leading to suboptimal performance. To overcome these limitations, we propose PathRAG, which retrieves key relational paths from the indexing graph, and converts these paths into textual form for prompting LLMs. Specifically, PathRAG effectively reduces redundant information with flow-based pruning, while guiding LLMs to generate more logical and coherent responses with path-based prompting. Experimental results show that PathRAG consistently outperforms state-of-the-art baselines across six datasets and five evaluation dimensions. The code is available at the following link: https://github.com/BUPT-GAMMA/PathRAG

Traditional 2D pose estimation models are limited by their category-specific design, making them suitable only for predefined object categories. This restriction becomes particularly challenging when dealing with novel objects due to the lack of relevant training data. To address this limitation, category-agnostic pose estimation (CAPE) was introduced. CAPE aims to enable keypoint localization for arbitrary object categories using a single model, requiring minimal support images with annotated keypoints. This approach not only enables object pose generation based on arbitrary keypoint definitions but also significantly reduces the associated costs, paving the way for versatile and adaptable pose estimation applications. We present a novel approach to CAPE that leverages the inherent geometrical relations between keypoints through a newly designed Graph Transformer Decoder. By capturing and incorporating this crucial structural information, our method enhances the accuracy of keypoint localization, marking a significant departure from conventional CAPE techniques that treat keypoints as isolated entities. We validate our approach on the MP-100 benchmark, a comprehensive dataset comprising over 20,000 images spanning more than 100 categories. Our method outperforms the prior state-of-the-art by substantial margins, achieving remarkable improvements of 2.16% and 1.82% under 1-shot and 5-shot settings, respectively. Furthermore, our method's end-to-end training demonstrates both scalability and efficiency compared to previous CAPE approaches.

Although the great success of open-domain dialogue generation, unseen entities can have a large impact on the dialogue generation task. It leads to performance degradation of the model in the dialog generation. Previous researches used retrieved knowledge of seen entities as the auxiliary data to enhance the representation of the model. Nevertheless, logical explanation of unseen entities remains unexplored, such as possible co-occurrence or semantically similar words of them and their entity category. In this work, we propose an approach to address the challenge above. We construct a graph by extracting entity nodes in them, enhancing the representation of the context of the unseen entity with the entity's 1-hop surrounding nodes. Furthermore, We added the named entity tag prediction task to apply the problem that the unseen entity does not exist in the graph. We conduct our experiments on an open dataset Wizard of Wikipedia and the empirical results indicate that our approach outperforms the state-of-the-art approaches on Wizard of Wikipedia.

Aspect-based Sentiment Analysis (ABSA) seeks to predict the sentiment polarity of a sentence toward a specific aspect. Recently, it has been shown that dependency trees can be integrated into deep learning models to produce the state-of-the-art performance for ABSA. However, these models tend to compute the hidden/representation vectors without considering the aspect terms and fail to benefit from the overall contextual importance scores of the words that can be obtained from the dependency tree for ABSA. In this work, we propose a novel graph-based deep learning model to overcome these two issues of the prior work on ABSA. In our model, gate vectors are generated from the representation vectors of the aspect terms to customize the hidden vectors of the graph-based models toward the aspect terms. In addition, we propose a mechanism to obtain the importance scores for each word in the sentences based on the dependency trees that are then injected into the model to improve the representation vectors for ABSA. The proposed model achieves the state-of-the-art performance on three benchmark datasets.

We propose a filtering feature selection framework that considers subsets of features as paths in a graph, where a node is a feature and an edge indicates pairwise (customizable) relations among features, dealing with relevance and redundancy principles. By two different interpretations (exploiting properties of power series of matrices and relying on Markov chains fundamentals) we can evaluate the values of paths (i.e., feature subsets) of arbitrary lengths, eventually go to infinite, from which we dub our framework Infinite Feature Selection (Inf-FS). Going to infinite allows to constrain the computational complexity of the selection process, and to rank the features in an elegant way, that is, considering the value of any path (subset) containing a particular feature. We also propose a simple unsupervised strategy to cut the ranking, so providing the subset of features to keep. In the experiments, we analyze diverse settings with heterogeneous features, for a total of 11 benchmarks, comparing against 18 widely-known comparative approaches. The results show that Inf-FS behaves better in almost any situation, that is, when the number of features to keep are fixed a priori, or when the decision of the subset cardinality is part of the process.

GraphRAG addresses significant challenges in Retrieval-Augmented Generation (RAG) by leveraging graphs with embedded knowledge to enhance the reasoning capabilities of Large Language Models (LLMs). Despite its promising potential, the GraphRAG community currently lacks a unified framework for fine-grained decomposition of the graph-based knowledge retrieval process. Furthermore, there is no systematic categorization or evaluation of existing solutions within the retrieval process. In this paper, we present LEGO-GraphRAG, a modular framework that decomposes the retrieval process of GraphRAG into three interconnected modules: subgraph-extraction, path-filtering, and path-refinement. We systematically summarize and classify the algorithms and neural network (NN) models relevant to each module, providing a clearer understanding of the design space for GraphRAG instances. Additionally, we identify key design factors, such as Graph Coupling and Computational Cost, that influence the effectiveness of GraphRAG implementations. Through extensive empirical studies, we construct high-quality GraphRAG instances using a representative selection of solutions and analyze their impact on retrieval and reasoning performance. Our findings offer critical insights into optimizing GraphRAG instance design, ultimately contributing to the advancement of more accurate and contextually relevant LLM applications.

Methods to evaluate Large Language Model (LLM) responses and detect inconsistencies, also known as hallucinations, with respect to the provided knowledge, are becoming increasingly important for LLM applications. Current metrics fall short in their ability to provide explainable decisions, systematically check all pieces of information in the response, and are often too computationally expensive to be used in practice. We present GraphEval: a hallucination evaluation framework based on representing information in Knowledge Graph (KG) structures. Our method identifies the specific triples in the KG that are prone to hallucinations and hence provides more insight into where in the response a hallucination has occurred, if at all, than previous methods. Furthermore, using our approach in conjunction with state-of-the-art natural language inference (NLI) models leads to an improvement in balanced accuracy on various hallucination benchmarks, compared to using the raw NLI models. Lastly, we explore the use of GraphEval for hallucination correction by leveraging the structure of the KG, a method we name GraphCorrect, and demonstrate that the majority of hallucinations can indeed be rectified.

This study introduces a novel framework, G3Reg, for fast and robust global registration of LiDAR point clouds. In contrast to conventional complex keypoints and descriptors, we extract fundamental geometric primitives, including planes, clusters, and lines (PCL) from the raw point cloud to obtain low-level semantic segments. Each segment is represented as a unified Gaussian Ellipsoid Model (GEM), using a probability ellipsoid to ensure the ground truth centers are encompassed with a certain degree of probability. Utilizing these GEMs, we present a distrust-and-verify scheme based on a Pyramid Compatibility Graph for Global Registration (PAGOR). Specifically, we establish an upper bound, which can be traversed based on the confidence level for compatibility testing to construct the pyramid graph. Then, we solve multiple maximum cliques (MAC) for each level of the pyramid graph, thus generating the corresponding transformation candidates. In the verification phase, we adopt a precise and efficient metric for point cloud alignment quality, founded on geometric primitives, to identify the optimal candidate. The algorithm's performance is validated on three publicly available datasets and a self-collected multi-session dataset. Parameter settings remained unchanged during the experiment evaluations. The results exhibit superior robustness and real-time performance of the G3Reg framework compared to state-of-the-art methods. Furthermore, we demonstrate the potential for integrating individual GEM and PAGOR components into other registration frameworks to enhance their efficacy. Code: https://github.com/HKUST-Aerial-Robotics/G3Reg

We propose a novel transformer-based framework that reconstructs two high fidelity hands from multi-view RGB images. Unlike existing hand pose estimation methods, where one typically trains a deep network to regress hand model parameters from single RGB image, we consider a more challenging problem setting where we directly regress the absolute root poses of two-hands with extended forearm at high resolution from egocentric view. As existing datasets are either infeasible for egocentric viewpoints or lack background variations, we create a large-scale synthetic dataset with diverse scenarios and collect a real dataset from multi-calibrated camera setup to verify our proposed multi-view image feature fusion strategy. To make the reconstruction physically plausible, we propose two strategies: (i) a coarse-to-fine spectral graph convolution decoder to smoothen the meshes during upsampling and (ii) an optimisation-based refinement stage at inference to prevent self-penetrations. Through extensive quantitative and qualitative evaluations, we show that our framework is able to produce realistic two-hand reconstructions and demonstrate the generalisation of synthetic-trained models to real data, as well as real-time AR/VR applications.

Recent progress in Graph Neural Networks has resulted in wide adoption by many applications, including recommendation systems. The reason for Graph Neural Networks' superiority over other approaches is that many problems in recommendation systems can be naturally modeled as graphs, where nodes can be either users or items and edges represent preference relationships. In current Graph Neural Network approaches, nodes are represented with a static vector learned at training time. This static vector might only be suitable to capture some of the nuances of users or items they define. To overcome this limitation, we propose using a recently proposed model inspired by category theory: Sheaf Neural Networks. Sheaf Neural Networks, and its connected Laplacian, can address the previous problem by associating every node (and edge) with a vector space instead than a single vector. The vector space representation is richer and allows picking the proper representation at inference time. This approach can be generalized for different related tasks on graphs and achieves state-of-the-art performance in terms of F1-Score@N in collaborative filtering and Hits@20 in link prediction. For collaborative filtering, the approach is evaluated on the MovieLens 100K with a 5.1% improvement, on MovieLens 1M with a 5.4% improvement and on Book-Crossing with a 2.8% improvement, while for link prediction on the ogbl-ddi dataset with a 1.6% refinement with respect to the respective baselines.

The task of Legal Statute Identification (LSI) aims to identify the legal statutes that are relevant to a given description of Facts or evidence of a legal case. Existing methods only utilize the textual content of Facts and legal articles to guide such a task. However, the citation network among case documents and legal statutes is a rich source of additional information, which is not considered by existing models. In this work, we take the first step towards utilising both the text and the legal citation network for the LSI task. We curate a large novel dataset for this task, including Facts of cases from several major Indian Courts of Law, and statutes from the Indian Penal Code (IPC). Modeling the statutes and training documents as a heterogeneous graph, our proposed model LeSICiN can learn rich textual and graphical features, and can also tune itself to correlate these features. Thereafter, the model can be used to inductively predict links between test documents (new nodes whose graphical features are not available to the model) and statutes (existing nodes). Extensive experiments on the dataset show that our model comfortably outperforms several state-of-the-art baselines, by exploiting the graphical structure along with textual features. The dataset and our codes are available at https://github.com/Law-AI/LeSICiN.

Causal structures for observational survival data provide crucial information regarding the relationships between covariates and time-to-event. We derive motivation from the information theoretic source coding argument, and show that incorporating the knowledge of the directed acyclic graph (DAG) can be beneficial if suitable source encoders are employed. As a possible source encoder in this context, we derive a variational inference based conditional variational autoencoder for causal structured survival prediction, which we refer to as DAGSurv. We illustrate the performance of DAGSurv on low and high-dimensional synthetic datasets, and real-world datasets such as METABRIC and GBSG. We demonstrate that the proposed method outperforms other survival analysis baselines such as Cox Proportional Hazards, DeepSurv and Deephit, which are oblivious to the underlying causal relationship between data entities.

Electronic Health Records (EHR) are high-dimensional data with implicit connections among thousands of medical concepts. These connections, for instance, the co-occurrence of diseases and lab-disease correlations can be informative when only a subset of these variables is documented by the clinician. A feasible approach to improving the representation learning of EHR data is to associate relevant medical concepts and utilize these connections. Existing medical ontologies can be the reference for EHR structures, but they place numerous constraints on the data source. Recent progress on graph neural networks (GNN) enables end-to-end learning of topological structures for non-grid or non-sequential data. However, there are problems to be addressed on how to learn the medical graph adaptively and how to understand the effect of the medical graph on representation learning. In this paper, we propose a variationally regularized encoder-decoder graph network that achieves more robustness in graph structure learning by regularizing node representations. Our model outperforms the existing graph and non-graph based methods in various EHR predictive tasks based on both public data and real-world clinical data. Besides the improvements in empirical experiment performances, we provide an interpretation of the effect of variational regularization compared to standard graph neural network, using singular value analysis.

With the web getting bigger and assimilating knowledge about different concepts and domains, it is becoming very difficult for simple database driven applications to capture the data for a domain. Thus developers have come out with ontology based systems which can store large amount of information and can apply reasoning and produce timely information. Thus facilitating effective knowledge management. Though this approach has made our lives easier, but at the same time has given rise to another problem. Two different ontologies assimilating same knowledge tend to use different terms for the same concepts. This creates confusion among knowledge engineers and workers, as they do not know which is a better term then the other. Thus we need to merge ontologies working on same domain so that the engineers can develop a better application over it. This paper shows the development of one such matcher which merges the concepts available in two ontologies at two levels; 1) at string level and 2) at semantic level; thus producing better merged ontologies. We have used a graph matching technique which works at the core of the system. We have also evaluated the system and have tested its performance with its predecessor which works only on string matching. Thus current approach produces better results.

Since long, corporations are looking for knowledge sources which can provide structured description of data and can focus on meaning and shared understanding. Structures which can facilitate open world assumptions and can be flexible enough to incorporate and recognize more than one name for an entity. A source whose major purpose is to facilitate human communication and interoperability. Clearly, databases fail to provide these features and ontologies have emerged as an alternative choice, but corporations working on same domain tend to make different ontologies. The problem occurs when they want to share their data/knowledge. Thus we need tools to merge ontologies into one. This task is termed as ontology matching. This is an emerging area and still we have to go a long way in having an ideal matcher which can produce good results. In this paper we have shown a framework to matching ontologies using graphs.

Low-resource languages (LRLs) face significant challenges in natural language processing (NLP) due to limited data. While current state-of-the-art large language models (LLMs) still struggle with LRLs, smaller multilingual models (mLMs) such as mBERT and XLM-R offer greater promise due to a better fit of their capacity to low training data sizes. This study systematically investigates parameter-efficient adapter-based methods for adapting mLMs to LRLs, evaluating three architectures: Sequential Bottleneck, Invertible Bottleneck, and Low-Rank Adaptation. Using unstructured text from GlotCC and structured knowledge from ConceptNet, we show that small adaptation datasets (e.g., up to 1 GB of free-text or a few MB of knowledge graph data) yield gains in intrinsic (masked language modeling) and extrinsic tasks (topic classification, sentiment analysis, and named entity recognition). We find that Sequential Bottleneck adapters excel in language modeling, while Invertible Bottleneck adapters slightly outperform other methods on downstream tasks due to better embedding alignment and larger parameter counts. Adapter-based methods match or outperform full fine-tuning while using far fewer parameters, and smaller mLMs prove more effective for LRLs than massive LLMs like LLaMA-3, GPT-4, and DeepSeek-R1-based distilled models. While adaptation improves performance, pre-training data size remains the dominant factor, especially for languages with extensive pre-training coverage.

Natural reading orders of words are crucial for information extraction from form-like documents. Despite recent advances in Graph Convolutional Networks (GCNs) on modeling spatial layout patterns of documents, they have limited ability to capture reading orders of given word-level node representations in a graph. We propose Reading Order Equivariant Positional Encoding (ROPE), a new positional encoding technique designed to apprehend the sequential presentation of words in documents. ROPE generates unique reading order codes for neighboring words relative to the target word given a word-level graph connectivity. We study two fundamental document entity extraction tasks including word labeling and word grouping on the public FUNSD dataset and a large-scale payment dataset. We show that ROPE consistently improves existing GCNs with a margin up to 8.4% F1-score.

Videos of robots interacting with objects encode rich information about the objects' dynamics. However, existing video prediction approaches typically do not explicitly account for the 3D information from videos, such as robot actions and objects' 3D states, limiting their use in real-world robotic applications. In this work, we introduce a framework to learn object dynamics directly from multi-view RGB videos by explicitly considering the robot's action trajectories and their effects on scene dynamics. We utilize the 3D Gaussian representation of 3D Gaussian Splatting (3DGS) to train a particle-based dynamics model using Graph Neural Networks. This model operates on sparse control particles downsampled from the densely tracked 3D Gaussian reconstructions. By learning the neural dynamics model on offline robot interaction data, our method can predict object motions under varying initial configurations and unseen robot actions. The 3D transformations of Gaussians can be interpolated from the motions of control particles, enabling the rendering of predicted future object states and achieving action-conditioned video prediction. The dynamics model can also be applied to model-based planning frameworks for object manipulation tasks. We conduct experiments on various kinds of deformable materials, including ropes, clothes, and stuffed animals, demonstrating our framework's ability to model complex shapes and dynamics. Our project page is available at https://gs-dynamics.github.io.

Feature selection is playing an increasingly significant role with respect to many computer vision applications spanning from object recognition to visual object tracking. However, most of the recent solutions in feature selection are not robust across different and heterogeneous set of data. In this paper, we address this issue proposing a robust probabilistic latent graph-based feature selection algorithm that performs the ranking step while considering all the possible subsets of features, as paths on a graph, bypassing the combinatorial problem analytically. An appealing characteristic of the approach is that it aims to discover an abstraction behind low-level sensory data, that is, relevancy. Relevancy is modelled as a latent variable in a PLSA-inspired generative process that allows the investigation of the importance of a feature when injected into an arbitrary set of cues. The proposed method has been tested on ten diverse benchmarks, and compared against eleven state of the art feature selection methods. Results show that the proposed approach attains the highest performance levels across many different scenarios and difficulties, thereby confirming its strong robustness while setting a new state of the art in feature selection domain.

Soft object manipulation poses significant challenges for robots, requiring effective techniques for state representation and manipulation policy learning. State representation involves capturing the dynamic changes in the environment, while manipulation policy learning focuses on establishing the relationship between robot actions and state transformations to achieve specific goals. To address these challenges, this research paper introduces a novel approach: a dynamic heterogeneous graph-based model for learning goal-oriented soft object manipulation policies. The proposed model utilizes graphs as a unified representation for both states and policy learning. By leveraging the dynamic graph, we can extract crucial information regarding object dynamics and manipulation policies. Furthermore, the model facilitates the integration of demonstrations, enabling guided policy learning. To evaluate the efficacy of our approach, we designed a dough rolling task and conducted experiments using both a differentiable simulator and a real-world humanoid robot. Additionally, several ablation studies were performed to analyze the effect of our method, demonstrating its superiority in achieving human-like behavior.

Protein function prediction is a crucial task in bioinformatics, with significant implications for understanding biological processes and disease mechanisms. While the relationship between sequence and function has been extensively explored, translating protein structure to function continues to present substantial challenges. Various models, particularly, CNN and graph-based deep learning approaches that integrate structural and functional data, have been proposed to address these challenges. However, these methods often fall short in elucidating the functional significance of key residues essential for protein functionality, as they predominantly adopt a retrospective perspective, leading to suboptimal performance. Inspired by region proposal networks in computer vision, we introduce the Protein Region Proposal Network (ProteinRPN) for accurate protein function prediction. Specifically, the region proposal module component of ProteinRPN identifies potential functional regions (anchors) which are refined through the hierarchy-aware node drop pooling layer favoring nodes with defined secondary structures and spatial proximity. The representations of the predicted functional nodes are enriched using attention mechanisms and subsequently fed into a Graph Multiset Transformer, which is trained with supervised contrastive (SupCon) and InfoNCE losses on perturbed protein structures. Our model demonstrates significant improvements in predicting Gene Ontology (GO) terms, effectively localizing functional residues within protein structures. The proposed framework provides a robust, scalable solution for protein function annotation, advancing the understanding of protein structure-function relationships in computational biology.

This study introduces a parameter-efficient Hierarchical Spatial Temporal Network (HiSTN) specifically designed for the task of emotion classification using multi-channel electroencephalogram data. The network incorporates a graph hierarchy constructed from bottom-up at various abstraction levels, offering the dual advantages of enhanced task-relevant deep feature extraction and a lightweight design. The model's effectiveness is further amplified when used in conjunction with a proposed unique label smoothing method. Comprehensive benchmark experiments reveal that this combined approach yields high, balanced performance in terms of both quantitative and qualitative predictions. HiSTN, which has approximately 1,000 parameters, achieves mean F1 scores of 96.82% (valence) and 95.62% (arousal) in subject-dependent tests on the rarely-utilized 5-classification task problem from the DREAMER dataset. In the subject-independent settings, the same model yields mean F1 scores of 78.34% for valence and 81.59% for arousal. The adoption of the Sequential Top-2 Hit Rate (Seq2HR) metric highlights the significant enhancements in terms of the balance between model's quantitative and qualitative for predictions achieved through our approach when compared to training with regular one-hot labels. These improvements surpass 50% in subject-dependent tasks and 30% in subject-independent tasks. The study also includes relevant ablation studies and case explorations to further elucidate the workings of the proposed model and enhance its interpretability.

Conversational recommender systems (CRS) enable the traditional recommender systems to explicitly acquire user preferences towards items and attributes through interactive conversations. Reinforcement learning (RL) is widely adopted to learn conversational recommendation policies to decide what attributes to ask, which items to recommend, and when to ask or recommend, at each conversation turn. However, existing methods mainly target at solving one or two of these three decision-making problems in CRS with separated conversation and recommendation components, which restrict the scalability and generality of CRS and fall short of preserving a stable training procedure. In the light of these challenges, we propose to formulate these three decision-making problems in CRS as a unified policy learning task. In order to systematically integrate conversation and recommendation components, we develop a dynamic weighted graph based RL method to learn a policy to select the action at each conversation turn, either asking an attribute or recommending items. Further, to deal with the sample efficiency issue, we propose two action selection strategies for reducing the candidate action space according to the preference and entropy information. Experimental results on two benchmark CRS datasets and a real-world E-Commerce application show that the proposed method not only significantly outperforms state-of-the-art methods but also enhances the scalability and stability of CRS.

Large Language Models (LLMs) have showcased impressive reasoning capabilities, particularly when guided by specifically designed prompts in complex reasoning tasks such as math word problems. These models typically solve tasks using a chain-of-thought approach, which not only bolsters their reasoning abilities but also provides valuable insights into their problem-solving process. However, there is still significant room for enhancing the reasoning abilities of LLMs. Some studies suggest that the integration of an LLM output verifier can boost reasoning accuracy without necessitating additional model training. In this paper, we follow these studies and introduce a novel graph-based method to further augment the reasoning capabilities of LLMs. We posit that multiple solutions to a reasoning task, generated by an LLM, can be represented as a reasoning graph due to the logical connections between intermediate steps from different reasoning paths. Therefore, we propose the Reasoning Graph Verifier (RGV) to analyze and verify the solutions generated by LLMs. By evaluating these graphs, models can yield more accurate and reliable results.Our experimental results show that our graph-based verification method not only significantly enhances the reasoning abilities of LLMs but also outperforms existing verifier methods in terms of improving these models' reasoning performance.

We introduce a novel approach to enhance the capabilities of text-to-image models by incorporating a graph-based RAG. Our system dynamically retrieves detailed character information and relational data from the knowledge graph, enabling the generation of visually accurate and contextually rich images. This capability significantly improves upon the limitations of existing T2I models, which often struggle with the accurate depiction of complex or culturally specific subjects due to dataset constraints. Furthermore, we propose a novel self-correcting mechanism for text-to-image models to ensure consistency and fidelity in visual outputs, leveraging the rich context from the graph to guide corrections. Our qualitative and quantitative experiments demonstrate that Context Canvas significantly enhances the capabilities of popular models such as Flux, Stable Diffusion, and DALL-E, and improves the functionality of ControlNet for fine-grained image editing tasks. To our knowledge, Context Canvas represents the first application of graph-based RAG in enhancing T2I models, representing a significant advancement for producing high-fidelity, context-aware multi-faceted images.

Scene graphs offer a structured, hierarchical representation of images, with nodes and edges symbolizing objects and the relationships among them. It can serve as a natural interface for image editing, dramatically improving precision and flexibility. Leveraging this benefit, we introduce a new framework that integrates large language model (LLM) with Text2Image generative model for scene graph-based image editing. This integration enables precise modifications at the object level and creative recomposition of scenes without compromising overall image integrity. Our approach involves two primary stages: 1) Utilizing a LLM-driven scene parser, we construct an image's scene graph, capturing key objects and their interrelationships, as well as parsing fine-grained attributes such as object masks and descriptions. These annotations facilitate concept learning with a fine-tuned diffusion model, representing each object with an optimized token and detailed description prompt. 2) During the image editing phase, a LLM editing controller guides the edits towards specific areas. These edits are then implemented by an attention-modulated diffusion editor, utilizing the fine-tuned model to perform object additions, deletions, replacements, and adjustments. Through extensive experiments, we demonstrate that our framework significantly outperforms existing image editing methods in terms of editing precision and scene aesthetics.

This study introduces DrivAerNet, a large-scale high-fidelity CFD dataset of 3D industry-standard car shapes, and RegDGCNN, a dynamic graph convolutional neural network model, both aimed at aerodynamic car design through machine learning. DrivAerNet, with its 4000 detailed 3D car meshes using 0.5 million surface mesh faces and comprehensive aerodynamic performance data comprising of full 3D pressure, velocity fields, and wall-shear stresses, addresses the critical need for extensive datasets to train deep learning models in engineering applications. It is 60\% larger than the previously available largest public dataset of cars, and is the only open-source dataset that also models wheels and underbody. RegDGCNN leverages this large-scale dataset to provide high-precision drag estimates directly from 3D meshes, bypassing traditional limitations such as the need for 2D image rendering or Signed Distance Fields (SDF). By enabling fast drag estimation in seconds, RegDGCNN facilitates rapid aerodynamic assessments, offering a substantial leap towards integrating data-driven methods in automotive design. Together, DrivAerNet and RegDGCNN promise to accelerate the car design process and contribute to the development of more efficient vehicles. To lay the groundwork for future innovations in the field, the dataset and code used in our study are publicly accessible at https://github.com/Mohamedelrefaie/DrivAerNet

Document AI aims to automatically analyze documents by leveraging natural language processing and computer vision techniques. One of the major tasks of Document AI is document layout analysis, which structures document pages by interpreting the content and spatial relationships of layout, image, and text. This task can be image-centric, wherein the aim is to identify and label various regions such as authors and paragraphs, or text-centric, where the focus is on classifying individual words in a document. Although there are increasingly sophisticated methods for improving layout analysis, doubts remain about the extent to which their findings can be generalized to a broader context. Specifically, prior work developed systems based on very different architectures, such as transformer-based, graph-based, and CNNs. However, no work has mentioned the effectiveness of these models in a comparative analysis. Moreover, while language-independent Document AI models capable of knowledge transfer have been developed, it remains to be investigated to what degree they can effectively transfer knowledge. In this study, we aim to fill these gaps by conducting a comparative evaluation of state-of-the-art models in document layout analysis and investigating the potential of cross-lingual layout analysis by utilizing machine translation techniques.

Retrieval Augmented Generation (RAG) has greatly improved the performance of Large Language Model (LLM) responses by grounding generation with context from existing documents. These systems work well when documents are clearly relevant to a question context. But what about when a document has partial information, or less obvious connections to the context? And how should we reason about connections between documents? In this work, we seek to answer these two core questions about RAG generation. We introduce G-RAG, a reranker based on graph neural networks (GNNs) between the retriever and reader in RAG. Our method combines both connections between documents and semantic information (via Abstract Meaning Representation graphs) to provide a context-informed ranker for RAG. G-RAG outperforms state-of-the-art approaches while having smaller computational footprint. Additionally, we assess the performance of PaLM 2 as a reranker and find it to significantly underperform G-RAG. This result emphasizes the importance of reranking for RAG even when using Large Language Models.

Large language models (LLMs) are known to struggle with complicated reasoning tasks such as math word problems (MWPs). In this paper, we present how analogy from similarly structured questions can improve LLMs' problem-solving capabilities for MWPs. Specifically, we rely on the retrieval of problems with similar computational graphs to the given question to serve as exemplars in the prompt, providing the correct reasoning path for the generation model to refer to. Empirical results across six math word problem datasets demonstrate the effectiveness of our proposed method, which achieves a significant improvement of up to 6.7 percent on average in absolute value, compared to baseline methods. These results highlight our method's potential in addressing the reasoning challenges in current LLMs.

Repositories of large software systems have become commonplace. This massive expansion has resulted in the emergence of various problems in these software platforms including identification of (i) bug-prone packages, (ii) critical bugs, and (iii) severity of bugs. One of the important goals would be to mine these bugs and recommend them to the developers to resolve them. The first step to this is that one has to accurately detect the extent of severity of the bugs. In this paper, we take up this task of predicting the severity of bugs in the near future. Contextualized neural models built on the text description of a bug and the user comments about the bug help to achieve reasonably good performance. Further information on how the bugs are related to each other in terms of the ways they affect packages can be summarised in the form of a graph and used along with the text to get additional benefits.

Graph-based collaborative filtering methods have prevailing performance for recommender systems since they can capture high-order information between users and items, in which the graphs are constructed from the observed user-item interactions that might miss links or contain spurious positive interactions in industrial scenarios. The Bayesian Graph Neural Network framework approaches this issue with generative models for the interaction graphs. The critical problem is to devise a proper family of graph generative models tailored to recommender systems. We propose an efficient generative model that jointly considers the preferences of users, the concurrence of items and some important graph structure information. Experiments on four popular benchmark datasets demonstrate the effectiveness of our proposed graph generative methods for recommender systems.

Graph-based deep learning methods have become popular tools to process collections of correlated time series. Differently from traditional multivariate forecasting methods, neural graph-based predictors take advantage of pairwise relationships by conditioning forecasts on a (possibly dynamic) graph spanning the time series collection. The conditioning can take the form of an architectural inductive bias on the neural forecasting architecture, resulting in a family of deep learning models called spatiotemporal graph neural networks. Such relational inductive biases enable the training of global forecasting models on large time-series collections, while at the same time localizing predictions w.r.t. each element in the set (i.e., graph nodes) by accounting for local correlations among them (i.e., graph edges). Indeed, recent theoretical and practical advances in graph neural networks and deep learning for time series forecasting make the adoption of such processing frameworks appealing and timely. However, most of the studies in the literature focus on proposing variations of existing neural architectures by taking advantage of modern deep learning practices, while foundational and methodological aspects have not been subject to systematic investigation. To fill the gap, this paper aims to introduce a comprehensive methodological framework that formalizes the forecasting problem and provides design principles for graph-based predictive models and methods to assess their performance. At the same time, together with an overview of the field, we provide design guidelines, recommendations, and best practices, as well as an in-depth discussion of open challenges and future research directions.

To successfully negotiate a deal, it is not enough to communicate fluently: pragmatic planning of persuasive negotiation strategies is essential. While modern dialogue agents excel at generating fluent sentences, they still lack pragmatic grounding and cannot reason strategically. We present DialoGraph, a negotiation system that incorporates pragmatic strategies in a negotiation dialogue using graph neural networks. DialoGraph explicitly incorporates dependencies between sequences of strategies to enable improved and interpretable prediction of next optimal strategies, given the dialogue context. Our graph-based method outperforms prior state-of-the-art negotiation models both in the accuracy of strategy/dialogue act prediction and in the quality of downstream dialogue response generation. We qualitatively show further benefits of learned strategy-graphs in providing explicit associations between effective negotiation strategies over the course of the dialogue, leading to interpretable and strategic dialogues.

Recently, Retrieval-Augmented Generation (RAG) has achieved remarkable success in addressing the challenges of Large Language Models (LLMs) without necessitating retraining. By referencing an external knowledge base, RAG refines LLM outputs, effectively mitigating issues such as ``hallucination'', lack of domain-specific knowledge, and outdated information. However, the complex structure of relationships among different entities in databases presents challenges for RAG systems. In response, GraphRAG leverages structural information across entities to enable more precise and comprehensive retrieval, capturing relational knowledge and facilitating more accurate, context-aware responses. Given the novelty and potential of GraphRAG, a systematic review of current technologies is imperative. This paper provides the first comprehensive overview of GraphRAG methodologies. We formalize the GraphRAG workflow, encompassing Graph-Based Indexing, Graph-Guided Retrieval, and Graph-Enhanced Generation. We then outline the core technologies and training methods at each stage. Additionally, we examine downstream tasks, application domains, evaluation methodologies, and industrial use cases of GraphRAG. Finally, we explore future research directions to inspire further inquiries and advance progress in the field.

We introduce a novel graph-based Retrieval-Augmented Generation (RAG) framework specifically designed for the medical domain, called MedGraphRAG, aimed at enhancing Large Language Model (LLM) capabilities and generating evidence-based results, thereby improving safety and reliability when handling private medical data. Our comprehensive pipeline begins with a hybrid static-semantic approach to document chunking, significantly improving context capture over traditional methods. Extracted entities are used to create a three-tier hierarchical graph structure, linking entities to foundational medical knowledge sourced from medical papers and dictionaries. These entities are then interconnected to form meta-graphs, which are merged based on semantic similarities to develop a comprehensive global graph. This structure supports precise information retrieval and response generation. The retrieval process employs a U-retrieve method to balance global awareness and indexing efficiency of the LLM. Our approach is validated through a comprehensive ablation study comparing various methods for document chunking, graph construction, and information retrieval. The results not only demonstrate that our hierarchical graph construction method consistently outperforms state-of-the-art models on multiple medical Q\&A benchmarks, but also confirms that the responses generated include source documentation, significantly enhancing the reliability of medical LLMs in practical applications. Code will be at: https://github.com/MedicineToken/Medical-Graph-RAG/tree/main

The pursuit of automated scientific discovery has fueled progress from symbolic logic to modern AI, forging new frontiers in reasoning and pattern recognition. Transformers function as potential systems, where every possible relationship remains latent potentiality until tasks impose constraints, akin to measurement. Yet, refining their sampling requires more than probabilistic selection: solutions must conform to specific structures or rules, ensuring consistency and the invocation of general principles. We present Graph-PReFLexOR (Graph-based Preference-based Recursive Language Modeling for Exploratory Optimization of Reasoning), a framework that combines graph reasoning with symbolic abstraction to dynamically expand domain knowledge. Inspired by reinforcement learning, Graph-PReFLexOR defines reasoning as a structured mapping, where tasks yield knowledge graphs, abstract patterns, and ultimately, final answers. Inspired by category theory, it encodes concepts as nodes and their relationships as edges, supporting hierarchical inference and adaptive learning through isomorphic representations. Demonstrations include hypothesis generation, materials design, and creative reasoning, such as discovering relationships between mythological concepts like 'thin places' with materials science. We propose a 'knowledge garden growth' strategy that integrates insights across domains, promoting interdisciplinary connections. Results with a 3-billion-parameter Graph-PReFLexOR model show superior reasoning depth and adaptability, underscoring the potential for transparent, multidisciplinary AI-driven discovery. It lays the groundwork for general autonomous reasoning solutions.

Molecular "fingerprints" encoding structural information are the workhorse of cheminformatics and machine learning in drug discovery applications. However, fingerprint representations necessarily emphasize particular aspects of the molecular structure while ignoring others, rather than allowing the model to make data-driven decisions. We describe molecular "graph convolutions", a machine learning architecture for learning from undirected graphs, specifically small molecules. Graph convolutions use a simple encoding of the molecular graph---atoms, bonds, distances, etc.---which allows the model to take greater advantage of information in the graph structure. Although graph convolutions do not outperform all fingerprint-based methods, they (along with other graph-based methods) represent a new paradigm in ligand-based virtual screening with exciting opportunities for future improvement.

Partial Differential Equations (PDEs) underpin many scientific phenomena, yet traditional computational approaches often struggle with complex, nonlinear systems and irregular geometries. This paper introduces the AMG method, a Multi-Graph neural operator approach designed for efficiently solving PDEs on Arbitrary geometries. AMG leverages advanced graph-based techniques and dynamic attention mechanisms within a novel GraphFormer architecture, enabling precise management of diverse spatial domains and complex data interdependencies. By constructing multi-scale graphs to handle variable feature frequencies and a physics graph to encapsulate inherent physical properties, AMG significantly outperforms previous methods, which are typically limited to uniform grids. We present a comprehensive evaluation of AMG across six benchmarks, demonstrating its consistent superiority over existing state-of-the-art models. Our findings highlight the transformative potential of tailored graph neural operators in surmounting the challenges faced by conventional PDE solvers. Our code and datasets are available on https://github.com/lizhihao2022/AMG.

Triggered by limitations of graph-based deep learning methods in terms of computational expressivity and model flexibility, recent years have seen a surge of interest in computational models that operate on higher-order topological domains such as hypergraphs and simplicial complexes. While the increased expressivity of these models can indeed lead to a better classification performance and a more faithful representation of the underlying system, the computational cost of these higher-order models can increase dramatically. To this end, we here explore a simplicial complex neural network learning architecture based on random walks and fast 1D convolutions (SCRaWl), in which we can adjust the increase in computational cost by varying the length and number of random walks considered while accounting for higher-order relationships. Importantly, due to the random walk-based design, the expressivity of the proposed architecture is provably incomparable to that of existing message-passing simplicial neural networks. We empirically evaluate SCRaWl on real-world datasets and show that it outperforms other simplicial neural networks.

Graph neural network (GNN) is a powerful learning approach for graph-based recommender systems. Recently, GNNs integrated with contrastive learning have shown superior performance in recommendation with their data augmentation schemes, aiming at dealing with highly sparse data. Despite their success, most existing graph contrastive learning methods either perform stochastic augmentation (e.g., node/edge perturbation) on the user-item interaction graph, or rely on the heuristic-based augmentation techniques (e.g., user clustering) for generating contrastive views. We argue that these methods cannot well preserve the intrinsic semantic structures and are easily biased by the noise perturbation. In this paper, we propose a simple yet effective graph contrastive learning paradigm LightGCL that mitigates these issues impairing the generality and robustness of CL-based recommenders. Our model exclusively utilizes singular value decomposition for contrastive augmentation, which enables the unconstrained structural refinement with global collaborative relation modeling. Experiments conducted on several benchmark datasets demonstrate the significant improvement in performance of our model over the state-of-the-arts. Further analyses demonstrate the superiority of LightGCL's robustness against data sparsity and popularity bias. The source code of our model is available at https://github.com/HKUDS/LightGCL.

Graph Neural Networks (GNNs) have achieved remarkable performance on graph-based tasks. The key idea for GNNs is to obtain informative representation through aggregating information from local neighborhoods. However, it remains an open question whether the neighborhood information is adequately aggregated for learning representations of nodes with few neighbors. To address this, we propose a simple and efficient data augmentation strategy, local augmentation, to learn the distribution of the node features of the neighbors conditioned on the central node's feature and enhance GNN's expressive power with generated features. Local augmentation is a general framework that can be applied to any GNN model in a plug-and-play manner. It samples feature vectors associated with each node from the learned conditional distribution as additional input for the backbone model at each training iteration. Extensive experiments and analyses show that local augmentation consistently yields performance improvement when applied to various GNN architectures across a diverse set of benchmarks. For example, experiments show that plugging in local augmentation to GCN and GAT improves by an average of 3.4\% and 1.6\% in terms of test accuracy on Cora, Citeseer, and Pubmed. Besides, our experimental results on large graphs (OGB) show that our model consistently improves performance over backbones. Code is available at https://github.com/SongtaoLiu0823/LAGNN.

Graph Convolutional Networks (GCNs) are increasingly adopted in large-scale graph-based recommender systems. Training GCN requires the minibatch generator traversing graphs and sampling the sparsely located neighboring nodes to obtain their features. Since real-world graphs often exceed the capacity of GPU memory, current GCN training systems keep the feature table in host memory and rely on the CPU to collect sparse features before sending them to the GPUs. This approach, however, puts tremendous pressure on host memory bandwidth and the CPU. This is because the CPU needs to (1) read sparse features from memory, (2) write features into memory as a dense format, and (3) transfer the features from memory to the GPUs. In this work, we propose a novel GPU-oriented data communication approach for GCN training, where GPU threads directly access sparse features in host memory through zero-copy accesses without much CPU help. By removing the CPU gathering stage, our method significantly reduces the consumption of the host resources and data access latency. We further present two important techniques to achieve high host memory access efficiency by the GPU: (1) automatic data access address alignment to maximize PCIe packet efficiency, and (2) asynchronous zero-copy access and kernel execution to fully overlap data transfer with training. We incorporate our method into PyTorch and evaluate its effectiveness using several graphs with sizes up to 111 million nodes and 1.6 billion edges. In a multi-GPU training setup, our method is 65-92% faster than the conventional data transfer method, and can even match the performance of all-in-GPU-memory training for some graphs that fit in GPU memory.

Large language models (LLMs) have demonstrated remarkable capabilities in a wide range of tasks, yet their application to specialized domains remains challenging due to the need for deep expertise. Retrieval-augmented generation (RAG) has emerged as a promising solution to customize LLMs for professional fields by seamlessly integrating external knowledge bases, enabling real-time access to domain-specific expertise during inference. Despite its potential, traditional RAG systems, based on flat text retrieval, face three critical challenges: (i) complex query understanding in professional contexts, (ii) difficulties in knowledge integration across distributed sources, and (iii) system efficiency bottlenecks at scale. This survey presents a systematic analysis of Graph-based Retrieval-Augmented Generation (GraphRAG), a new paradigm that revolutionizes domain-specific LLM applications. GraphRAG addresses traditional RAG limitations through three key innovations: (i) graph-structured knowledge representation that explicitly captures entity relationships and domain hierarchies, (ii) efficient graph-based retrieval techniques that enable context-preserving knowledge retrieval with multihop reasoning ability, and (iii) structure-aware knowledge integration algorithms that leverage retrieved knowledge for accurate and logical coherent generation of LLMs. In this survey, we systematically analyze the technical foundations of GraphRAG and examine current implementations across various professional domains, identifying key technical challenges and promising research directions. All the related resources of GraphRAG, including research papers, open-source data, and projects, are collected for the community in blue{https://github.com/DEEP-PolyU/Awesome-GraphRAG}.

Deep recommender systems rely heavily on large embedding tables to handle high-cardinality categorical features such as user/item identifiers, and face significant memory constraints at scale. To tackle this challenge, hashing techniques are often employed to map multiple entities to the same embedding and thus reduce the size of the embedding tables. Concurrently, graph-based collaborative signals have emerged as powerful tools in recommender systems, yet their potential for optimizing embedding table reduction remains unexplored. This paper introduces GraphHash, the first graph-based approach that leverages modularity-based bipartite graph clustering on user-item interaction graphs to reduce embedding table sizes. We demonstrate that the modularity objective has a theoretical connection to message-passing, which provides a foundation for our method. By employing fast clustering algorithms, GraphHash serves as a computationally efficient proxy for message-passing during preprocessing and a plug-and-play graph-based alternative to traditional ID hashing. Extensive experiments show that GraphHash substantially outperforms diverse hashing baselines on both retrieval and click-through-rate prediction tasks. In particular, GraphHash achieves on average a 101.52% improvement in recall when reducing the embedding table size by more than 75%, highlighting the value of graph-based collaborative information for model reduction. Our code is available at https://github.com/snap-research/GraphHash.

Dynamical systems with complex behaviours, e.g. immune system cells interacting with a pathogen, are commonly modelled by splitting the behaviour into different regimes, or modes, each with simpler dynamics, and then learning the switching behaviour from one mode to another. Switching Dynamical Systems (SDS) are a powerful tool that automatically discovers these modes and mode-switching behaviour from time series data. While effective, these methods focus on independent objects, where the modes of one object are independent of the modes of the other objects. In this paper, we focus on the more general interacting object setting for switching dynamical systems, where the per-object dynamics also depends on an unknown and dynamically changing subset of other objects and their modes. To this end, we propose a novel graph-based approach for switching dynamical systems, GRAph Switching dynamical Systems (GRASS), in which we use a dynamic graph to characterize interactions between objects and learn both intra-object and inter-object mode-switching behaviour. We introduce two new datasets for this setting, a synthesized ODE-driven particles dataset and a real-world Salsa Couple Dancing dataset. Experiments show that GRASS can consistently outperforms previous state-of-the-art methods.

For supervised learning with tabular data, decision tree ensembles produced via boosting techniques generally dominate real-world applications involving iid training/test sets. However for graph data where the iid assumption is violated due to structured relations between samples, it remains unclear how to best incorporate this structure within existing boosting pipelines. To this end, we propose a generalized framework for iterating boosting with graph propagation steps that share node/sample information across edges connecting related samples. Unlike previous efforts to integrate graph-based models with boosting, our approach is anchored in a principled meta loss function such that provable convergence can be guaranteed under relatively mild assumptions. Across a variety of non-iid graph datasets with tabular node features, our method achieves comparable or superior performance than both tabular and graph neural network models, as well as existing hybrid strategies that combine the two. Beyond producing better predictive performance than recently proposed graph models, our proposed techniques are easy to implement, computationally more efficient, and enjoy stronger theoretical guarantees (which make our results more reproducible).

Graph neural networks (GNNs) have shown great prowess in learning representations suitable for numerous graph-based machine learning tasks. When applied to semi-supervised node classification, GNNs are widely believed to work well due to the homophily assumption ("like attracts like"), and fail to generalize to heterophilous graphs where dissimilar nodes connect. Recent works design new architectures to overcome such heterophily-related limitations, citing poor baseline performance and new architecture improvements on a few heterophilous graph benchmark datasets as evidence for this notion. In our experiments, we empirically find that standard graph convolutional networks (GCNs) can actually achieve better performance than such carefully designed methods on some commonly used heterophilous graphs. This motivates us to reconsider whether homophily is truly necessary for good GNN performance. We find that this claim is not quite true, and in fact, GCNs can achieve strong performance on heterophilous graphs under certain conditions. Our work carefully characterizes these conditions, and provides supporting theoretical understanding and empirical observations. Finally, we examine existing heterophilous graphs benchmarks and reconcile how the GCN (under)performs on them based on this understanding.

Accurately simulating real world object dynamics is essential for various applications such as robotics, engineering, graphics, and design. To better capture complex real dynamics such as contact and friction, learned simulators based on graph networks have recently shown great promise. However, applying these learned simulators to real scenes comes with two major challenges: first, scaling learned simulators to handle the complexity of real world scenes which can involve hundreds of objects each with complicated 3D shapes, and second, handling inputs from perception rather than 3D state information. Here we introduce a method which substantially reduces the memory required to run graph-based learned simulators. Based on this memory-efficient simulation model, we then present a perceptual interface in the form of editable NeRFs which can convert real-world scenes into a structured representation that can be processed by graph network simulator. We show that our method uses substantially less memory than previous graph-based simulators while retaining their accuracy, and that the simulators learned in synthetic environments can be applied to real world scenes captured from multiple camera angles. This paves the way for expanding the application of learned simulators to settings where only perceptual information is available at inference time.

Controllable 3D scene generation has extensive applications in virtual reality and interior design, where the generated scenes should exhibit high levels of realism and controllability in terms of geometry. Scene graphs provide a suitable data representation that facilitates these applications. However, current graph-based methods for scene generation are constrained to text-based inputs and exhibit insufficient adaptability to flexible user inputs, hindering the ability to precisely control object geometry. To address this issue, we propose MMGDreamer, a dual-branch diffusion model for scene generation that incorporates a novel Mixed-Modality Graph, visual enhancement module, and relation predictor. The mixed-modality graph allows object nodes to integrate textual and visual modalities, with optional relationships between nodes. It enhances adaptability to flexible user inputs and enables meticulous control over the geometry of objects in the generated scenes. The visual enhancement module enriches the visual fidelity of text-only nodes by constructing visual representations using text embeddings. Furthermore, our relation predictor leverages node representations to infer absent relationships between nodes, resulting in more coherent scene layouts. Extensive experimental results demonstrate that MMGDreamer exhibits superior control of object geometry, achieving state-of-the-art scene generation performance. Project page: https://yangzhifeio.github.io/project/MMGDreamer.

Image classification is a computer vision task where a model analyzes an image to categorize it into a specific label. Vision Transformers (ViT) improve this task by leveraging self-attention to capture complex patterns and long range relationships between image patches. However, a key challenge for ViTs is efficiently incorporating multiscale feature representations, which is inherent in CNNs through their hierarchical structure. In this paper, we introduce the Scale-Aware Graph Attention Vision Transformer (SAG-ViT), a novel framework that addresses this challenge by integrating multi-scale features. Using EfficientNet as a backbone, the model extracts multi-scale feature maps, which are divided into patches to preserve semantic information. These patches are organized into a graph based on spatial and feature similarities, with a Graph Attention Network (GAT) refining the node embeddings. Finally, a Transformer encoder captures long-range dependencies and complex interactions. The SAG-ViT is evaluated on benchmark datasets, demonstrating its effectiveness in enhancing image classification performance.

In this paper, we propose a learning-based image fragment pair-searching and -matching approach to solve the challenging restoration problem. Existing works use rule-based methods to match similar contour shapes or textures, which are always difficult to tune hyperparameters for extensive data and computationally time-consuming. Therefore, we propose a neural network that can effectively utilize neighbor textures with contour shape information to fundamentally improve performance. First, we employ a graph-based network to extract the local contour and texture features of fragments. Then, for the pair-searching task, we adopt a linear transformer-based module to integrate these local features and use contrastive loss to encode the global features of each fragment. For the pair-matching task, we design a weighted fusion module to dynamically fuse extracted local contour and texture features, and formulate a similarity matrix for each pair of fragments to calculate the matching score and infer the adjacent segment of contours. To faithfully evaluate our proposed network, we created a new image fragment dataset through an algorithm we designed that tears complete images into irregular fragments. The experimental results show that our proposed network achieves excellent pair-searching accuracy, reduces matching errors, and significantly reduces computational time. Details, sourcecode, and data are available in our supplementary material.

Accurately predicting road networks from satellite images requires a global understanding of the network topology. We propose to capture such high-level information by introducing a graph-based framework that simulates the addition of sequences of graph edges using a reinforcement learning (RL) approach. In particular, given a partially generated graph associated with a satellite image, an RL agent nominates modifications that maximize a cumulative reward. As opposed to standard supervised techniques that tend to be more restricted to commonly used surrogate losses, these rewards can be based on various complex, potentially non-continuous, metrics of interest. This yields more power and flexibility to encode problem-dependent knowledge. Empirical results on several benchmark datasets demonstrate enhanced performance and increased high-level reasoning about the graph topology when using a tree-based search. We further highlight the superiority of our approach under substantial occlusions by introducing a new synthetic benchmark dataset for this task.

The use of retrieval-augmented generation (RAG) to retrieve relevant information from an external knowledge source enables large language models (LLMs) to answer questions over private and/or previously unseen document collections. However, RAG fails on global questions directed at an entire text corpus, such as "What are the main themes in the dataset?", since this is inherently a query-focused summarization (QFS) task, rather than an explicit retrieval task. Prior QFS methods, meanwhile, fail to scale to the quantities of text indexed by typical RAG systems. To combine the strengths of these contrasting methods, we propose a Graph RAG approach to question answering over private text corpora that scales with both the generality of user questions and the quantity of source text to be indexed. Our approach uses an LLM to build a graph-based text index in two stages: first to derive an entity knowledge graph from the source documents, then to pregenerate community summaries for all groups of closely-related entities. Given a question, each community summary is used to generate a partial response, before all partial responses are again summarized in a final response to the user. For a class of global sensemaking questions over datasets in the 1 million token range, we show that Graph RAG leads to substantial improvements over a na\"ive RAG baseline for both the comprehensiveness and diversity of generated answers. An open-source, Python-based implementation of both global and local Graph RAG approaches is forthcoming at https://aka.ms/graphrag.

Multi-Camera Multi-Object Tracking (MC-MOT) utilizes information from multiple views to better handle problems with occlusion and crowded scenes. Recently, the use of graph-based approaches to solve tracking problems has become very popular. However, many current graph-based methods do not effectively utilize information regarding spatial and temporal consistency. Instead, they rely on single-camera trackers as input, which are prone to fragmentation and ID switch errors. In this paper, we propose a novel reconfigurable graph model that first associates all detected objects across cameras spatially before reconfiguring it into a temporal graph for Temporal Association. This two-stage association approach enables us to extract robust spatial and temporal-aware features and address the problem with fragmented tracklets. Furthermore, our model is designed for online tracking, making it suitable for real-world applications. Experimental results show that the proposed graph model is able to extract more discriminating features for object tracking, and our model achieves state-of-the-art performance on several public datasets.

Multi-agent collaborative perception (MCP) has recently attracted much attention. It includes three key processes: communication for sharing, collaboration for integration, and reconstruction for different downstream tasks. Existing methods pursue designing the collaboration process alone, ignoring their intrinsic interactions and resulting in suboptimal performance. In contrast, we aim to propose a Unified Collaborative perception framework named UMC, optimizing the communication, collaboration, and reconstruction processes with the Multi-resolution technique. The communication introduces a novel trainable multi-resolution and selective-region (MRSR) mechanism, achieving higher quality and lower bandwidth. Then, a graph-based collaboration is proposed, conducting on each resolution to adapt the MRSR. Finally, the reconstruction integrates the multi-resolution collaborative features for downstream tasks. Since the general metric can not reflect the performance enhancement brought by MCP systematically, we introduce a brand-new evaluation metric that evaluates the MCP from different perspectives. To verify our algorithm, we conducted experiments on the V2X-Sim and OPV2V datasets. Our quantitative and qualitative experiments prove that the proposed UMC greatly outperforms the state-of-the-art collaborative perception approaches.

Graph Neural Networks (GNNs) have shown success in learning from graph-structured data, with applications to fraud detection, recommendation, and knowledge graph reasoning. However, training GNN efficiently is challenging because: 1) GPU memory capacity is limited and can be insufficient for large datasets, and 2) the graph-based data structure causes irregular data access patterns. In this work, we provide a method to statistical analyze and identify more frequently accessed data ahead of GNN training. Our data tiering method not only utilizes the structure of input graph, but also an insight gained from actual GNN training process to achieve a higher prediction result. With our data tiering method, we additionally provide a new data placement and access strategy to further minimize the CPU-GPU communication overhead. We also take into account of multi-GPU GNN training as well and we demonstrate the effectiveness of our strategy in a multi-GPU system. The evaluation results show that our work reduces CPU-GPU traffic by 87-95% and improves the training speed of GNN over the existing solutions by 1.6-2.1x on graphs with hundreds of millions of nodes and billions of edges.

The success of deep neural networks (DNNs) is heavily dependent on the availability of labeled data. However, obtaining labeled data is a big challenge in many real-world problems. In such scenarios, a DNN model can leverage labeled and unlabeled data from a related domain, but it has to deal with the shift in data distributions between the source and the target domains. In this paper, we study the problem of classifying social media posts during a crisis event (e.g., Earthquake). For that, we use labeled and unlabeled data from past similar events (e.g., Flood) and unlabeled data for the current event. We propose a novel model that performs adversarial learning based domain adaptation to deal with distribution drifts and graph based semi-supervised learning to leverage unlabeled data within a single unified deep learning framework. Our experiments with two real-world crisis datasets collected from Twitter demonstrate significant improvements over several baselines.

Language Models (LMs) have demonstrated impressive molecule understanding ability on various 1D text-related tasks. However, they inherently lack 2D graph perception - a critical ability of human professionals in comprehending molecules' topological structures. To bridge this gap, we propose MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter. MolCA enables an LM (e.g., Galactica) to understand both text- and graph-based molecular contents via the cross-modal projector. Specifically, the cross-modal projector is implemented as a Q-Former to connect a graph encoder's representation space and an LM's text space. Further, MolCA employs a uni-modal adapter (i.e., LoRA) for the LM's efficient adaptation to downstream tasks. Unlike previous studies that couple an LM with a graph encoder via cross-modal contrastive learning, MolCA retains the LM's ability of open-ended text generation and augments it with 2D graph information. To showcase its effectiveness, we extensively benchmark MolCA on tasks of molecule captioning, IUPAC name prediction, and molecule-text retrieval, on which MolCA significantly outperforms the baselines. Our codes and checkpoints can be found at https://github.com/acharkq/MolCA.

Large Language Models (LLMs) have demonstrated impressive reasoning capabilities, yet their performance is highly dependent on the prompting strategy and model scale. While reinforcement learning and fine-tuning have been deployed to boost reasoning, these approaches incur substantial computational and data overhead. In this work, we introduce Adaptive Graph of Thoughts (AGoT), a dynamic, graph-based inference framework that enhances LLM reasoning solely at test time. Rather than relying on fixed-step methods like Chain of Thought (CoT) or Tree of Thoughts (ToT), AGoT recursively decomposes complex queries into structured subproblems, forming an dynamic directed acyclic graph (DAG) of interdependent reasoning steps. By selectively expanding only those subproblems that require further analysis, AGoT unifies the strengths of chain, tree, and graph paradigms into a cohesive framework that allocates computation where it is most needed. We validate our approach on diverse benchmarks spanning multi-hop retrieval, scientific reasoning, and mathematical problem-solving, achieving up to 46.2% improvement on scientific reasoning tasks (GPQA) - comparable to gains achieved through computationally intensive reinforcement learning approaches and outperforming state-of-the-art iterative approaches. These results suggest that dynamic decomposition and structured recursion offer a scalable, cost-effective alternative to post-training modifications, paving the way for more robust, general-purpose reasoning in LLMs.

While Retrieval-Augmented Generation (RAG) enhances the accuracy and relevance of responses by generative language models, it falls short in graph-based contexts where both textual and topological information are important. Naive RAG approaches inherently neglect the structural intricacies of textual graphs, resulting in a critical gap in the generation process. To address this challenge, we introduce Graph Retrieval-Augmented Generation (GRAG), which significantly enhances both the retrieval and generation processes by emphasizing the importance of subgraph structures. Unlike RAG approaches that focus solely on text-based entity retrieval, GRAG maintains an acute awareness of graph topology, which is crucial for generating contextually and factually coherent responses. Our GRAG approach consists of four main stages: indexing of k-hop ego-graphs, graph retrieval, soft pruning to mitigate the impact of irrelevant entities, and generation with pruned textual subgraphs. GRAG's core workflow-retrieving textual subgraphs followed by soft pruning-efficiently identifies relevant subgraph structures while avoiding the computational infeasibility typical of exhaustive subgraph searches, which are NP-hard. Moreover, we propose a novel prompting strategy that achieves lossless conversion from textual subgraphs to hierarchical text descriptions. Extensive experiments on graph multi-hop reasoning benchmarks demonstrate that in scenarios requiring multi-hop reasoning on textual graphs, our GRAG approach significantly outperforms current state-of-the-art RAG methods while effectively mitigating hallucinations.

Knowledge graphs (KGs) generated by large language models (LLMs) are becoming increasingly valuable for Retrieval-Augmented Generation (RAG) applications that require knowledge-intensive reasoning. However, existing KG extraction methods predominantly rely on prompt-based approaches, which are inefficient for processing large-scale corpora. These approaches often suffer from information loss, particularly with long documents, due to the lack of specialized design for KG construction. Additionally, there is a gap in evaluation datasets and methodologies for ontology-free KG construction. To overcome these limitations, we propose SynthKG, a multi-step, document-level ontology-free KG synthesis workflow based on LLMs. By fine-tuning a smaller LLM on the synthesized document-KG pairs, we streamline the multi-step process into a single-step KG generation approach called Distill-SynthKG, substantially reducing the number of LLM inference calls. Furthermore, we re-purpose existing question-answering datasets to establish KG evaluation datasets and introduce new evaluation metrics. Using KGs produced by Distill-SynthKG, we also design a novel graph-based retrieval framework for RAG. Experimental results demonstrate that Distill-SynthKG not only surpasses all baseline models in KG quality -- including models up to eight times larger -- but also consistently excels in retrieval and question-answering tasks. Our proposed graph retrieval framework also outperforms all KG-retrieval methods across multiple benchmark datasets. We release the SynthKG dataset and Distill-SynthKG model publicly to support further research and development.

Retrieving external knowledge and prompting large language models with relevant information is an effective paradigm to enhance the performance of question-answering tasks. Previous research typically handles paragraphs from external documents in isolation, resulting in a lack of context and ambiguous references, particularly in multi-document and complex tasks. To overcome these challenges, we propose a new retrieval framework IIER, that leverages Inter-chunk Interactions to Enhance Retrieval. This framework captures the internal connections between document chunks by considering three types of interactions: structural, keyword, and semantic. We then construct a unified Chunk-Interaction Graph to represent all external documents comprehensively. Additionally, we design a graph-based evidence chain retriever that utilizes previous paths and chunk interactions to guide the retrieval process. It identifies multiple seed nodes based on the target question and iteratively searches for relevant chunks to gather supporting evidence. This retrieval process refines the context and reasoning chain, aiding the large language model in reasoning and answer generation. Extensive experiments demonstrate that IIER outperforms strong baselines across four datasets, highlighting its effectiveness in improving retrieval and reasoning capabilities.

Knowledge Graphs (KGs) have proven essential in information processing and reasoning applications because they link related entities and give context-rich information, supporting efficient information retrieval and knowledge discovery; presenting information flow in a very effective manner. Despite being widely used globally, Bangla is relatively underrepresented in KGs due to a lack of comprehensive datasets, encoders, NER (named entity recognition) models, POS (part-of-speech) taggers, and lemmatizers, hindering efficient information processing and reasoning applications in the language. Addressing the KG scarcity in Bengali, we propose BanglaAutoKG, a pioneering framework that is able to automatically construct Bengali KGs from any Bangla text. We utilize multilingual LLMs to understand various languages and correlate entities and relations universally. By employing a translation dictionary to identify English equivalents and extracting word features from pre-trained BERT models, we construct the foundational KG. To reduce noise and align word embeddings with our goal, we employ graph-based polynomial filters. Lastly, we implement a GNN-based semantic filter, which elevates contextual understanding and trims unnecessary edges, culminating in the formation of the definitive KG. Empirical findings and case studies demonstrate the universal effectiveness of our model, capable of autonomously constructing semantically enriched KGs from any text.

Large Language Models (LLMs) are being adopted at an unprecedented rate, yet still face challenges in knowledge-intensive domains like biomedicine. Solutions such as pre-training and domain-specific fine-tuning add substantial computational overhead, requiring further domain expertise. Here, we introduce a token-optimized and robust Knowledge Graph-based Retrieval Augmented Generation (KG-RAG) framework by leveraging a massive biomedical KG (SPOKE) with LLMs such as Llama-2-13b, GPT-3.5-Turbo and GPT-4, to generate meaningful biomedical text rooted in established knowledge. Compared to the existing RAG technique for Knowledge Graphs, the proposed method utilizes minimal graph schema for context extraction and uses embedding methods for context pruning. This optimization in context extraction results in more than 50% reduction in token consumption without compromising the accuracy, making a cost-effective and robust RAG implementation on proprietary LLMs. KG-RAG consistently enhanced the performance of LLMs across diverse biomedical prompts by generating responses rooted in established knowledge, accompanied by accurate provenance and statistical evidence (if available) to substantiate the claims. Further benchmarking on human curated datasets, such as biomedical true/false and multiple-choice questions (MCQ), showed a remarkable 71% boost in the performance of the Llama-2 model on the challenging MCQ dataset, demonstrating the framework's capacity to empower open-source models with fewer parameters for domain specific questions. Furthermore, KG-RAG enhanced the performance of proprietary GPT models, such as GPT-3.5 and GPT-4. In summary, the proposed framework combines explicit and implicit knowledge of KG and LLM in a token optimized fashion, thus enhancing the adaptability of general-purpose LLMs to tackle domain-specific questions in a cost-effective fashion.

Molecular relational learning, whose goal is to learn the interaction behavior between molecular pairs, got a surge of interest in molecular sciences due to its wide range of applications. Recently, graph neural networks have recently shown great success in molecular relational learning by modeling a molecule as a graph structure, and considering atom-level interactions between two molecules. Despite their success, existing molecular relational learning methods tend to overlook the nature of chemistry, i.e., a chemical compound is composed of multiple substructures such as functional groups that cause distinctive chemical reactions. In this work, we propose a novel relational learning framework, called CGIB, that predicts the interaction behavior between a pair of graphs by detecting core subgraphs therein. The main idea is, given a pair of graphs, to find a subgraph from a graph that contains the minimal sufficient information regarding the task at hand conditioned on the paired graph based on the principle of conditional graph information bottleneck. We argue that our proposed method mimics the nature of chemical reactions, i.e., the core substructure of a molecule varies depending on which other molecule it interacts with. Extensive experiments on various tasks with real-world datasets demonstrate the superiority of CGIB over state-of-the-art baselines. Our code is available at https://github.com/Namkyeong/CGIB.

Contrastive pretraining techniques for text classification has been largely studied in an unsupervised setting. However, oftentimes labeled data from related tasks which share label semantics with current task is available. We hypothesize that using this labeled data effectively can lead to better generalization on current task. In this paper, we propose a novel way to effectively utilize labeled data from related tasks with a graph based supervised contrastive learning approach. We formulate a token-graph by extrapolating the supervised information from examples to tokens. Our formulation results in an embedding space where tokens with high/low probability of belonging to same class are near/further-away from one another. We also develop detailed theoretical insights which serve as a motivation for our method. In our experiments with 13 datasets, we show our method outperforms pretraining schemes by 2.5% and also example-level contrastive learning based formulation by 1.8% on average. In addition, we show cross-domain effectiveness of our method in a zero-shot setting by 3.91% on average. Lastly, we also demonstrate our method can be used as a noisy teacher in a knowledge distillation setting to significantly improve performance of transformer based models in low labeled data regime by 4.57% on average.

Large language models (LLMs) are increasingly adopted for a variety of tasks with implicit graphical structures, such as planning in robotics, multi-hop question answering or knowledge probing, structured commonsense reasoning, and more. While LLMs have advanced the state-of-the-art on these tasks with structure implications, whether LLMs could explicitly process textual descriptions of graphs and structures, map them to grounded conceptual spaces, and perform structured operations remains underexplored. To this end, we propose NLGraph (Natural Language Graph), a comprehensive benchmark of graph-based problem solving designed in natural language. NLGraph contains 29,370 problems, covering eight graph reasoning tasks with varying complexity from simple tasks such as connectivity and shortest path up to complex problems such as maximum flow and simulating graph neural networks. We evaluate LLMs (GPT-3/4) with various prompting approaches on the NLGraph benchmark and find that 1) language models do demonstrate preliminary graph reasoning abilities, 2) the benefit of advanced prompting and in-context learning diminishes on more complex graph problems, while 3) LLMs are also (un)surprisingly brittle in the face of spurious correlations in graph and problem settings. We then propose Build-a-Graph Prompting and Algorithmic Prompting, two instruction-based approaches to enhance LLMs in solving natural language graph problems. Build-a-Graph and Algorithmic prompting improve the performance of LLMs on NLGraph by 3.07% to 16.85% across multiple tasks and settings, while how to solve the most complicated graph reasoning tasks in our setup with language models remains an open research question. The NLGraph benchmark and evaluation code are available at https://github.com/Arthur-Heng/NLGraph.

Knowledge graph (KG) link prediction aims to infer new facts based on existing facts in the KG. Recent studies have shown that using the graph neighborhood of a node via graph neural networks (GNNs) provides more useful information compared to just using the query information. Conventional GNNs for KG link prediction follow the standard message-passing paradigm on the entire KG, which leads to superfluous computation, over-smoothing of node representations, and also limits their expressive power. On a large scale, it becomes computationally expensive to aggregate useful information from the entire KG for inference. To address the limitations of existing KG link prediction frameworks, we propose a novel retrieve-and-read framework, which first retrieves a relevant subgraph context for the query and then jointly reasons over the context and the query with a high-capacity reader. As part of our exemplar instantiation for the new framework, we propose a novel Transformer-based GNN as the reader, which incorporates graph-based attention structure and cross-attention between query and context for deep fusion. This simple yet effective design enables the model to focus on salient context information relevant to the query. Empirical results on two standard KG link prediction datasets demonstrate the competitive performance of the proposed method. Furthermore, our analysis yields valuable insights for designing improved retrievers within the framework.

Heterophilic Graph Neural Networks (HGNNs) have shown promising results for semi-supervised learning tasks on graphs. Notably, most real-world heterophilic graphs are composed of a mixture of nodes with different neighbor patterns, exhibiting local node-level homophilic and heterophilic structures. However, existing works are only devoted to designing better HGNN backbones or architectures for node classification tasks on heterophilic and homophilic graph benchmarks simultaneously, and their analyses of HGNN performance with respect to nodes are only based on the determined data distribution without exploring the effect caused by this structural difference between training and testing nodes. How to learn invariant node representations on heterophilic graphs to handle this structure difference or distribution shifts remains unexplored. In this paper, we first discuss the limitations of previous graph-based invariant learning methods from the perspective of data augmentation. Then, we propose HEI, a framework capable of generating invariant node representations through incorporating heterophily information to infer latent environments without augmentation, which are then used for invariant prediction, under heterophilic graph structure distribution shifts. We theoretically show that our proposed method can achieve guaranteed performance under heterophilic graph structure distribution shifts. Extensive experiments on various benchmarks and backbones can also demonstrate the effectiveness of our method compared with existing state-of-the-art baselines.

Fairness-aware graph neural networks (GNNs) have gained a surge of attention as they can reduce the bias of predictions on any demographic group (e.g., female) in graph-based applications. Although these methods greatly improve the algorithmic fairness of GNNs, the fairness can be easily corrupted by carefully designed adversarial attacks. In this paper, we investigate the problem of adversarial attacks on fairness of GNNs and propose G-FairAttack, a general framework for attacking various types of fairness-aware GNNs in terms of fairness with an unnoticeable effect on prediction utility. In addition, we propose a fast computation technique to reduce the time complexity of G-FairAttack. The experimental study demonstrates that G-FairAttack successfully corrupts the fairness of different types of GNNs while keeping the attack unnoticeable. Our study on fairness attacks sheds light on potential vulnerabilities in fairness-aware GNNs and guides further research on the robustness of GNNs in terms of fairness.

Document layout analysis is a known problem to the documents research community and has been vastly explored yielding a multitude of solutions ranging from text mining, and recognition to graph-based representation, visual feature extraction, etc. However, most of the existing works have ignored the crucial fact regarding the scarcity of labeled data. With growing internet connectivity to personal life, an enormous amount of documents had been available in the public domain and thus making data annotation a tedious task. We address this challenge using self-supervision and unlike, the few existing self-supervised document segmentation approaches which use text mining and textual labels, we use a complete vision-based approach in pre-training without any ground-truth label or its derivative. Instead, we generate pseudo-layouts from the document images to pre-train an image encoder to learn the document object representation and localization in a self-supervised framework before fine-tuning it with an object detection model. We show that our pipeline sets a new benchmark in this context and performs at par with the existing methods and the supervised counterparts, if not outperforms. The code is made publicly available at: https://github.com/MaitySubhajit/SelfDocSeg

In this paper, we propose Multiresolution Equivariant Graph Variational Autoencoders (MGVAE), the first hierarchical generative model to learn and generate graphs in a multiresolution and equivariant manner. At each resolution level, MGVAE employs higher order message passing to encode the graph while learning to partition it into mutually exclusive clusters and coarsening into a lower resolution that eventually creates a hierarchy of latent distributions. MGVAE then constructs a hierarchical generative model to variationally decode into a hierarchy of coarsened graphs. Importantly, our proposed framework is end-to-end permutation equivariant with respect to node ordering. MGVAE achieves competitive results with several generative tasks including general graph generation, molecular generation, unsupervised molecular representation learning to predict molecular properties, link prediction on citation graphs, and graph-based image generation.

Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating both graph structure and feature information leads to complex models, and explaining predictions made by GNNs remains unsolved. Here we propose GNNExplainer, the first general, model-agnostic approach for providing interpretable explanations for predictions of any GNN-based model on any graph-based machine learning task. Given an instance, GNNExplainer identifies a compact subgraph structure and a small subset of node features that have a crucial role in GNN's prediction. Further, GNNExplainer can generate consistent and concise explanations for an entire class of instances. We formulate GNNExplainer as an optimization task that maximizes the mutual information between a GNN's prediction and distribution of possible subgraph structures. Experiments on synthetic and real-world graphs show that our approach can identify important graph structures as well as node features, and outperforms baselines by 17.1% on average. GNNExplainer provides a variety of benefits, from the ability to visualize semantically relevant structures to interpretability, to giving insights into errors of faulty GNNs.

Large Language Models (LLMs) are capable of performing zero-shot closed-book question answering tasks, based on their internal knowledge stored in parameters during pre-training. However, such internalized knowledge might be insufficient and incorrect, which could lead LLMs to generate factually wrong answers. Furthermore, fine-tuning LLMs to update their knowledge is expensive. To this end, we propose to augment the knowledge directly in the input of LLMs. Specifically, we first retrieve the relevant facts to the input question from the knowledge graph based on semantic similarities between the question and its associated facts. After that, we prepend the retrieved facts to the input question in the form of the prompt, which is then forwarded to LLMs to generate the answer. Our framework, Knowledge-Augmented language model PromptING (KAPING), requires no model training, thus completely zero-shot. We validate the performance of our KAPING framework on the knowledge graph question answering task, that aims to answer the user's question based on facts over a knowledge graph, on which ours outperforms relevant zero-shot baselines by up to 48% in average, across multiple LLMs of various sizes.

Recent advances in learning multi-modal representation have witnessed the success in biomedical domains. While established techniques enable handling multi-modal information, the challenges are posed when extended to various clinical modalities and practical modalitymissing setting due to the inherent modality gaps. To tackle these, we propose an innovative Modality-prompted Heterogeneous Graph for Omnimodal Learning (GTP-4o), which embeds the numerous disparate clinical modalities into a unified representation, completes the deficient embedding of missing modality and reformulates the cross-modal learning with a graph-based aggregation. Specially, we establish a heterogeneous graph embedding to explicitly capture the diverse semantic properties on both the modality-specific features (nodes) and the cross-modal relations (edges). Then, we design a modality-prompted completion that enables completing the inadequate graph representation of missing modality through a graph prompting mechanism, which generates hallucination graphic topologies to steer the missing embedding towards the intact representation. Through the completed graph, we meticulously develop a knowledge-guided hierarchical cross-modal aggregation consisting of a global meta-path neighbouring to uncover the potential heterogeneous neighbors along the pathways driven by domain knowledge, and a local multi-relation aggregation module for the comprehensive cross-modal interaction across various heterogeneous relations. We assess the efficacy of our methodology on rigorous benchmarking experiments against prior state-of-the-arts. In a nutshell, GTP-4o presents an initial foray into the intriguing realm of embedding, relating and perceiving the heterogeneous patterns from various clinical modalities holistically via a graph theory. Project page: https://gtp-4-o.github.io/.

Learning on text-attributed graphs (TAGs), in which nodes are associated with one or more texts, has been the subject of much recent work. However, most approaches tend to make strong assumptions about the downstream task of interest, are reliant on hand-labeled data, or fail to equally balance the importance of both text and graph representations. In this work, we propose Contrastive Graph-Text pretraining (ConGraT), a general, self-supervised approach for jointly learning separate representations of texts and nodes in a TAG. Our method trains a language model (LM) and a graph neural network (GNN) to align their representations in a common latent space using a batch-wise contrastive learning objective inspired by CLIP. We further propose an extension to the CLIP objective that leverages graph structure to incorporate information about inter-node similarity. Extensive experiments demonstrate that ConGraT outperforms baselines on various downstream tasks, including node and text category classification, link prediction, and language modeling. Finally, we present an application of our method to community detection in social graphs, which enables finding more textually grounded communities, rather than purely graph-based ones. Code and certain datasets are available at https://github.com/wwbrannon/congrat.

Molecular representation learning contributes to multiple downstream tasks such as molecular property prediction and drug design. To properly represent molecules, graph contrastive learning is a promising paradigm as it utilizes self-supervision signals and has no requirements for human annotations. However, prior works fail to incorporate fundamental domain knowledge into graph semantics and thus ignore the correlations between atoms that have common attributes but are not directly connected by bonds. To address these issues, we construct a Chemical Element Knowledge Graph (KG) to summarize microscopic associations between elements and propose a novel Knowledge-enhanced Contrastive Learning (KCL) framework for molecular representation learning. KCL framework consists of three modules. The first module, knowledge-guided graph augmentation, augments the original molecular graph based on the Chemical Element KG. The second module, knowledge-aware graph representation, extracts molecular representations with a common graph encoder for the original molecular graph and a Knowledge-aware Message Passing Neural Network (KMPNN) to encode complex information in the augmented molecular graph. The final module is a contrastive objective, where we maximize agreement between these two views of molecular graphs. Extensive experiments demonstrated that KCL obtained superior performances against state-of-the-art baselines on eight molecular datasets. Visualization experiments properly interpret what KCL has learned from atoms and attributes in the augmented molecular graphs. Our codes and data are available at https://github.com/ZJU-Fangyin/KCL.

With the emergence of data marketplaces, the demand for methods to assess the value of data has increased significantly. While numerous techniques have been proposed for this purpose, none have specifically addressed graphs as the main data modality. Graphs are widely used across various fields, ranging from chemical molecules to social networks. In this study, we break down graphs into two main components: structural and featural, and we focus on evaluating data without relying on specific task-related metrics, making it applicable in practical scenarios where validation requirements may be lacking. We introduce a novel framework called blind message passing, which aligns the seller's and buyer's graphs using a shared node permutation based on graph matching. This allows us to utilize the graph Wasserstein distance to quantify the differences in the structural distribution of graph datasets, called the structural disparities. We then consider featural aspects of buyers' and sellers' graphs for data valuation and capture their statistical similarities and differences, referred to as relevance and diversity, respectively. Our approach ensures that buyers and sellers remain unaware of each other's datasets. Our experiments on real datasets demonstrate the effectiveness of our approach in capturing the relevance, diversity, and structural disparities of seller data for buyers, particularly in graph-based data valuation scenarios.

Learning anatomical segmentation from heterogeneous labels in multi-center datasets is a common situation encountered in clinical scenarios, where certain anatomical structures are only annotated in images coming from particular medical centers, but not in the full database. Here we first show how state-of-the-art pixel-level segmentation models fail in naively learning this task due to domain memorization issues and conflicting labels. We then propose to adopt HybridGNet, a landmark-based segmentation model which learns the available anatomical structures using graph-based representations. By analyzing the latent space learned by both models, we show that HybridGNet naturally learns more domain-invariant feature representations, and provide empirical evidence in the context of chest X-ray multiclass segmentation. We hope these insights will shed light on the training of deep learning models with heterogeneous labels from public and multi-center datasets.

Business Intelligence (BI) is crucial in modern enterprises and billion-dollar business. Traditionally, technical experts like database administrators would manually prepare BI-models (e.g., in star or snowflake schemas) that join tables in data warehouses, before less-technical business users can run analytics using end-user dashboarding tools. However, the popularity of self-service BI (e.g., Tableau and Power-BI) in recent years creates a strong demand for less technical end-users to build BI-models themselves. We develop an Auto-BI system that can accurately predict BI models given a set of input tables, using a principled graph-based optimization problem we propose called k-Min-Cost-Arborescence (k-MCA), which holistically considers both local join prediction and global schema-graph structures, leveraging a graph-theoretical structure called arborescence. While we prove k-MCA is intractable and inapproximate in general, we develop novel algorithms that can solve k-MCA optimally, which is shown to be efficient in practice with sub-second latency and can scale to the largest BI-models we encounter (with close to 100 tables). Auto-BI is rigorously evaluated on a unique dataset with over 100K real BI models we harvested, as well as on 4 popular TPC benchmarks. It is shown to be both efficient and accurate, achieving over 0.9 F1-score on both real and synthetic benchmarks.

Nowadays, data is represented by vectors. Retrieving those vectors, among millions and billions, that are similar to a given query is a ubiquitous problem, known as similarity search, of relevance for a wide range of applications. Graph-based indices are currently the best performing techniques for billion-scale similarity search. However, their random-access memory pattern presents challenges to realize their full potential. In this work, we present new techniques and systems for creating faster and smaller graph-based indices. To this end, we introduce a novel vector compression method, Locally-adaptive Vector Quantization (LVQ), that uses per-vector scaling and scalar quantization to improve search performance with fast similarity computations and a reduced effective bandwidth, while decreasing memory footprint and barely impacting accuracy. LVQ, when combined with a new high-performance computing system for graph-based similarity search, establishes the new state of the art in terms of performance and memory footprint. For billions of vectors, LVQ outcompetes the second-best alternatives: (1) in the low-memory regime, by up to 20.7x in throughput with up to a 3x memory footprint reduction, and (2) in the high-throughput regime by 5.8x with 1.4x less memory.

Extracting meaningful insights from large and complex datasets poses significant challenges, particularly in ensuring the accuracy and relevance of retrieved information. Traditional data retrieval methods such as sequential search and index-based retrieval often fail when handling intricate and interconnected data structures, resulting in incomplete or misleading outputs. To overcome these limitations, we introduce Structured-GraphRAG, a versatile framework designed to enhance information retrieval across structured datasets in natural language queries. Structured-GraphRAG utilizes multiple knowledge graphs, which represent data in a structured format and capture complex relationships between entities, enabling a more nuanced and comprehensive retrieval of information. This graph-based approach reduces the risk of errors in language model outputs by grounding responses in a structured format, thereby enhancing the reliability of results. We demonstrate the effectiveness of Structured-GraphRAG by comparing its performance with that of a recently published method using traditional retrieval-augmented generation. Our findings show that Structured-GraphRAG significantly improves query processing efficiency and reduces response times. While our case study focuses on soccer data, the framework's design is broadly applicable, offering a powerful tool for data analysis and enhancing language model applications across various structured domains.

Graph autoencoders are efficient at embedding graph-based data sets. Most graph autoencoder architectures have shallow depths which limits their ability to capture meaningful relations between nodes separated by multi-hops. In this paper, we propose Residual Variational Graph Autoencoder, ResVGAE, a deep variational graph autoencoder model with multiple residual modules. We show that our multiple residual modules, a convolutional layer with residual connection, improve the average precision of the graph autoencoders. Experimental results suggest that our proposed model with residual modules outperforms the models without residual modules and achieves similar results when compared with other state-of-the-art methods.

Advanced compiler technology is crucial for enabling machine learning applications to run on novel hardware, but traditional compilers fail to deliver performance, popular auto-tuners have long search times and expert-optimized libraries introduce unsustainable costs. To address this, we developed LoopTune, a deep reinforcement learning compiler that optimizes tensor computations in deep learning models for the CPU. LoopTune optimizes tensor traversal order while using the ultra-fast lightweight code generator LoopNest to perform hardware-specific optimizations. With a novel graph-based representation and action space, LoopTune speeds up LoopNest by 3.2x, generating an order of magnitude faster code than TVM, 2.8x faster than MetaSchedule, and 1.08x faster than AutoTVM, consistently performing at the level of the hand-tuned library Numpy. Moreover, LoopTune tunes code in order of seconds.

The generation of large-scale urban layouts has garnered substantial interest across various disciplines. Prior methods have utilized procedural generation requiring manual rule coding or deep learning needing abundant data. However, prior approaches have not considered the context-sensitive nature of urban layout generation. Our approach addresses this gap by leveraging a canonical graph representation for the entire city, which facilitates scalability and captures the multi-layer semantics inherent in urban layouts. We introduce a novel graph-based masked autoencoder (GMAE) for city-scale urban layout generation. The method encodes attributed buildings, city blocks, communities and cities into a unified graph structure, enabling self-supervised masked training for graph autoencoder. Additionally, we employ scheduled iterative sampling for 2.5D layout generation, prioritizing the generation of important city blocks and buildings. Our approach achieves good realism, semantic consistency, and correctness across the heterogeneous urban styles in 330 US cities. Codes and datasets are released at https://github.com/Arking1995/COHO.

Pre-trained transformer language models (LMs) have in recent years become the dominant paradigm in applied NLP. These models have achieved state-of-the-art performance on tasks such as information extraction, question answering, sentiment analysis, document classification and many others. In the biomedical domain, significant progress has been made in adapting this paradigm to NLP tasks that require the integration of domain-specific knowledge as well as statistical modelling of language. In particular, research in this area has focused on the question of how best to construct LMs that take into account not only the patterns of token distribution in medical text, but also the wealth of structured information contained in terminology resources such as the UMLS. This work contributes a data-centric paradigm for enriching the language representations of biomedical transformer-encoder LMs by extracting text sequences from the UMLS. This allows for graph-based learning objectives to be combined with masked-language pre-training. Preliminary results from experiments in the extension of pre-trained LMs as well as training from scratch show that this framework improves downstream performance on multiple biomedical and clinical Named Entity Recognition (NER) tasks.

Reliable multi-agent trajectory prediction is crucial for the safe planning and control of autonomous systems. Compared with single-agent cases, the major challenge in simultaneously processing multiple agents lies in modeling complex social interactions caused by various driving intentions and road conditions. Previous methods typically leverage graph-based message propagation or attention mechanism to encapsulate such interactions in the format of marginal probabilistic distributions. However, it is inherently sub-optimal. In this paper, we propose IPCC-TP, a novel relevance-aware module based on Incremental Pearson Correlation Coefficient to improve multi-agent interaction modeling. IPCC-TP learns pairwise joint Gaussian Distributions through the tightly-coupled estimation of the means and covariances according to interactive incremental movements. Our module can be conveniently embedded into existing multi-agent prediction methods to extend original motion distribution decoders. Extensive experiments on nuScenes and Argoverse 2 datasets demonstrate that IPCC-TP improves the performance of baselines by a large margin.

Logical reasoning is of vital importance to natural language understanding. Previous studies either employ graph-based models to incorporate prior knowledge about logical relations, or introduce symbolic logic into neural models through data augmentation. These methods, however, heavily depend on annotated training data, and thus suffer from over-fitting and poor generalization problems due to the dataset sparsity. To address these two problems, in this paper, we propose MERIt, a MEta-path guided contrastive learning method for logical ReasonIng of text, to perform self-supervised pre-training on abundant unlabeled text data. Two novel strategies serve as indispensable components of our method. In particular, a strategy based on meta-path is devised to discover the logical structure in natural texts, followed by a counterfactual data augmentation strategy to eliminate the information shortcut induced by pre-training. The experimental results on two challenging logical reasoning benchmarks, i.e., ReClor and LogiQA, demonstrate that our method outperforms the SOTA baselines with significant improvements.

In the deep learning (DL) era, parsing models are extremely simplified with little hurt on performance, thanks to the remarkable capability of multi-layer BiLSTMs in context representation. As the most popular graph-based dependency parser due to its high efficiency and performance, the biaffine parser directly scores single dependencies under the arc-factorization assumption, and adopts a very simple local token-wise cross-entropy training loss. This paper for the first time presents a second-order TreeCRF extension to the biaffine parser. For a long time, the complexity and inefficiency of the inside-outside algorithm hinder the popularity of TreeCRF. To address this issue, we propose an effective way to batchify the inside and Viterbi algorithms for direct large matrix operation on GPUs, and to avoid the complex outside algorithm via efficient back-propagation. Experiments and analysis on 27 datasets from 13 languages clearly show that techniques developed before the DL era, such as structural learning (global TreeCRF loss) and high-order modeling are still useful, and can further boost parsing performance over the state-of-the-art biaffine parser, especially for partially annotated training data. We release our code at https://github.com/yzhangcs/crfpar.

We present TANGO, a framework for generating co-speech body-gesture videos. Given a few-minute, single-speaker reference video and target speech audio, TANGO produces high-fidelity videos with synchronized body gestures. TANGO builds on Gesture Video Reenactment (GVR), which splits and retrieves video clips using a directed graph structure - representing video frames as nodes and valid transitions as edges. We address two key limitations of GVR: audio-motion misalignment and visual artifacts in GAN-generated transition frames. In particular, (i) we propose retrieving gestures using latent feature distance to improve cross-modal alignment. To ensure the latent features could effectively model the relationship between speech audio and gesture motion, we implement a hierarchical joint embedding space (AuMoCLIP); (ii) we introduce the diffusion-based model to generate high-quality transition frames. Our diffusion model, Appearance Consistent Interpolation (ACInterp), is built upon AnimateAnyone and includes a reference motion module and homography background flow to preserve appearance consistency between generated and reference videos. By integrating these components into the graph-based retrieval framework, TANGO reliably produces realistic, audio-synchronized videos and outperforms all existing generative and retrieval methods. Our codes and pretrained models are available: https://pantomatrix.github.io/TANGO/

The misuse of large language models (LLMs) has garnered significant attention from the general public and LLM vendors. In response, efforts have been made to align LLMs with human values and intent use. However, a particular type of adversarial prompts, known as jailbreak prompt, has emerged and continuously evolved to bypass the safeguards and elicit harmful content from LLMs. In this paper, we conduct the first measurement study on jailbreak prompts in the wild, with 6,387 prompts collected from four platforms over six months. Leveraging natural language processing technologies and graph-based community detection methods, we discover unique characteristics of jailbreak prompts and their major attack strategies, such as prompt injection and privilege escalation. We also observe that jailbreak prompts increasingly shift from public platforms to private ones, posing new challenges for LLM vendors in proactive detection. To assess the potential harm caused by jailbreak prompts, we create a question set comprising 46,800 samples across 13 forbidden scenarios. Our experiments show that current LLMs and safeguards cannot adequately defend jailbreak prompts in all scenarios. Particularly, we identify two highly effective jailbreak prompts which achieve 0.99 attack success rates on ChatGPT (GPT-3.5) and GPT-4, and they have persisted online for over 100 days. Our work sheds light on the severe and evolving threat landscape of jailbreak prompts. We hope our study can facilitate the research community and LLM vendors in promoting safer and regulated LLMs.

We present a new approach for the approximate K-nearest neighbor search based on navigable small world graphs with controllable hierarchy (Hierarchical NSW, HNSW). The proposed solution is fully graph-based, without any need for additional search structures, which are typically used at the coarse search stage of the most proximity graph techniques. Hierarchical NSW incrementally builds a multi-layer structure consisting from hierarchical set of proximity graphs (layers) for nested subsets of the stored elements. The maximum layer in which an element is present is selected randomly with an exponentially decaying probability distribution. This allows producing graphs similar to the previously studied Navigable Small World (NSW) structures while additionally having the links separated by their characteristic distance scales. Starting search from the upper layer together with utilizing the scale separation boosts the performance compared to NSW and allows a logarithmic complexity scaling. Additional employment of a heuristic for selecting proximity graph neighbors significantly increases performance at high recall and in case of highly clustered data. Performance evaluation has demonstrated that the proposed general metric space search index is able to strongly outperform previous opensource state-of-the-art vector-only approaches. Similarity of the algorithm to the skip list structure allows straightforward balanced distributed implementation.

We present a new approach for generating 3D house wireframes with semantic enrichment using an autoregressive model. Unlike conventional generative models that independently process vertices, edges, and faces, our approach employs a unified wire-based representation for improved coherence in learning 3D wireframe structures. By re-ordering wire sequences based on semantic meanings, we facilitate seamless semantic integration during sequence generation. Our two-phase technique merges a graph-based autoencoder with a transformer-based decoder to learn latent geometric tokens and generate semantic-aware wireframes. Through iterative prediction and decoding during inference, our model produces detailed wireframes that can be easily segmented into distinct components, such as walls, roofs, and rooms, reflecting the semantic essence of the shape. Empirical results on a comprehensive house dataset validate the superior accuracy, novelty, and semantic fidelity of our model compared to existing generative models. More results and details can be found on https://vcc.tech/research/2024/3DWire.

Compared with visual signals, Inertial Measurement Units (IMUs) placed on human limbs can capture accurate motion signals while being robust to lighting variation and occlusion. While these characteristics are intuitively valuable to help egocentric action recognition, the potential of IMUs remains under-explored. In this work, we present a novel method for action recognition that integrates motion data from body-worn IMUs with egocentric video. Due to the scarcity of labeled multimodal data, we design an MAE-based self-supervised pretraining method, obtaining strong multi-modal representations via modeling the natural correlation between visual and motion signals. To model the complex relation of multiple IMU devices placed across the body, we exploit the collaborative dynamics in multiple IMU devices and propose to embed the relative motion features of human joints into a graph structure. Experiments show our method can achieve state-of-the-art performance on multiple public datasets. The effectiveness of our MAE-based pretraining and graph-based IMU modeling are further validated by experiments in more challenging scenarios, including partially missing IMU devices and video quality corruption, promoting more flexible usages in the real world.

As a fundamental task in computational chemistry, retrosynthesis prediction aims to identify a set of reactants to synthesize a target molecule. Existing template-free approaches only consider the graph structures of the target molecule, which often cannot generalize well to rare reaction types and large molecules. Here, we propose T-Rex, a text-assisted retrosynthesis prediction approach that exploits pre-trained text language models, such as ChatGPT, to assist the generation of reactants. T-Rex first exploits ChatGPT to generate a description for the target molecule and rank candidate reaction centers based both the description and the molecular graph. It then re-ranks these candidates by querying the descriptions for each reactants and examines which group of reactants can best synthesize the target molecule. We observed that T-Rex substantially outperformed graph-based state-of-the-art approaches on two datasets, indicating the effectiveness of considering text information. We further found that T-Rex outperformed the variant that only use ChatGPT-based description without the re-ranking step, demonstrate how our framework outperformed a straightforward integration of ChatGPT and graph information. Collectively, we show that text generated by pre-trained language models can substantially improve retrosynthesis prediction, opening up new avenues for exploiting ChatGPT to advance computational chemistry. And the codes can be found at https://github.com/lauyikfung/T-Rex.

Web3Recommend is a decentralized Social Recommender System implementation that enables Web3 Platforms on Android to generate recommendations that balance trust and relevance. Generating recommendations in decentralized networks is a non-trivial problem because these networks lack a global perspective due to the absence of a central authority. Further, decentralized networks are prone to Sybil Attacks in which a single malicious user can generate multiple fake or Sybil identities. Web3Recommend relies on a novel graph-based content recommendation design inspired by GraphJet, a recommendation system used in Twitter enhanced with MeritRank, a decentralized reputation scheme that provides Sybil-resistance to the system. By adding MeritRank's decay parameters to the vanilla Social Recommender Systems' personalized SALSA graph algorithm, we can provide theoretical guarantees against Sybil Attacks in the generated recommendations. Similar to GraphJet, we focus on generating real-time recommendations by only acting on recent interactions in the social network, allowing us to cater temporally contextual recommendations while keeping a tight bound on the memory usage in resource-constrained devices, allowing for a seamless user experience. As a proof-of-concept, we integrate our system with MusicDAO, an open-source Web3 music-sharing platform, to generate personalized, real-time recommendations. Thus, we provide the first Sybil-resistant Social Recommender System, allowing real-time recommendations beyond classic user-based collaborative filtering. The system is also rigorously tested with extensive unit and integration tests. Further, our experiments demonstrate the trust-relevance balance of recommendations against multiple adversarial strategies in a test network generated using data from real music platforms.

The fervor for Non-Fungible Tokens (NFTs) attracted countless creators, leading to a Big Bang of digital assets driven by latent or explicit forms of inspiration, as in many creative processes. This work exploits Vision Transformers and graph-based modeling to delve into visual inspiration phenomena between NFTs over the years. Our goals include unveiling the main structural traits that shape visual inspiration networks, exploring the interrelation between visual inspiration and asset performances, investigating crypto influence on inspiration processes, and explaining the inspiration relationships among NFTs. Our findings unveil how the pervasiveness of inspiration led to a temporary saturation of the visual feature space, the impact of the dichotomy between inspiring and inspired NFTs on their financial performance, and an intrinsic self-regulatory mechanism between markets and inspiration waves. Our work can serve as a starting point for gaining a broader view of the evolution of Web3.

Many recent approaches to natural language tasks are built on the remarkable abilities of large language models. Large language models can perform in-context learning, where they learn a new task from a few task demonstrations, without any parameter updates. This work examines the implications of in-context learning for the creation of datasets for new natural language tasks. Departing from recent in-context learning methods, we formulate an annotation-efficient, two-step framework: selective annotation that chooses a pool of examples to annotate from unlabeled data in advance, followed by prompt retrieval that retrieves task examples from the annotated pool at test time. Based on this framework, we propose an unsupervised, graph-based selective annotation method, voke-k, to select diverse, representative examples to annotate. Extensive experiments on 10 datasets (covering classification, commonsense reasoning, dialogue, and text/code generation) demonstrate that our selective annotation method improves the task performance by a large margin. On average, vote-k achieves a 12.9%/11.4% relative gain under an annotation budget of 18/100, as compared to randomly selecting examples to annotate. Compared to state-of-the-art supervised finetuning approaches, it yields similar performance with 10-100x less annotation cost across 10 tasks. We further analyze the effectiveness of our framework in various scenarios: language models with varying sizes, alternative selective annotation methods, and cases where there is a test data domain shift. We hope that our studies will serve as a basis for data annotations as large language models are increasingly applied to new tasks. Our code is available at https://github.com/HKUNLP/icl-selective-annotation.

This paper demonstrates how a graph-based semantic parser can be applied to the task of structured sentiment analysis, directly predicting sentiment graphs from text. We advance the state of the art on 4 out of 5 standard benchmark sets. We release the source code, models and predictions.

This paper builds off recent work from Kiperwasser & Goldberg (2016) using neural attention in a simple graph-based dependency parser. We use a larger but more thoroughly regularized parser than other recent BiLSTM-based approaches, with biaffine classifiers to predict arcs and labels. Our parser gets state of the art or near state of the art performance on standard treebanks for six different languages, achieving 95.7% UAS and 94.1% LAS on the most popular English PTB dataset. This makes it the highest-performing graph-based parser on this benchmark---outperforming Kiperwasser Goldberg (2016) by 1.8% and 2.2%---and comparable to the highest performing transition-based parser (Kuncoro et al., 2016), which achieves 95.8% UAS and 94.6% LAS. We also show which hyperparameter choices had a significant effect on parsing accuracy, allowing us to achieve large gains over other graph-based approaches.

Since fake news poses a serious threat to society and individuals, numerous studies have been brought by considering text, propagation and user profiles. Due to the data collection problem, these methods based on propagation and user profiles are less applicable in the early stages. A good alternative method is to detect news based on text as soon as they are released, and a lot of text-based methods were proposed, which usually utilized words, sentences or paragraphs as basic units. But, word is a too fine-grained unit to express coherent information well, sentence or paragraph is too coarse to show specific information. Which granularity is better and how to utilize it to enhance text representation for fake news detection are two key problems. In this paper, we introduce Elementary Discourse Unit (EDU) whose granularity is between word and sentence, and propose a multi-EDU-structure awareness model to improve text representation for fake news detection, namely EDU4FD. For the multi-EDU-structure awareness, we build the sequence-based EDU representations and the graph-based EDU representations. The former is gotten by modeling the coherence between consecutive EDUs with TextCNN that reflect the semantic coherence. For the latter, we first extract rhetorical relations to build the EDU dependency graph, which can show the global narrative logic and help deliver the main idea truthfully. Then a Relation Graph Attention Network (RGAT) is set to get the graph-based EDU representation. Finally, the two EDU representations are incorporated as the enhanced text representation for fake news detection, using a gated recursive unit combined with a global attention mechanism. Experiments on four cross-source fake news datasets show that our model outperforms the state-of-the-art text-based methods.

This paper introduces Opus, a novel framework for generating and optimizing Workflows tailored to complex Business Process Outsourcing (BPO) use cases, focusing on cost reduction and quality enhancement while adhering to established industry processes and operational constraints. Our approach generates executable Workflows from Intention, defined as the alignment of Client Input, Client Output, and Process Context. These Workflows are represented as Directed Acyclic Graphs (DAGs), with nodes as Tasks consisting of sequences of executable Instructions, including tools and human expert reviews. We adopt a two-phase methodology: Workflow Generation and Workflow Optimization. In the Generation phase, Workflows are generated using a Large Work Model (LWM) informed by a Work Knowledge Graph (WKG) that encodes domain-specific procedural and operational knowledge. In the Optimization phase, Workflows are transformed into Workflow Graphs (WFGs), where optimal Workflows are determined through path optimization. Our experiments demonstrate that state-of-the-art Large Language Models (LLMs) face challenges in reliably retrieving detailed process data as well as generating industry-compliant workflows. The key contributions of this paper include: - The integration of a Work Knowledge Graph (WKG) into a Large Work Model (LWM), enabling the generation of context-aware, semantically aligned, structured and auditable Workflows. - A two-phase approach that combines Workflow Generation from Intention with graph-based Workflow Optimization. - Opus Alpha 1 Large and Opus Alpha 1 Small, models that outperform state-of-the-art LLMs by 38\% and 29\% respectively in Workflow Generation for a Medical Coding use case.

Recent Multi-Party Conversation (MPC) models typically rely on graph-based approaches to capture dialogue structures. However, these methods have limitations, such as information loss during the projection of utterances into structural embeddings and constraints in leveraging pre-trained language models directly. In this paper, we propose SS-MPC, a response generation model for MPC that eliminates the need for explicit graph structures. Unlike existing models that depend on graphs to analyze conversation structures, SS-MPC internally encodes the dialogue structure as a sequential input, enabling direct utilization of pre-trained language models. Experimental results show that SS-MPC achieves 15.60\% BLEU-1 and 12.44\% ROUGE-L score, outperforming the current state-of-the-art MPC response generation model by 3.91\%p in BLEU-1 and 0.62\%p in ROUGE-L. Additionally, human evaluation confirms that SS-MPC generates more fluent and accurate responses compared to existing MPC models.

In this study, we present a technique that spans multi-scale views (global scale -- meaning brain network-level and local scale -- examining each individual ROI that constitutes the network) applied to resting-state fMRI volumes. Deep learning based classification is utilized in understanding neurodegeneration. The novelty of the proposed approach lies in utilizing two extreme scales of analysis. One branch considers the entire network within graph-analysis framework. Concurrently, the second branch scrutinizes each ROI within a network independently, focusing on evolution of dynamics. For each subject, graph-based approach employs partial correlation to profile the subject in a single graph where each ROI is a node, providing insights into differences in levels of participation. In contrast, non-linear analysis employs recurrence plots to profile a subject as a multichannel 2D image, revealing distinctions in underlying dynamics. The proposed approach is employed for classification of a cohort of 50 healthy control (HC) and 50 Mild Cognitive Impairment (MCI), sourced from ADNI dataset. Results point to: (1) reduced activity in ROIs such as PCC in MCI (2) greater activity in occipital in MCI, which is not seen in HC (3) when analysed for dynamics, all ROIs in MCI show greater predictability in time-series.

Recommender systems have seen significant advancements with the influence of deep learning and graph neural networks, particularly in capturing complex user-item relationships. However, these graph-based recommenders heavily depend on ID-based data, potentially disregarding valuable textual information associated with users and items, resulting in less informative learned representations. Moreover, the utilization of implicit feedback data introduces potential noise and bias, posing challenges for the effectiveness of user preference learning. While the integration of large language models (LLMs) into traditional ID-based recommenders has gained attention, challenges such as scalability issues, limitations in text-only reliance, and prompt input constraints need to be addressed for effective implementation in practical recommender systems. To address these challenges, we propose a model-agnostic framework RLMRec that aims to enhance existing recommenders with LLM-empowered representation learning. It proposes a recommendation paradigm that integrates representation learning with LLMs to capture intricate semantic aspects of user behaviors and preferences. RLMRec incorporates auxiliary textual signals, develops a user/item profiling paradigm empowered by LLMs, and aligns the semantic space of LLMs with the representation space of collaborative relational signals through a cross-view alignment framework. This work further establish a theoretical foundation demonstrating that incorporating textual signals through mutual information maximization enhances the quality of representations. In our evaluation, we integrate RLMRec with state-of-the-art recommender models, while also analyzing its efficiency and robustness to noise data. Our implementation codes are available at https://github.com/HKUDS/RLMRec.

Learned sparse text embeddings have gained popularity due to their effectiveness in top-k retrieval and inherent interpretability. Their distributional idiosyncrasies, however, have long hindered their use in real-world retrieval systems. That changed with the recent development of approximate algorithms that leverage the distributional properties of sparse embeddings to speed up retrieval. Nonetheless, in much of the existing literature, evaluation has been limited to datasets with only a few million documents such as MSMARCO. It remains unclear how these systems behave on much larger datasets and what challenges lurk in larger scales. To bridge that gap, we investigate the behavior of state-of-the-art retrieval algorithms on massive datasets. We compare and contrast the recently-proposed Seismic and graph-based solutions adapted from dense retrieval. We extensively evaluate Splade embeddings of 138M passages from MsMarco-v2 and report indexing time and other efficiency and effectiveness metrics.

This paper explores the transformative role of Agent AI and LangGraph in advancing the automation and effectiveness of machine translation (MT). Agents are modular components designed to perform specific tasks, such as translating between particular languages, with specializations like TranslateEnAgent, TranslateFrenchAgent, and TranslateJpAgent for English, French, and Japanese translations, respectively. These agents leverage the powerful semantic capabilities of large language models (LLMs), such as GPT-4o, to ensure accurate, contextually relevant translations while maintaining modularity, scalability, and context retention. LangGraph, a graph-based framework built on LangChain, simplifies the creation and management of these agents and their workflows. It supports dynamic state management, enabling agents to maintain dialogue context and automates complex workflows by linking agents and facilitating their collaboration. With flexibility, open-source community support, and seamless integration with LLMs, LangGraph empowers agents to deliver high-quality translations. Together, Agent AI and LangGraph create a cohesive system where LangGraph orchestrates agent interactions, ensuring that user inputs are analyzed, routed, and processed efficiently. Experimental results demonstrate the potential of this system to enhance multilingual translation accuracy and scalability. By highlighting modular design and automated workflows, this paper sets the stage for further innovations in intelligent machine translation services.

Heatwaves pose significant health risks, particularly due to prolonged exposure to high summer temperatures. Vulnerable groups, especially pedestrians and cyclists on sun-exposed sidewalks, motivate the development of a route planning method that incorporates somatosensory temperature effects through shade ratio consideration. This paper is the first to introduce a pipeline that utilizes segmentation foundation models to extract shaded areas from high-resolution satellite images. These areas are then integrated into a multi-layered road map, enabling users to customize routes based on a balance between distance and shade exposure, thereby enhancing comfort and health during outdoor activities. Specifically, we construct a graph-based representation of the road map, where links indicate connectivity and are updated with shade ratio data for dynamic route planning. This system is already implemented online, with a video demonstration, and will be specifically adapted to assist travelers during the 2024 Olympic Games in Paris.

We propose a novel VQA dataset, based on picture stories designed for educating young children, that aims to facilitate comprehensive evaluation and characterization of vision-language models on comprehension tasks. Unlike current VQA datasets that often focus on fact-based memorization and simple reasoning tasks without principled scientific grounding, we collect data containing tasks reflecting different levels of comprehension and underlying cognitive processes, as laid out in Bloom's Taxonomy, a classic framework widely adopted in education research. The proposed BloomVQA dataset can be mapped to a hierarchical graph-based representation of visual stories, enabling automatic data augmentation and novel measures characterizing model consistency across the underlying taxonomy. We demonstrate graded evaluation and reliability analysis based on our proposed consistency metrics on state-of-the-art vision-language models. Our results suggest that, while current models achieve the most gain on low-level comprehension tasks, they generally fall short on high-level tasks requiring more advanced comprehension and cognitive skills, as 38.0% drop in VQA accuracy is observed comparing lowest and highest level tasks. Furthermore, current models show consistency patterns misaligned with human comprehension in various scenarios, suggesting emergent structures of model behaviors.

We present a novel quasi-Monte Carlo mechanism to improve graph-based sampling, coined repelling random walks. By inducing correlations between the trajectories of an interacting ensemble such that their marginal transition probabilities are unmodified, we are able to explore the graph more efficiently, improving the concentration of statistical estimators whilst leaving them unbiased. The mechanism has a trivial drop-in implementation. We showcase the effectiveness of repelling random walks in a range of settings including estimation of graph kernels, the PageRank vector and graphlet concentrations. We provide detailed experimental evaluation and robust theoretical guarantees. To our knowledge, repelling random walks constitute the first rigorously studied quasi-Monte Carlo scheme correlating the directions of walkers on a graph, inviting new research in this exciting nascent domain.

We present a new formulation for structured information extraction (SIE) from visually rich documents. It aims to address the limitations of existing IOB tagging or graph-based formulations, which are either overly reliant on the correct ordering of input text or struggle with decoding a complex graph. Instead, motivated by anchor-based object detectors in vision, we represent an entity as an anchor word and a bounding box, and represent entity linking as the association between anchor words. This is more robust to text ordering, and maintains a compact graph for entity linking. The formulation motivates us to introduce 1) a DOCument TRansformer (DocTr) that aims at detecting and associating entity bounding boxes in visually rich documents, and 2) a simple pre-training strategy that helps learn entity detection in the context of language. Evaluations on three SIE benchmarks show the effectiveness of the proposed formulation, and the overall approach outperforms existing solutions.

Subgraph matching is a fundamental building block for graph-based applications and is challenging due to its high-order combinatorial nature. Existing studies usually tackle it by combinatorial optimization or learning-based methods. However, they suffer from exponential computational costs or searching the matching without theoretical guarantees. In this paper, we develop D2Match by leveraging the efficiency of Deep learning and Degeneracy for subgraph matching. More specifically, we first prove that subgraph matching can degenerate to subtree matching, and subsequently is equivalent to finding a perfect matching on a bipartite graph. We can then yield an implementation of linear time complexity by the built-in tree-structured aggregation mechanism on graph neural networks. Moreover, circle structures and node attributes can be easily incorporated in D2Match to boost the matching performance. Finally, we conduct extensive experiments to show the superior performance of our D2Match and confirm that our D2Match indeed exploits the subtrees and differs from existing GNNs-based subgraph matching methods that depend on memorizing the data distribution divergence

Question Answering on Electronic Health Records (EHR-QA) has a significant impact on the healthcare domain, and it is being actively studied. Previous research on structured EHR-QA focuses on converting natural language queries into query language such as SQL or SPARQL (NLQ2Query), so the problem scope is limited to pre-defined data types by the specific query language. In order to expand the EHR-QA task beyond this limitation to handle multi-modal medical data and solve complex inference in the future, more primitive systemic language is needed. In this paper, we design the program-based model (NLQ2Program) for EHR-QA as the first step towards the future direction. We tackle MIMICSPARQL*, the graph-based EHR-QA dataset, via a program-based approach in a semi-supervised manner in order to overcome the absence of gold programs. Without the gold program, our proposed model shows comparable performance to the previous state-of-the-art model, which is an NLQ2Query model (0.9% gain). In addition, for a reliable EHR-QA model, we apply the uncertainty decomposition method to measure the ambiguity in the input question. We empirically confirmed data uncertainty is most indicative of the ambiguity in the input question.

Understanding the origins of militarized conflict is a complex, yet important undertaking. Existing research seeks to build this understanding by considering bi-lateral relationships between entity pairs (dyadic causes) and multi-lateral relationships among multiple entities (systemic causes). The aim of this work is to compare these two causes in terms of how they correlate with conflict between two entities. We do this by devising a set of textual and graph-based features which represent each of the causes. The features are extracted from Wikipedia and modeled as a large graph. Nodes in this graph represent entities connected by labeled edges representing ally or enemy-relationships. This allows casting the problem as an edge classification task, which we term dyad classification. We propose and evaluate classifiers to determine if a particular pair of entities are allies or enemies. Our results suggest that our systemic features might be slightly better correlates of conflict. Further, we find that Wikipedia articles of allies are semantically more similar than enemies.

In drug-discovery-related tasks such as virtual screening, machine learning is emerging as a promising way to predict molecular properties. Conventionally, molecular fingerprints (numerical representations of molecules) are calculated through rule-based algorithms that map molecules to a sparse discrete space. However, these algorithms perform poorly for shallow prediction models or small datasets. To address this issue, we present SMILES Transformer. Inspired by Transformer and pre-trained language models from natural language processing, SMILES Transformer learns molecular fingerprints through unsupervised pre-training of the sequence-to-sequence language model using a huge corpus of SMILES, a text representation system for molecules. We performed benchmarks on 10 datasets against existing fingerprints and graph-based methods and demonstrated the superiority of the proposed algorithms in small-data settings where pre-training facilitated good generalization. Moreover, we define a novel metric to concurrently measure model accuracy and data efficiency.

Large Language Models (LLMs) are transforming artificial intelligence, evolving into task-oriented systems capable of autonomous planning and execution. One of the primary applications of LLMs is conversational AI systems, which must navigate multi-turn dialogues, integrate domain-specific APIs, and adhere to strict policy constraints. However, evaluating these agents remains a significant challenge, as traditional methods fail to capture the complexity and variability of real-world interactions. We introduce IntellAgent, a scalable, open-source multi-agent framework designed to evaluate conversational AI systems comprehensively. IntellAgent automates the creation of diverse, synthetic benchmarks by combining policy-driven graph modeling, realistic event generation, and interactive user-agent simulations. This innovative approach provides fine-grained diagnostics, addressing the limitations of static and manually curated benchmarks with coarse-grained metrics. IntellAgent represents a paradigm shift in evaluating conversational AI. By simulating realistic, multi-policy scenarios across varying levels of complexity, IntellAgent captures the nuanced interplay of agent capabilities and policy constraints. Unlike traditional methods, it employs a graph-based policy model to represent relationships, likelihoods, and complexities of policy interactions, enabling highly detailed diagnostics. IntellAgent also identifies critical performance gaps, offering actionable insights for targeted optimization. Its modular, open-source design supports seamless integration of new domains, policies, and APIs, fostering reproducibility and community collaboration. Our findings demonstrate that IntellAgent serves as an effective framework for advancing conversational AI by addressing challenges in bridging research and deployment. The framework is available at https://github.com/plurai-ai/intellagent

In an era where accumulating data is easy and storing it inexpensive, feature selection plays a central role in helping to reduce the high-dimensionality of huge amounts of otherwise meaningless data. In this paper, we propose a graph-based method for feature selection that ranks features by identifying the most important ones into arbitrary set of cues. Mapping the problem on an affinity graph-where features are the nodes-the solution is given by assessing the importance of nodes through some indicators of centrality, in particular, the Eigen-vector Centrality (EC). The gist of EC is to estimate the importance of a feature as a function of the importance of its neighbors. Ranking central nodes individuates candidate features, which turn out to be effective from a classification point of view, as proved by a thoroughly experimental section. Our approach has been tested on 7 diverse datasets from recent literature (e.g., biological data and object recognition, among others), and compared against filter, embedded and wrappers methods. The results are remarkable in terms of accuracy, stability and low execution time.

Personalizing large language models (LLMs) is important for aligning outputs with diverse user preferences, yet existing methods struggle with flexibility and generalization. We propose CoPL (Collaborative Preference Learning), a graph-based collaborative filtering framework that models user-response relationships to enhance preference estimation, particularly in sparse annotation settings. By integrating a mixture of LoRA experts, CoPL efficiently fine-tunes LLMs while dynamically balancing shared and user-specific preferences. Additionally, an optimization-free adaptation strategy enables generalization to unseen users without fine-tuning. Experiments on UltraFeedback-P demonstrate that CoPL outperforms existing personalized reward models, effectively capturing both common and controversial preferences, making it a scalable solution for personalized LLM alignment.

Retrieval-Augmented Generation (RAG) has demonstrated remarkable success in enhancing Large Language Models (LLMs) through external knowledge integration, yet its application has primarily focused on textual content, leaving the rich domain of multi-modal video knowledge predominantly unexplored. This paper introduces VideoRAG, the first retrieval-augmented generation framework specifically designed for processing and understanding extremely long-context videos. Our core innovation lies in its dual-channel architecture that seamlessly integrates (i) graph-based textual knowledge grounding for capturing cross-video semantic relationships, and (ii) multi-modal context encoding for efficiently preserving visual features. This novel design empowers VideoRAG to process unlimited-length videos by constructing precise knowledge graphs that span multiple videos while maintaining semantic dependencies through specialized multi-modal retrieval paradigms. Through comprehensive empirical evaluation on our proposed LongerVideos benchmark-comprising over 160 videos totaling 134+ hours across lecture, documentary, and entertainment categories-VideoRAG demonstrates substantial performance compared to existing RAG alternatives and long video understanding methods. The source code of VideoRAG implementation and the benchmark dataset are openly available at: https://github.com/HKUDS/VideoRAG.

Large Language Models (LLMs) have revolutionized the field of natural language processing, but they fall short in comprehending biological sequences such as proteins. To address this challenge, we propose InstructProtein, an innovative LLM that possesses bidirectional generation capabilities in both human and protein languages: (i) taking a protein sequence as input to predict its textual function description and (ii) using natural language to prompt protein sequence generation. To achieve this, we first pre-train an LLM on both protein and natural language corpora, enabling it to comprehend individual languages. Then supervised instruction tuning is employed to facilitate the alignment of these two distinct languages. Herein, we introduce a knowledge graph-based instruction generation framework to construct a high-quality instruction dataset, addressing annotation imbalance and instruction deficits in existing protein-text corpus. In particular, the instructions inherit the structural relations between proteins and function annotations in knowledge graphs, which empowers our model to engage in the causal modeling of protein functions, akin to the chain-of-thought processes in natural languages. Extensive experiments on bidirectional protein-text generation tasks show that InstructProtein outperforms state-of-the-art LLMs by large margins. Moreover, InstructProtein serves as a pioneering step towards text-based protein function prediction and sequence design, effectively bridging the gap between protein and human language understanding.

The ability to engineer novel proteins with higher fitness for a desired property would be revolutionary for biotechnology and medicine. Modeling the combinatorially large space of sequences is infeasible; prior methods often constrain optimization to a small mutational radius, but this drastically limits the design space. Instead of heuristics, we propose smoothing the fitness landscape to facilitate protein optimization. First, we formulate protein fitness as a graph signal then use Tikunov regularization to smooth the fitness landscape. We find optimizing in this smoothed landscape leads to improved performance across multiple methods in the GFP and AAV benchmarks. Second, we achieve state-of-the-art results utilizing discrete energy-based models and MCMC in the smoothed landscape. Our method, called Gibbs sampling with Graph-based Smoothing (GGS), demonstrates a unique ability to achieve 2.5 fold fitness improvement (with in-silico evaluation) over its training set. GGS demonstrates potential to optimize proteins in the limited data regime. Code: https://github.com/kirjner/GGS

Although the preservation of shape continuity and physiological anatomy is a natural assumption in the segmentation of medical images, it is often neglected by deep learning methods that mostly aim for the statistical modeling of input data as pixels rather than interconnected structures. In biological structures, however, organs are not separate entities; for example, in reality, a severed vessel is an indication of an underlying problem, but traditional segmentation models are not designed to strictly enforce the continuity of anatomy, potentially leading to inaccurate medical diagnoses. To address this issue, we propose a graph-based approach that enforces the continuity and connectivity of anatomical topology in medical images. Our method encodes the continuity of shapes as a graph constraint, ensuring that the network's predictions maintain this continuity. We evaluate our method on two public benchmarks on retinal vessel segmentation, showing significant improvements in connectivity metrics compared to traditional methods while getting better or on-par performance on segmentation metrics.

Given a small set of labeled data and a large set of unlabeled data, semi-supervised learning (SSL) attempts to leverage the location of the unlabeled datapoints in order to create a better classifier than could be obtained from supervised methods applied to the labeled training set alone. Effective SSL imposes structural assumptions on the data, e.g. that neighbors are more likely to share a classification or that the decision boundary lies in an area of low density. For complex and high-dimensional data, neural networks can learn feature embeddings to which traditional SSL methods can then be applied in what we call hybrid methods. Previously-developed hybrid methods iterate between refining a latent representation and performing graph-based SSL on this representation. In this paper, we introduce a novel hybrid method that instead applies low-density separation to the embedded features. We describe it in detail and discuss why low-density separation may be better suited for SSL on neural network-based embeddings than graph-based algorithms. We validate our method using in-house customer survey data and compare it to other state-of-the-art learning methods. Our approach effectively classifies thousands of unlabeled users from a relatively small number of hand-classified examples.

Transformers trained with self-supervised learning using self-distillation loss (DINO) have been shown to produce attention maps that highlight salient foreground objects. In this paper, we demonstrate a graph-based approach that uses the self-supervised transformer features to discover an object from an image. Visual tokens are viewed as nodes in a weighted graph with edges representing a connectivity score based on the similarity of tokens. Foreground objects can then be segmented using a normalized graph-cut to group self-similar regions. We solve the graph-cut problem using spectral clustering with generalized eigen-decomposition and show that the second smallest eigenvector provides a cutting solution since its absolute value indicates the likelihood that a token belongs to a foreground object. Despite its simplicity, this approach significantly boosts the performance of unsupervised object discovery: we improve over the recent state of the art LOST by a margin of 6.9%, 8.1%, and 8.1% respectively on the VOC07, VOC12, and COCO20K. The performance can be further improved by adding a second stage class-agnostic detector (CAD). Our proposed method can be easily extended to unsupervised saliency detection and weakly supervised object detection. For unsupervised saliency detection, we improve IoU for 4.9%, 5.2%, 12.9% on ECSSD, DUTS, DUT-OMRON respectively compared to previous state of the art. For weakly supervised object detection, we achieve competitive performance on CUB and ImageNet.

As mathematical computing becomes more democratized in high-level languages, high-performance symbolic-numeric systems are necessary for domain scientists and engineers to get the best performance out of their machine without deep knowledge of code optimization. Naturally, users need different term types either to have different algebraic properties for them, or to use efficient data structures. To this end, we developed Symbolics.jl, an extendable symbolic system which uses dynamic multiple dispatch to change behavior depending on the domain needs. In this work we detail an underlying abstract term interface which allows for speed without sacrificing generality. We show that by formalizing a generic API on actions independent of implementation, we can retroactively add optimized data structures to our system without changing the pre-existing term rewriters. We showcase how this can be used to optimize term construction and give a 113x acceleration on general symbolic transformations. Further, we show that such a generic API allows for complementary term-rewriting implementations. We demonstrate the ability to swap between classical term-rewriting simplifiers and e-graph-based term-rewriting simplifiers. We showcase an e-graph ruleset which minimizes the number of CPU cycles during expression evaluation, and demonstrate how it simplifies a real-world reaction-network simulation to halve the runtime. Additionally, we show a reaction-diffusion partial differential equation solver which is able to be automatically converted into symbolic expressions via multiple dispatch tracing, which is subsequently accelerated and parallelized to give a 157x simulation speedup. Together, this presents Symbolics.jl as a next-generation symbolic-numeric computing environment geared towards modeling and simulation.

This paper presents DWIE, the 'Deutsche Welle corpus for Information Extraction', a newly created multi-task dataset that combines four main Information Extraction (IE) annotation subtasks: (i) Named Entity Recognition (NER), (ii) Coreference Resolution, (iii) Relation Extraction (RE), and (iv) Entity Linking. DWIE is conceived as an entity-centric dataset that describes interactions and properties of conceptual entities on the level of the complete document. This contrasts with currently dominant mention-driven approaches that start from the detection and classification of named entity mentions in individual sentences. Further, DWIE presented two main challenges when building and evaluating IE models for it. First, the use of traditional mention-level evaluation metrics for NER and RE tasks on entity-centric DWIE dataset can result in measurements dominated by predictions on more frequently mentioned entities. We tackle this issue by proposing a new entity-driven metric that takes into account the number of mentions that compose each of the predicted and ground truth entities. Second, the document-level multi-task annotations require the models to transfer information between entity mentions located in different parts of the document, as well as between different tasks, in a joint learning setting. To realize this, we propose to use graph-based neural message passing techniques between document-level mention spans. Our experiments show an improvement of up to 5.5 F1 percentage points when incorporating neural graph propagation into our joint model. This demonstrates DWIE's potential to stimulate further research in graph neural networks for representation learning in multi-task IE. We make DWIE publicly available at https://github.com/klimzaporojets/DWIE.

Community Question Answering (CQA) in different domains is growing at a large scale because of the availability of several platforms and huge shareable information among users. With the rapid growth of such online platforms, a massive amount of archived data makes it difficult for moderators to retrieve possible duplicates for a new question and identify and confirm existing question pairs as duplicates at the right time. This problem is even more critical in CQAs corresponding to large software systems like askubuntu where moderators need to be experts to comprehend something as a duplicate. Note that the prime challenge in such CQA platforms is that the moderators are themselves experts and are therefore usually extremely busy with their time being extraordinarily expensive. To facilitate the task of the moderators, in this work, we have tackled two significant issues for the askubuntu CQA platform: (1) retrieval of duplicate questions given a new question and (2) duplicate question confirmation time prediction. In the first task, we focus on retrieving duplicate questions from a question pool for a particular newly posted question. In the second task, we solve a regression problem to rank a pair of questions that could potentially take a long time to get confirmed as duplicates. For duplicate question retrieval, we propose a Siamese neural network based approach by exploiting both text and network-based features, which outperforms several state-of-the-art baseline techniques. Our method outperforms DupPredictor and DUPE by 5% and 7% respectively. For duplicate confirmation time prediction, we have used both the standard machine learning models and neural network along with the text and graph-based features. We obtain Spearman's rank correlation of 0.20 and 0.213 (statistically significant) for text and graph based features respectively.

Human pose forecasting garners attention for its diverse applications. However, challenges in modeling the multi-modal nature of human motion and intricate interactions among agents persist, particularly with longer timescales and more agents. In this paper, we propose an interaction-aware trajectory-conditioned long-term multi-agent human pose forecasting model, utilizing a coarse-to-fine prediction approach: multi-modal global trajectories are initially forecasted, followed by respective local pose forecasts conditioned on each mode. In doing so, our Trajectory2Pose model introduces a graph-based agent-wise interaction module for a reciprocal forecast of local motion-conditioned global trajectory and trajectory-conditioned local pose. Our model effectively handles the multi-modality of human motion and the complexity of long-term multi-agent interactions, improving performance in complex environments. Furthermore, we address the lack of long-term (6s+) multi-agent (5+) datasets by constructing a new dataset from real-world images and 2D annotations, enabling a comprehensive evaluation of our proposed model. State-of-the-art prediction performance on both complex and simpler datasets confirms the generalized effectiveness of our method. The code is available at https://github.com/Jaewoo97/T2P.

Information seeking and integration is a complex cognitive task that consumes enormous time and effort. Inspired by the remarkable progress of Large Language Models, recent works attempt to solve this task by combining LLMs and search engines. However, these methods still obtain unsatisfying performance due to three challenges: (1) complex requests often cannot be accurately and completely retrieved by the search engine once (2) corresponding information to be integrated is spread over multiple web pages along with massive noise, and (3) a large number of web pages with long contents may quickly exceed the maximum context length of LLMs. Inspired by the cognitive process when humans solve these problems, we introduce MindSearch to mimic the human minds in web information seeking and integration, which can be instantiated by a simple yet effective LLM-based multi-agent framework. The WebPlanner models the human mind of multi-step information seeking as a dynamic graph construction process: it decomposes the user query into atomic sub-questions as nodes in the graph and progressively extends the graph based on the search result from WebSearcher. Tasked with each sub-question, WebSearcher performs hierarchical information retrieval with search engines and collects valuable information for WebPlanner. The multi-agent design of MindSearch enables the whole framework to seek and integrate information parallelly from larger-scale (e.g., more than 300) web pages in 3 minutes, which is worth 3 hours of human effort. MindSearch demonstrates significant improvement in the response quality in terms of depth and breadth, on both close-set and open-set QA problems. Besides, responses from MindSearch based on InternLM2.5-7B are preferable by humans to ChatGPT-Web and Perplexity.ai applications, which implies that MindSearch can already deliver a competitive solution to the proprietary AI search engine.

Web crawl is a main source of large language models' (LLMs) pretraining data, but the majority of crawled web pages are discarded in pretraining due to low data quality. This paper presents Crawl4LLM, an efficient web crawling method that explores the web graph based on the preference of LLM pretraining. Specifically, it leverages the influence of a webpage in LLM pretraining as the priority score of the web crawler's scheduler, replacing the standard graph connectivity based priority. Our experiments on a web graph containing 900 million webpages from a commercial search engine's index demonstrate the efficiency of Crawl4LLM in obtaining high-quality pretraining data. With just 21% URLs crawled, LLMs pretrained on Crawl4LLM data reach the same downstream performances of previous crawls, significantly reducing the crawling waste and alleviating the burdens on websites. Our code is publicly available at https://github.com/cxcscmu/Crawl4LLM.

Cypher, the query language for Neo4j graph databases, plays a critical role in enabling graph-based analytics and data exploration. While substantial research has been dedicated to natural language to SQL query generation (Text2SQL), the analogous problem for graph databases referred to as Text2Cypher remains underexplored. In this work, we introduce SynthCypher, a fully synthetic and automated data generation pipeline designed to address this gap. SynthCypher employs a novel LLMSupervised Generation-Verification framework, ensuring syntactically and semantically correct Cypher queries across diverse domains and query complexities. Using this pipeline, we create SynthCypher Dataset, a large-scale benchmark containing 29.8k Text2Cypher instances. Fine-tuning open-source large language models (LLMs), including LLaMa-3.1- 8B, Mistral-7B, and QWEN-7B, on SynthCypher yields significant performance improvements of up to 40% on the Text2Cypher test set and 30% on the SPIDER benchmark adapted for graph databases. This work demonstrates that high-quality synthetic data can effectively advance the state-of-the-art in Text2Cypher tasks.

Large language models (LLMs), such as ChatGPT and LLaMA, are creating significant advancements in natural language processing, due to their strong text encoding/decoding ability and newly found emergent capability (e.g., reasoning). While LLMs are mainly designed to process pure texts, there are many real-world scenarios where text data are associated with rich structure information in the form of graphs (e.g., academic networks, and e-commerce networks) or scenarios where graph data are paired with rich textual information (e.g., molecules with descriptions). Besides, although LLMs have shown their pure text-based reasoning ability, it is underexplored whether such ability can be generalized to graph scenarios (i.e., graph-based reasoning). In this paper, we provide a systematic review of scenarios and techniques related to large language models on graphs. We first summarize potential scenarios of adopting LLMs on graphs into three categories, namely pure graphs, text-rich graphs, and text-paired graphs. We then discuss detailed techniques for utilizing LLMs on graphs, including LLM as Predictor, LLM as Encoder, and LLM as Aligner, and compare the advantages and disadvantages of different schools of models. Furthermore, we mention the real-world applications of such methods and summarize open-source codes and benchmark datasets. Finally, we conclude with potential future research directions in this fast-growing field. The related source can be found at https://github.com/PeterGriffinJin/Awesome-Language-Model-on-Graphs.

Open-domain question answering aims at solving the task of locating the answers to user-generated questions in massive collections of documents. There are two families of solutions available: retriever-readers, and knowledge-graph-based approaches. A retriever-reader usually first uses information retrieval methods like TF-IDF to locate some documents or paragraphs that are likely to be relevant to the question, and then feeds the retrieved text to a neural network reader to extract the answer. Alternatively, knowledge graphs can be constructed from the corpus and be queried against to answer user questions. We propose a novel algorithm with a reader-retriever structure that differs from both families. Our reader-retriever first uses an offline reader to read the corpus and generate collections of all answerable questions associated with their answers, and then uses an online retriever to respond to user queries by searching the pre-constructed question spaces for answers that are most likely to be asked in the given way. We further combine retriever-reader and reader-retriever results into one single answer by examining the consistency between the two components. We claim that our algorithm solves some bottlenecks in existing work, and demonstrate that it achieves superior accuracy on real-world datasets.

Foundation models have emerged as powerful tools across various domains including language, vision, and multimodal tasks. While prior works have addressed unsupervised image segmentation, they significantly lag behind supervised models. In this paper, we use a diffusion UNet encoder as a foundation vision encoder and introduce DiffCut, an unsupervised zero-shot segmentation method that solely harnesses the output features from the final self-attention block. Through extensive experimentation, we demonstrate that the utilization of these diffusion features in a graph based segmentation algorithm, significantly outperforms previous state-of-the-art methods on zero-shot segmentation. Specifically, we leverage a recursive Normalized Cut algorithm that softly regulates the granularity of detected objects and produces well-defined segmentation maps that precisely capture intricate image details. Our work highlights the remarkably accurate semantic knowledge embedded within diffusion UNet encoders that could then serve as foundation vision encoders for downstream tasks. Project page at https://diffcut-segmentation.github.io

Deep learning has achieved remarkable success in graph-related tasks, yet this accomplishment heavily relies on large-scale high-quality annotated datasets. However, acquiring such datasets can be cost-prohibitive, leading to the practical use of labels obtained from economically efficient sources such as web searches and user tags. Unfortunately, these labels often come with noise, compromising the generalization performance of deep networks. To tackle this challenge and enhance the robustness of deep learning models against label noise in graph-based tasks, we propose a method called ERASE (Error-Resilient representation learning on graphs for lAbel noiSe tolerancE). The core idea of ERASE is to learn representations with error tolerance by maximizing coding rate reduction. Particularly, we introduce a decoupled label propagation method for learning representations. Before training, noisy labels are pre-corrected through structural denoising. During training, ERASE combines prototype pseudo-labels with propagated denoised labels and updates representations with error resilience, which significantly improves the generalization performance in node classification. The proposed method allows us to more effectively withstand errors caused by mislabeled nodes, thereby strengthening the robustness of deep networks in handling noisy graph data. Extensive experimental results show that our method can outperform multiple baselines with clear margins in broad noise levels and enjoy great scalability. Codes are released at https://github.com/eraseai/erase.

Existing visual parsers for molecule diagrams translate pixel-based raster images such as PNGs to chemical structure representations (e.g., SMILES). However, PDFs created by word processors including LaTeX and Word provide explicit locations and shapes for characters, lines, and polygons. We extract symbols from born-digital PDF molecule images and then apply simple graph transformations to capture both visual and chemical structure in editable ChemDraw files (CDXML). Our fast ( PDF rightarrow visual graph rightarrow chemical graph ) pipeline does not require GPUs, Optical Character Recognition (OCR) or vectorization. We evaluate on standard benchmarks using SMILES strings, along with a novel evaluation that provides graph-based metrics and error compilation using LgEval. The geometric information in born-digital PDFs produces a highly accurate parser, motivating generating training data for visual parsers that recognize from raster images, with extracted graphics, visual structure, and chemical structure as annotations. To do this we render SMILES strings in Indigo, parse molecule structure, and then validate recognized structure to select correct files.

Logs play a crucial role in system monitoring and debugging by recording valuable system information, including events and states. Although various methods have been proposed to detect anomalies in log sequences, they often overlook the significance of considering relations among system components, such as services and users, which can be identified from log contents. Understanding these relations is vital for detecting anomalies and their underlying causes. To address this issue, we introduce GLAD, a Graph-based Log Anomaly Detection framework designed to detect relational anomalies in system logs. GLAD incorporates log semantics, relational patterns, and sequential patterns into a unified framework for anomaly detection. Specifically, GLAD first introduces a field extraction module that utilizes prompt-based few-shot learning to identify essential fields from log contents. Then GLAD constructs dynamic log graphs for sliding windows by interconnecting extracted fields and log events parsed from the log parser. These graphs represent events and fields as nodes and their relations as edges. Subsequently, GLAD utilizes a temporal-attentive graph edge anomaly detection model for identifying anomalous relations in these dynamic log graphs. This model employs a Graph Neural Network (GNN)-based encoder enhanced with transformers to capture content, structural and temporal features. We evaluate our proposed method on three datasets, and the results demonstrate the effectiveness of GLAD in detecting anomalies indicated by varying relational patterns.

Heavy computation is a bottleneck limiting deep-learningbased feature matching algorithms to be applied in many realtime applications. However, existing lightweight networks optimized for Euclidean data cannot address classical feature matching tasks, since sparse keypoint based descriptors are expected to be matched. This paper tackles this problem and proposes two concepts: 1) a novel parallel attention model entitled ParaFormer and 2) a graph based U-Net architecture with attentional pooling. First, ParaFormer fuses features and keypoint positions through the concept of amplitude and phase, and integrates self- and cross-attention in a parallel manner which achieves a win-win performance in terms of accuracy and efficiency. Second, with U-Net architecture and proposed attentional pooling, the ParaFormer-U variant significantly reduces computational complexity, and minimize performance loss caused by downsampling. Sufficient experiments on various applications, including homography estimation, pose estimation, and image matching, demonstrate that ParaFormer achieves state-of-the-art performance while maintaining high efficiency. The efficient ParaFormer-U variant achieves comparable performance with less than 50% FLOPs of the existing attention-based models.

Tables are widely used in documents because of their compact and structured representation of information. In particular, in scientific papers, tables can sum up novel discoveries and summarize experimental results, making the research comparable and easily understandable by scholars. Since the layout of tables is highly variable, it would be useful to interpret their content and classify them into categories. This could be helpful to directly extract information from scientific papers, for instance comparing performance of some models given their paper result tables. In this work, we address the classification of tables using a Graph Neural Network, exploiting the table structure for the message passing algorithm in use. We evaluate our model on a subset of the Tab2Know dataset. Since it contains few examples manually annotated, we propose data augmentation techniques directly on the table graph structures. We achieve promising preliminary results, proposing a data augmentation method suitable for graph-based table representation.

Program source code contains complex structure information, which can be represented in structured data forms like trees or graphs. To acquire the structural information in source code, most existing researches use abstract syntax trees (AST). A group of works add additional edges to ASTs to convert source code into graphs and use graph neural networks to learn representations for program graphs. Although these works provide additional control or data flow information to ASTs for downstream tasks, they neglect an important aspect of structure information in AST itself: the different types of nodes and edges. In ASTs, different nodes contain different kinds of information like variables or control flow, and the relation between a node and all its children can also be different. To address the information of node and edge types, we bring the idea of heterogeneous graphs to learning on source code and present a new formula of building heterogeneous program graphs from ASTs with additional type information for nodes and edges. We use the ASDL grammar of programming language to define the node and edge types of program graphs. Then we use heterogeneous graph neural networks to learn on these graphs. We evaluate our approach on two tasks: code comment generation and method naming. Both tasks require reasoning on the semantics of complete code snippets. Experiment results show that our approach outperforms baseline models, including homogeneous graph-based models, showing that leveraging the type information of nodes and edges in program graphs can help in learning program semantics.

Traditional approaches to semantic parsing (SP) work by training individual models for each available parallel dataset of text-meaning pairs. In this paper, we explore the idea of polyglot semantic translation, or learning semantic parsing models that are trained on multiple datasets and natural languages. In particular, we focus on translating text to code signature representations using the software component datasets of Richardson and Kuhn (2017a,b). The advantage of such models is that they can be used for parsing a wide variety of input natural languages and output programming languages, or mixed input languages, using a single unified model. To facilitate modeling of this type, we develop a novel graph-based decoding framework that achieves state-of-the-art performance on the above datasets, and apply this method to two other benchmark SP tasks.

Vehicle motion planning is an essential component of autonomous driving technology. Current rule-based vehicle motion planning methods perform satisfactorily in common scenarios but struggle to generalize to long-tailed situations. Meanwhile, learning-based methods have yet to achieve superior performance over rule-based approaches in large-scale closed-loop scenarios. To address these issues, we propose PlanAgent, the first mid-to-mid planning system based on a Multi-modal Large Language Model (MLLM). MLLM is used as a cognitive agent to introduce human-like knowledge, interpretability, and common-sense reasoning into the closed-loop planning. Specifically, PlanAgent leverages the power of MLLM through three core modules. First, an Environment Transformation module constructs a Bird's Eye View (BEV) map and a lane-graph-based textual description from the environment as inputs. Second, a Reasoning Engine module introduces a hierarchical chain-of-thought from scene understanding to lateral and longitudinal motion instructions, culminating in planner code generation. Last, a Reflection module is integrated to simulate and evaluate the generated planner for reducing MLLM's uncertainty. PlanAgent is endowed with the common-sense reasoning and generalization capability of MLLM, which empowers it to effectively tackle both common and complex long-tailed scenarios. Our proposed PlanAgent is evaluated on the large-scale and challenging nuPlan benchmarks. A comprehensive set of experiments convincingly demonstrates that PlanAgent outperforms the existing state-of-the-art in the closed-loop motion planning task. Codes will be soon released.

We study the implications of the modeling choice to use a graph, instead of a hypergraph, to represent real-world interconnected systems whose constituent relationships are of higher order by nature. Such a modeling choice typically involves an underlying projection process that maps the original hypergraph onto a graph, and is common in graph-based analysis. While hypergraph projection can potentially lead to loss of higher-order relations, there exists very limited studies on the consequences of doing so, as well as its remediation. This work fills this gap by doing two things: (1) we develop analysis based on graph and set theory, showing two ubiquitous patterns of hyperedges that are root to structural information loss in all hypergraph projections; we also quantify the combinatorial impossibility of recovering the lost higher-order structures if no extra help is provided; (2) we still seek to recover the lost higher-order structures in hypergraph projection, and in light of (1)'s findings we propose to relax the problem into a learning-based setting. Under this setting, we develop a learning-based hypergraph reconstruction method based on an important statistic of hyperedge distributions that we find. Our reconstruction method is evaluated on 8 real-world datasets under different settings, and exhibits consistently good performance. We also demonstrate benefits of the reconstructed hypergraphs via use cases of protein rankings and link predictions.

3D vision-language grounding, which focuses on aligning language with the 3D physical environment, stands as a cornerstone in the development of embodied agents. In comparison to recent advancements in the 2D domain, grounding language in 3D scenes faces several significant challenges: (i) the inherent complexity of 3D scenes due to the diverse object configurations, their rich attributes, and intricate relationships; (ii) the scarcity of paired 3D vision-language data to support grounded learning; and (iii) the absence of a unified learning framework to distill knowledge from grounded 3D data. In this work, we aim to address these three major challenges in 3D vision-language by examining the potential of systematically upscaling 3D vision-language learning in indoor environments. We introduce the first million-scale 3D vision-language dataset, SceneVerse, encompassing about 68K 3D indoor scenes and comprising 2.5M vision-language pairs derived from both human annotations and our scalable scene-graph-based generation approach. We demonstrate that this scaling allows for a unified pre-training framework, Grounded Pre-training for Scenes (GPS), for 3D vision-language learning. Through extensive experiments, we showcase the effectiveness of GPS by achieving state-of-the-art performance on all existing 3D visual grounding benchmarks. The vast potential of SceneVerse and GPS is unveiled through zero-shot transfer experiments in the challenging 3D vision-language tasks. Project website: https://scene-verse.github.io .

Text-to-image models are powerful tools for image creation. However, the generation process is akin to a dice roll and makes it difficult to achieve a single image that captures everything a user wants. In this paper, we propose a framework for creating the desired image by compositing it from various parts of generated images, in essence forming a Generative Photomontage. Given a stack of images generated by ControlNet using the same input condition and different seeds, we let users select desired parts from the generated results using a brush stroke interface. We introduce a novel technique that takes in the user's brush strokes, segments the generated images using a graph-based optimization in diffusion feature space, and then composites the segmented regions via a new feature-space blending method. Our method faithfully preserves the user-selected regions while compositing them harmoniously. We demonstrate that our flexible framework can be used for many applications, including generating new appearance combinations, fixing incorrect shapes and artifacts, and improving prompt alignment. We show compelling results for each application and demonstrate that our method outperforms existing image blending methods and various baselines.

Vision-Language Models (VLMs) often generate plausible but incorrect responses to visual queries. However, reliably quantifying the effect of such hallucinations in free-form responses to open-ended queries is challenging as it requires visually verifying each claim within the response. We propose Programmatic VLM Evaluation (PROVE), a new benchmarking paradigm for evaluating VLM responses to open-ended queries. To construct PROVE, we provide a large language model (LLM) with a high-fidelity scene-graph representation constructed from a hyper-detailed image caption, and prompt it to generate diverse question-answer (QA) pairs, as well as programs that can be executed over the scene graph object to verify each QA pair. We thus construct a benchmark of 10.5k challenging but visually grounded QA pairs. Next, to evaluate free-form model responses to queries in PROVE, we propose a programmatic evaluation strategy that measures both the helpfulness and truthfulness of a response within a unified scene graph-based framework. We benchmark the helpfulness-truthfulness trade-offs of a range of VLMs on PROVE, finding that very few are in-fact able to achieve a good balance between the two. Project page: https://prove-explorer.netlify.app/.

Despite the success of the Universal Dependencies (UD) project exemplified by its impressive language breadth, there is still a lack in `within-language breadth': most treebanks focus on standard languages. Even for German, the language with the most annotations in UD, so far no treebank exists for one of its language varieties spoken by over 10M people: Bavarian. To contribute to closing this gap, we present the first multi-dialect Bavarian treebank (MaiBaam) manually annotated with part-of-speech and syntactic dependency information in UD, covering multiple text genres (wiki, fiction, grammar examples, social, non-fiction). We highlight the morphosyntactic differences between the closely-related Bavarian and German and showcase the rich variability of speakers' orthographies. Our corpus includes 15k tokens, covering dialects from all Bavarian-speaking areas spanning three countries. We provide baseline parsing and POS tagging results, which are lower than results obtained on German and vary substantially between different graph-based parsers. To support further research on Bavarian syntax, we make our dataset, language-specific guidelines and code publicly available.

To achieve seamless collaboration between robots and humans in a shared environment, accurately predicting future human movements is essential. Human motion prediction has traditionally been approached as a sequence prediction problem, leveraging historical human motion data to estimate future poses. Beginning with vanilla recurrent networks, the research community has investigated a variety of methods for learning human motion dynamics, encompassing graph-based and generative approaches. Despite these efforts, achieving accurate long-term predictions continues to be a significant challenge. In this regard, we present the Adversarial Motion Transformer (AdvMT), a novel model that integrates a transformer-based motion encoder and a temporal continuity discriminator. This combination effectively captures spatial and temporal dependencies simultaneously within frames. With adversarial training, our method effectively reduces the unwanted artifacts in predictions, thereby ensuring the learning of more realistic and fluid human motions. The evaluation results indicate that AdvMT greatly enhances the accuracy of long-term predictions while also delivering robust short-term predictions

A vector database is used to store high-dimensional data that cannot be characterized by traditional DBMS. Although there are not many articles describing existing or introducing new vector database architectures, the approximate nearest neighbor search problem behind vector databases has been studied for a long time, and considerable related algorithmic articles can be found in the literature. This article attempts to comprehensively review relevant algorithms to provide a general understanding of this booming research area. The basis of our framework categorises these studies by the approach of solving ANNS problem, respectively hash-based, tree-based, graph-based and quantization-based approaches. Then we present an overview of existing challenges for vector databases. Lastly, we sketch how vector databases can be combined with large language models and provide new possibilities.

Code clones are pairs of code snippets that implement similar functionality. Clone detection is a fundamental branch of automatic source code comprehension, having many applications in refactoring recommendation, plagiarism detection, and code summarization. A particularly interesting case of clone detection is the detection of semantic clones, i.e., code snippets that have the same functionality but significantly differ in implementation. A promising approach to detecting semantic clones is contrastive learning (CL), a machine learning paradigm popular in computer vision but not yet commonly adopted for code processing. Our work aims to evaluate the most popular CL algorithms combined with three source code representations on two tasks. The first task is code clone detection, which we evaluate on the POJ-104 dataset containing implementations of 104 algorithms. The second task is plagiarism detection. To evaluate the models on this task, we introduce CodeTransformator, a tool for transforming source code. We use it to create a dataset that mimics plagiarised code based on competitive programming solutions. We trained nine models for both tasks and compared them with six existing approaches, including traditional tools and modern pre-trained neural models. The results of our evaluation show that proposed models perform diversely in each task, however the performance of the graph-based models is generally above the others. Among CL algorithms, SimCLR and SwAV lead to better results, while Moco is the most robust approach. Our code and trained models are available at https://doi.org/10.5281/zenodo.6360627, https://doi.org/10.5281/zenodo.5596345.

Despite tremendous success in many application scenarios, the training and inference costs of using deep learning are also rapidly increasing over time. The lottery ticket hypothesis (LTH) emerges as a promising framework to leverage a special sparse subnetwork (i.e., winning ticket) instead of a full model for both training and inference, that can lower both costs without sacrificing the performance. The main resource bottleneck of LTH is however the extraordinary cost to find the sparse mask of the winning ticket. That makes the found winning ticket become a valuable asset to the owners, highlighting the necessity of protecting its copyright. Our setting adds a new dimension to the recently soaring interest in protecting against the intellectual property (IP) infringement of deep models and verifying their ownerships, since they take owners' massive/unique resources to develop or train. While existing methods explored encrypted weights or predictions, we investigate a unique way to leverage sparse topological information to perform lottery verification, by developing several graph-based signatures that can be embedded as credentials. By further combining trigger set-based methods, our proposal can work in both white-box and black-box verification scenarios. Through extensive experiments, we demonstrate the effectiveness of lottery verification in diverse models (ResNet-20, ResNet-18, ResNet-50) on CIFAR-10 and CIFAR-100. Specifically, our verification is shown to be robust to removal attacks such as model fine-tuning and pruning, as well as several ambiguity attacks. Our codes are available at https://github.com/VITA-Group/NO-stealing-LTH.

The development of autonomous agents increasingly relies on Multimodal Language Models (MLMs) to perform tasks described in natural language with GUI environments, such as websites, desktop computers, or mobile phones. Existing benchmarks for MLM agents in interactive environments are limited by their focus on a single environment, lack of detailed and generalized evaluation methods, and the complexities of constructing tasks and evaluators. To overcome these limitations, we introduce Crab, the first agent benchmark framework designed to support cross-environment tasks, incorporating a graph-based fine-grained evaluation method and an efficient mechanism for task and evaluator construction. Our framework supports multiple devices and can be easily extended to any environment with a Python interface. Leveraging Crab, we developed a cross-platform Crab Benchmark-v0 comprising 100 tasks in computer desktop and mobile phone environments. We evaluated four advanced MLMs using different single and multi-agent system configurations on this benchmark. The experimental results demonstrate that the single agent with GPT-4o achieves the best completion ratio of 35.26%. All framework code, agent code, and task datasets are publicly available at https://github.com/camel-ai/crab.

Generative models trained on internet-scale data are capable of generating novel and realistic texts, images, and videos. A natural next question is whether these models can advance science, for example by generating novel stable materials. Traditionally, models with explicit structures (e.g., graphs) have been used in modeling structural relationships in scientific data (e.g., atoms and bonds in crystals), but generating structures can be difficult to scale to large and complex systems. Another challenge in generating materials is the mismatch between standard generative modeling metrics and downstream applications. For instance, common metrics such as the reconstruction error do not correlate well with the downstream goal of discovering stable materials. In this work, we tackle the scalability challenge by developing a unified crystal representation that can represent any crystal structure (UniMat), followed by training a diffusion probabilistic model on these UniMat representations. Our empirical results suggest that despite the lack of explicit structure modeling, UniMat can generate high fidelity crystal structures from larger and more complex chemical systems, outperforming previous graph-based approaches under various generative modeling metrics. To better connect the generation quality of materials to downstream applications, such as discovering novel stable materials, we propose additional metrics for evaluating generative models of materials, including per-composition formation energy and stability with respect to convex hulls through decomposition energy from Density Function Theory (DFT). Lastly, we show that conditional generation with UniMat can scale to previously established crystal datasets with up to millions of crystals structures, outperforming random structure search (the current leading method for structure discovery) in discovering new stable materials.

Gaussian processes (GPs) are popular nonparametric statistical models for learning unknown functions and quantifying the spatiotemporal uncertainty in data. Recent works have extended GPs to model scalar and vector quantities distributed over non-Euclidean domains, including smooth manifolds appearing in numerous fields such as computer vision, dynamical systems, and neuroscience. However, these approaches assume that the manifold underlying the data is known, limiting their practical utility. We introduce RVGP, a generalisation of GPs for learning vector signals over latent Riemannian manifolds. Our method uses positional encoding with eigenfunctions of the connection Laplacian, associated with the tangent bundle, readily derived from common graph-based approximation of data. We demonstrate that RVGP possesses global regularity over the manifold, which allows it to super-resolve and inpaint vector fields while preserving singularities. Furthermore, we use RVGP to reconstruct high-density neural dynamics derived from low-density EEG recordings in healthy individuals and Alzheimer's patients. We show that vector field singularities are important disease markers and that their reconstruction leads to a comparable classification accuracy of disease states to high-density recordings. Thus, our method overcomes a significant practical limitation in experimental and clinical applications.

Solving math story problems is a complex task for students and NLP models alike, requiring them to understand the world as described in the story and reason over it to compute an answer. Recent years have seen impressive performance on automatically solving these problems with large pre-trained language models and innovative techniques to prompt them. However, it remains unclear if these models possess accurate representations of mathematical concepts. This leads to lack of interpretability and trustworthiness which impedes their usefulness in various applications. In this paper, we consolidate previous work on categorizing and representing math story problems and develop MathWorld, which is a graph-based semantic formalism specific for the domain of math story problems. With MathWorld, we can assign world models to math story problems which represent the situations and actions introduced in the text and their mathematical relationships. We combine math story problems from several existing datasets and annotate a corpus of 1,019 problems and 3,204 logical forms with MathWorld. Using this data, we demonstrate the following use cases of MathWorld: (1) prompting language models with synthetically generated question-answer pairs to probe their reasoning and world modeling abilities, and (2) generating new problems by using the world models as a design space.

Open Source Software (OSS) is forming the spines of technology infrastructures, attracting millions of talents to contribute. Notably, it is challenging and critical to consider both the developers' interests and the semantic features of the project code to recommend appropriate development tasks to OSS developers. In this paper, we formulate the novel problem of code recommendation, whose purpose is to predict the future contribution behaviors of developers given their interaction history, the semantic features of source code, and the hierarchical file structures of projects. Considering the complex interactions among multiple parties within the system, we propose CODER, a novel graph-based code recommendation framework for open source software developers. CODER jointly models microscopic user-code interactions and macroscopic user-project interactions via a heterogeneous graph and further bridges the two levels of information through aggregation on file-structure graphs that reflect the project hierarchy. Moreover, due to the lack of reliable benchmarks, we construct three large-scale datasets to facilitate future research in this direction. Extensive experiments show that our CODER framework achieves superior performance under various experimental settings, including intra-project, cross-project, and cold-start recommendation. We will release all the datasets, code, and utilities for data retrieval upon the acceptance of this work.

Question Answering (QA) systems are increasingly deployed in applications where they support real-world decisions. However, state-of-the-art models rely on deep neural networks, which are difficult to interpret by humans. Inherently interpretable models or post hoc explainability methods can help users to comprehend how a model arrives at its prediction and, if successful, increase their trust in the system. Furthermore, researchers can leverage these insights to develop new methods that are more accurate and less biased. In this paper, we introduce SQuARE v2, the new version of SQuARE, to provide an explainability infrastructure for comparing models based on methods such as saliency maps and graph-based explanations. While saliency maps are useful to inspect the importance of each input token for the model's prediction, graph-based explanations from external Knowledge Graphs enable the users to verify the reasoning behind the model prediction. In addition, we provide multiple adversarial attacks to compare the robustness of QA models. With these explainability methods and adversarial attacks, we aim to ease the research on trustworthy QA models. SQuARE is available on https://square.ukp-lab.de.

We present POTATO, a task- and languageindependent framework for human-in-the-loop (HITL) learning of rule-based text classifiers using graph-based features. POTATO handles any type of directed graph and supports parsing text into Abstract Meaning Representations (AMR), Universal Dependencies (UD), and 4lang semantic graphs. A streamlit-based user interface allows users to build rule systems from graph patterns, provides real-time evaluation based on ground truth data, and suggests rules by ranking graph features using interpretable machine learning models. Users can also provide patterns over graphs using regular expressions, and POTATO can recommend refinements of such rules. POTATO is applied in projects across domains and languages, including classification tasks on German legal text and English social media data. All components of our system are written in Python, can be installed via pip, and are released under an MIT License on GitHub.

In this work we develop a new method, named Sub-graph Permutation Equivariant Networks (SPEN), which provides a framework for building graph neural networks that operate on sub-graphs, while using a base update function that is permutation equivariant, that are equivariant to a novel choice of automorphism group. Message passing neural networks have been shown to be limited in their expressive power and recent approaches to over come this either lack scalability or require structural information to be encoded into the feature space. The general framework presented here overcomes the scalability issues associated with global permutation equivariance by operating more locally on sub-graphs. In addition, through operating on sub-graphs the expressive power of higher-dimensional global permutation equivariant networks is improved; this is due to fact that two non-distinguishable graphs often contain distinguishable sub-graphs. Furthermore, the proposed framework only requires a choice of k-hops for creating ego-network sub-graphs and a choice of representation space to be used for each layer, which makes the method easily applicable across a range of graph based domains. We experimentally validate the method on a range of graph benchmark classification tasks, demonstrating statistically indistinguishable results from the state-of-the-art on six out of seven benchmarks. Further, we demonstrate that the use of local update functions offers a significant improvement in GPU memory over global methods.

Methods for designing organic materials with desired properties have high potential impact across fields such as medicine, renewable energy, petrochemical engineering, and agriculture. However, using generative modeling to design substances with desired properties is difficult because candidate compounds must satisfy multiple constraints, including synthetic accessibility and other metrics that are intuitive to domain experts but challenging to quantify. We propose C5T5, a novel self-supervised pretraining method that enables transformers to make zero-shot select-and-replace edits, altering organic substances towards desired property values. C5T5 operates on IUPAC names -- a standardized molecular representation that intuitively encodes rich structural information for organic chemists but that has been largely ignored by the ML community. Our technique requires no edited molecule pairs to train and only a rough estimate of molecular properties, and it has the potential to model long-range dependencies and symmetric molecular structures more easily than graph-based methods. C5T5 also provides a powerful interface to domain experts: it grants users fine-grained control over the generative process by selecting and replacing IUPAC name fragments, which enables experts to leverage their intuitions about structure-activity relationships. We demonstrate C5T5's effectiveness on four physical properties relevant for drug discovery, showing that it learns successful and chemically intuitive strategies for altering molecules towards desired property values.

The recent success of natural language understanding (NLU) systems has been troubled by results highlighting the failure of these models to generalize in a systematic and robust way. In this work, we introduce a diagnostic benchmark suite, named CLUTRR, to clarify some key issues related to the robustness and systematicity of NLU systems. Motivated by classic work on inductive logic programming, CLUTRR requires that an NLU system infer kinship relations between characters in short stories. Successful performance on this task requires both extracting relationships between entities, as well as inferring the logical rules governing these relationships. CLUTRR allows us to precisely measure a model's ability for systematic generalization by evaluating on held-out combinations of logical rules, and it allows us to evaluate a model's robustness by adding curated noise facts. Our empirical results highlight a substantial performance gap between state-of-the-art NLU models (e.g., BERT and MAC) and a graph neural network model that works directly with symbolic inputs---with the graph-based model exhibiting both stronger generalization and greater robustness.