Daily Papers

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.

The HuggingFace Datasets Hub hosts thousands of datasets. This provides exciting opportunities for language model training and evaluation. However, the datasets for a given type of task are stored with different schemas, and harmonization is harder than it seems (https://xkcd.com/927/). Multi-task training or evaluation requires manual work to fit data into task templates. Various initiatives independently address this problem by releasing the harmonized datasets or harmonization codes to preprocess datasets to the same format. We identify patterns across previous preprocessings, e.g. mapping of column names, and extraction of a specific sub-field from structured data in a column, and propose a structured annotation framework that makes our annotations fully exposed and not buried in unstructured code. We release a dataset annotation framework and dataset annotations for more than 400 English tasks (https://github.com/sileod/tasksource). These annotations provide metadata, like the name of the columns that should be used as input or labels for all datasets, and can save time for future dataset preprocessings, even if they do not use our framework. We fine-tune a multi-task text encoder on all tasksource tasks, outperforming every publicly available text encoder of comparable size on an external evaluation https://hf.co/sileod/deberta-v3-base-tasksource-nli.

This paper introduces a neural model for concept-to-text generation that scales to large, rich domains. We experiment with a new dataset of biographies from Wikipedia that is an order of magnitude larger than existing resources with over 700k samples. The dataset is also vastly more diverse with a 400k vocabulary, compared to a few hundred words for Weathergov or Robocup. Our model builds upon recent work on conditional neural language model for text generation. To deal with the large vocabulary, we extend these models to mix a fixed vocabulary with copy actions that transfer sample-specific words from the input database to the generated output sentence. Our neural model significantly out-performs a classical Kneser-Ney language model adapted to this task by nearly 15 BLEU.

In the U.S. historically, local newspapers drew their content largely from newswires like the Associated Press. Historians argue that newswires played a pivotal role in creating a national identity and shared understanding of the world, but there is no comprehensive archive of the content sent over newswires. We reconstruct such an archive by applying a customized deep learning pipeline to hundreds of terabytes of raw image scans from thousands of local newspapers. The resulting dataset contains 2.7 million unique public domain U.S. newswire articles, written between 1878 and 1977. Locations in these articles are georeferenced, topics are tagged using customized neural topic classification, named entities are recognized, and individuals are disambiguated to Wikipedia using a novel entity disambiguation model. To construct the Newswire dataset, we first recognize newspaper layouts and transcribe around 138 millions structured article texts from raw image scans. We then use a customized neural bi-encoder model to de-duplicate reproduced articles, in the presence of considerable abridgement and noise, quantifying how widely each article was reproduced. A text classifier is used to ensure that we only include newswire articles, which historically are in the public domain. The structured data that accompany the texts provide rich information about the who (disambiguated individuals), what (topics), and where (georeferencing) of the news that millions of Americans read over the course of a century. We also include Library of Congress metadata information about the newspapers that ran the articles on their front pages. The Newswire dataset is useful both for large language modeling - expanding training data beyond what is available from modern web texts - and for studying a diversity of questions in computational linguistics, social science, and the digital humanities.

We present DART, an open domain structured DAta Record to Text generation dataset with over 82k instances (DARTs). Data-to-Text annotations can be a costly process, especially when dealing with tables which are the major source of structured data and contain nontrivial structures. To this end, we propose a procedure of extracting semantic triples from tables that encodes their structures by exploiting the semantic dependencies among table headers and the table title. Our dataset construction framework effectively merged heterogeneous sources from open domain semantic parsing and dialogue-act-based meaning representation tasks by utilizing techniques such as: tree ontology annotation, question-answer pair to declarative sentence conversion, and predicate unification, all with minimum post-editing. We present systematic evaluation on DART as well as new state-of-the-art results on WebNLG 2017 to show that DART (1) poses new challenges to existing data-to-text datasets and (2) facilitates out-of-domain generalization. Our data and code can be found at https://github.com/Yale-LILY/dart.

Relational databases are the de facto standard for storing and querying structured data, and extracting insights from structured data requires advanced analytics. Deep neural networks (DNNs) have achieved super-human prediction performance in particular data types, e.g., images. However, existing DNNs may not produce meaningful results when applied to structured data. The reason is that there are correlations and dependencies across combinations of attribute values in a table, and these do not follow simple additive patterns that can be easily mimicked by a DNN. The number of possible such cross features is combinatorial, making them computationally prohibitive to model. Furthermore, the deployment of learning models in real-world applications has also highlighted the need for interpretability, especially for high-stakes applications, which remains another issue of concern to DNNs. In this paper, we present ARM-Net, an adaptive relation modeling network tailored for structured data, and a lightweight framework ARMOR based on ARM-Net for relational data analytics. The key idea is to model feature interactions with cross features selectively and dynamically, by first transforming the input features into exponential space, and then determining the interaction order and interaction weights adaptively for each cross feature. We propose a novel sparse attention mechanism to dynamically generate the interaction weights given the input tuple, so that we can explicitly model cross features of arbitrary orders with noisy features filtered selectively. Then during model inference, ARM-Net can specify the cross features being used for each prediction for higher accuracy and better interpretability. Our extensive experiments on real-world datasets demonstrate that ARM-Net consistently outperforms existing models and provides more interpretable predictions for data-driven decision making.

HAL (Hyper Articles en Ligne) is the French national publication repository, used by most higher education and research organizations for their open science policy. As a digital library, it is a rich repository of scholarly documents, but its potential for advanced research has been underutilized. We present HALvest, a unique dataset that bridges the gap between citation networks and the full text of papers submitted on HAL. We craft our dataset by filtering HAL for scholarly publications, resulting in approximately 700,000 documents, spanning 34 languages across 13 identified domains, suitable for language model training, and yielding approximately 16.5 billion tokens (with 8 billion in French and 7 billion in English, the most represented languages). We transform the metadata of each paper into a citation network, producing a directed heterogeneous graph. This graph includes uniquely identified authors on HAL, as well as all open submitted papers, and their citations. We provide a baseline for authorship attribution using the dataset, implement a range of state-of-the-art models in graph representation learning for link prediction, and discuss the usefulness of our generated knowledge graph structure.

Electronic Health Records (EHRs) are integral for storing comprehensive patient medical records, combining structured data (e.g., medications) with detailed clinical notes (e.g., physician notes). These elements are essential for straightforward data retrieval and provide deep, contextual insights into patient care. However, they often suffer from discrepancies due to unintuitive EHR system designs and human errors, posing serious risks to patient safety. To address this, we developed EHRCon, a new dataset and task specifically designed to ensure data consistency between structured tables and unstructured notes in EHRs. EHRCon was crafted in collaboration with healthcare professionals using the MIMIC-III EHR dataset, and includes manual annotations of 3,943 entities across 105 clinical notes checked against database entries for consistency. EHRCon has two versions, one using the original MIMIC-III schema, and another using the OMOP CDM schema, in order to increase its applicability and generalizability. Furthermore, leveraging the capabilities of large language models, we introduce CheckEHR, a novel framework for verifying the consistency between clinical notes and database tables. CheckEHR utilizes an eight-stage process and shows promising results in both few-shot and zero-shot settings. The code is available at https://github.com/dustn1259/EHRCon.

We introduce a hierarchical filtering procedure for generative models of sequences on trees, enabling control over the range of positional correlations in the data. Leveraging this controlled setting, we provide evidence that vanilla encoder-only transformer architectures can implement the optimal Belief Propagation algorithm on both root classification and masked language modeling tasks. Correlations at larger distances corresponding to increasing layers of the hierarchy are sequentially included as the network is trained. We analyze how the transformer layers succeed by focusing on attention maps from models trained with varying degrees of filtering. These attention maps show clear evidence for iterative hierarchical reconstruction of correlations, and we can relate these observations to a plausible implementation of the exact inference algorithm for the network sizes considered.

We propose a semi-automatic staging area for efficiently building an accurate database of experimental physical properties of superconductors from literature, called SuperCon2, to enrich the existing manually-built superconductor database SuperCon. Here we report our curation interface (SuperCon2 Interface) and a workflow managing the state transitions of each examined record, to validate the dataset of superconductors from PDF documents collected using Grobid-superconductors in a previous work. This curation workflow allows both automatic and manual operations, the former contains ``anomaly detection'' that scans new data identifying outliers, and a ``training data collector'' mechanism that collects training data examples based on manual corrections. Such training data collection policy is effective in improving the machine-learning models with a reduced number of examples. For manual operations, the interface (SuperCon2 interface) is developed to increase efficiency during manual correction by providing a smart interface and an enhanced PDF document viewer. We show that our interface significantly improves the curation quality by boosting precision and recall as compared with the traditional ``manual correction''. Our semi-automatic approach would provide a solution for achieving a reliable database with text-data mining of scientific documents.

Multimodal large-scale pretraining has shown impressive performance gains for unstructured data including language, image, audio, and video. Yet, the scenario most prominent in real-world applications is the existence of combination of structured (including tabular and time-series) and unstructured data, and this has so far been understudied. Towards this end, we propose LANISTR, a novel attention-based framework to learn from LANguage, Image, and STRuctured data. We introduce a new multimodal fusion module with a similarity-based multimodal masking loss that enables LANISTR to learn cross-modal relations from large-scale multimodal data with missing modalities during training and test time. On two publicly available challenging datasets, MIMIC-IV and Amazon Product Review, LANISTR achieves absolute improvements of 6.47% (AUROC) and up to 17.69% (accuracy), respectively, compared to the state-of-the-art multimodal models while showing superior generalization capabilities.

Efficiently processing and interpreting network data is critical for the operation of increasingly complex networks. Recent advances in Large Language Models (LLM) and Retrieval-Augmented Generation (RAG) techniques have improved data processing in network management. However, existing RAG methods like VectorRAG and GraphRAG struggle with the complexity and implicit nature of semi-structured technical data, leading to inefficiencies in time, cost, and retrieval. This paper introduces FastRAG, a novel RAG approach designed for semi-structured data. FastRAG employs schema learning and script learning to extract and structure data without needing to submit entire data sources to an LLM. It integrates text search with knowledge graph (KG) querying to improve accuracy in retrieving context-rich information. Evaluation results demonstrate that FastRAG provides accurate question answering, while improving up to 90% in time and 85% in cost compared to GraphRAG.

While most conversational agents are grounded on either free-text or structured knowledge, many knowledge corpora consist of hybrid sources. This paper presents the first conversational agent that supports the full generality of hybrid data access for large knowledge corpora, through a language we developed called SUQL (Structured and Unstructured Query Language). Specifically, SUQL extends SQL with free-text primitives (summary and answer), so information retrieval can be composed with structured data accesses arbitrarily in a formal, succinct, precise, and interpretable notation. With SUQL, we propose the first semantic parser, an LLM with in-context learning, that can handle hybrid data sources. Our in-context learning-based approach, when applied to the HybridQA dataset, comes within 8.9% exact match and 7.1% F1 of the SOTA, which was trained on 62K data samples. More significantly, unlike previous approaches, our technique is applicable to large databases and free-text corpora. We introduce a dataset consisting of crowdsourced questions and conversations on Yelp, a large, real restaurant knowledge base with structured and unstructured data. We show that our few-shot conversational agent based on SUQL finds an entity satisfying all user requirements 90.3% of the time, compared to 63.4% for a baseline based on linearization.

Semantic parsing, which converts natural language questions into logic forms, plays a crucial role in reasoning within structured environments. However, existing methods encounter two significant challenges: reliance on extensive manually annotated datasets and limited generalization capability to unseen examples. To tackle these issues, we propose Targeted Synthetic Data Generation (TARGA), a practical framework that dynamically generates high-relevance synthetic data without manual annotation. Starting from the pertinent entities and relations of a given question, we probe for the potential relevant queries through layer-wise expansion and cross-layer combination. Then we generate corresponding natural language questions for these constructed queries to jointly serve as the synthetic demonstrations for in-context learning. Experiments on multiple knowledge base question answering (KBQA) datasets demonstrate that TARGA, using only a 7B-parameter model, substantially outperforms existing non-fine-tuned methods that utilize close-sourced model, achieving notable improvements in F1 scores on GrailQA(+7.7) and KBQA-Agent(+12.2). Furthermore, TARGA also exhibits superior sample efficiency, robustness, and generalization capabilities under non-I.I.D. settings.

In the field of business data analysis, the ability to extract actionable insights from vast and varied datasets is essential for informed decision-making and maintaining a competitive edge. Traditional rule-based systems, while reliable, often fall short when faced with the complexity and dynamism of modern business data. Conversely, Artificial Intelligence (AI) models, particularly Large Language Models (LLMs), offer significant potential in pattern recognition and predictive analytics but can lack the precision necessary for specific business applications. This paper explores the efficacy of hybrid approaches that integrate the robustness of rule-based systems with the adaptive power of LLMs in generating actionable business insights.

In this paper, we study how to improve the zero-shot reasoning ability of large language models~(LLMs) over structured data in a unified way. Inspired by the study on tool augmentation for LLMs, we develop an Iterative Reading-then-Reasoning~(IRR) approach for solving question answering tasks based on structured data, called StructGPT. In our approach, we construct the specialized function to collect relevant evidence from structured data (\ie reading), and let LLMs concentrate the reasoning task based on the collected information (\ie reasoning). Specially, we propose an invoking-linearization-generation procedure to support LLMs in reasoning on the structured data with the help of the external interfaces. By iterating this procedures with provided interfaces, our approach can gradually approach the target answer to a given query. Extensive experiments conducted on three types of structured data demonstrate the effectiveness of our approach, which can significantly boost the performance of ChatGPT and achieve comparable performance against the full-data supervised-tuning baselines. Our codes and data are publicly available at~https://github.com/RUCAIBox/StructGPT.

We introduce AutoGluon-Tabular, an open-source AutoML framework that requires only a single line of Python to train highly accurate machine learning models on an unprocessed tabular dataset such as a CSV file. Unlike existing AutoML frameworks that primarily focus on model/hyperparameter selection, AutoGluon-Tabular succeeds by ensembling multiple models and stacking them in multiple layers. Experiments reveal that our multi-layer combination of many models offers better use of allocated training time than seeking out the best. A second contribution is an extensive evaluation of public and commercial AutoML platforms including TPOT, H2O, AutoWEKA, auto-sklearn, AutoGluon, and Google AutoML Tables. Tests on a suite of 50 classification and regression tasks from Kaggle and the OpenML AutoML Benchmark reveal that AutoGluon is faster, more robust, and much more accurate. We find that AutoGluon often even outperforms the best-in-hindsight combination of all of its competitors. In two popular Kaggle competitions, AutoGluon beat 99% of the participating data scientists after merely 4h of training on the raw data.

Despite the power of Large Language Models (LLMs) like GPT-4, they still struggle with tasks that require generating complex, structured outputs. In this study, we assess the capability of Current LLMs in generating complex structured data and propose a structure-aware fine-tuning approach as a solution to improve this ability. To perform a comprehensive evaluation, we propose Struc-Bench, include five representative LLMs (i.e., GPT-NeoX 20B, GPT-3.5, GPT-4, and Vicuna) and evaluate them on our carefully constructed datasets spanning raw text, HTML, and LaTeX tables. Based on our analysis of current model performance, we identify specific common formatting errors and areas of potential improvement. To address complex formatting requirements, we utilize FormatCoT (Chain-of-Thought) to generate format instructions from target outputs. Our experiments show that our structure-aware fine-tuning method, when applied to LLaMA-7B, significantly improves adherence to natural language constraints, outperforming other evaluated LLMs. Based on these results, we present an ability map of model capabilities from six dimensions (i.e., coverage, formatting, reasoning, comprehension, pragmatics, and hallucination). This map highlights the weaknesses of LLMs in handling complex structured outputs and suggests promising directions for future work. Our code and models can be found at https://github.com/gersteinlab/Struc-Bench.

Multimodal learning is a rapidly growing research field that has revolutionized multitasking and generative modeling in AI. While much of the research has focused on dealing with unstructured data (e.g., language, images, audio, or video), structured data (e.g., tabular data, time series, or signals) has received less attention. However, many industry-relevant use cases involve or can be benefited from both types of data. In this work, we propose a modular, end-to-end multimodal learning method called MAGNUM, which can natively handle both structured and unstructured data. MAGNUM is flexible enough to employ any specialized unimodal module to extract, compress, and fuse information from all available modalities.

Large language models (LLMs) are becoming attractive as few-shot reasoners to solve Natural Language (NL)-related tasks. However, the understanding of their capability to process structured data like tables remains an under-explored area. While tables can be serialized as input for LLMs, there is a lack of comprehensive studies on whether LLMs genuinely comprehend this data. In this paper, we try to understand this by designing a benchmark to evaluate the structural understanding capabilities of LLMs through seven distinct tasks, e.g., cell lookup, row retrieval and size detection. Specially, we perform a series of evaluations on the recent most advanced LLM models, GPT-3.5 and GPT-4 and observe that performance varied with different input choices, including table input format, content order, role prompting, and partition marks. Drawing from the insights gained through the benchmark evaluations, we propose self-augmentation for effective structural prompting, such as critical value / range identification using internal knowledge of LLMs. When combined with carefully chosen input choices, these structural prompting methods lead to promising improvements in LLM performance on a variety of tabular tasks, e.g., TabFact(uparrow2.31%), HybridQA(uparrow2.13%), SQA(uparrow2.72%), Feverous(uparrow0.84%), and ToTTo(uparrow5.68%). We believe that our open source benchmark and proposed prompting methods can serve as a simple yet generic selection for future research. The code and data of this paper will be temporality released at https://anonymous.4open.science/r/StructuredLLM-76F3/README.md and will be replaced with an official one at https://github.com/microsoft/TableProvider later.

Innovation is a major driver of economic and social development, and information about many kinds of innovation is embedded in semi-structured data from patents and patent applications. Although the impact and novelty of innovations expressed in patent data are difficult to measure through traditional means, ML offers a promising set of techniques for evaluating novelty, summarizing contributions, and embedding semantics. In this paper, we introduce the Harvard USPTO Patent Dataset (HUPD), a large-scale, well-structured, and multi-purpose corpus of English-language patent applications filed to the United States Patent and Trademark Office (USPTO) between 2004 and 2018. With more than 4.5 million patent documents, HUPD is two to three times larger than comparable corpora. Unlike previously proposed patent datasets in NLP, HUPD contains the inventor-submitted versions of patent applications--not the final versions of granted patents--thereby allowing us to study patentability at the time of filing using NLP methods for the first time. It is also novel in its inclusion of rich structured metadata alongside the text of patent filings: By providing each application's metadata along with all of its text fields, the dataset enables researchers to perform new sets of NLP tasks that leverage variation in structured covariates. As a case study on the types of research HUPD makes possible, we introduce a new task to the NLP community--namely, binary classification of patent decisions. We additionally show the structured metadata provided in the dataset enables us to conduct explicit studies of concept shifts for this task. Finally, we demonstrate how HUPD can be used for three additional tasks: multi-class classification of patent subject areas, language modeling, and summarization.

Large Language Models (LLMs) pre-trained on massive corpora have exhibited remarkable performance on various NLP tasks. However, applying these models to specific domains still poses significant challenges, such as lack of domain knowledge, limited capacity to leverage domain knowledge and inadequate adaptation to domain-specific data formats. Considering the exorbitant cost of training LLMs from scratch and the scarcity of annotated data within particular domains, in this work, we focus on domain-specific continual pre-training of LLMs using E-commerce domain as an exemplar. Specifically, we explore the impact of continual pre-training on LLMs employing unlabeled general and E-commercial corpora. Furthermore, we design a mixing strategy among different data sources to better leverage E-commercial semi-structured data. We construct multiple tasks to assess LLMs' few-shot In-context Learning ability and their zero-shot performance after instruction tuning in E-commerce domain. Experimental results demonstrate the effectiveness of continual pre-training of E-commerce LLMs and the efficacy of our devised data mixing strategy.

Structured data sources, such as tables, graphs, and databases, are ubiquitous knowledge sources. Despite the demonstrated capabilities of large language models (LLMs) on plain text, their proficiency in interpreting and utilizing structured data remains limited. Our investigation reveals a notable deficiency in LLMs' ability to process structured data, e.g., ChatGPT lags behind state-of-the-art (SoTA) model by an average of 35%. To augment the Structured Knowledge Grounding (SKG) capabilities in LLMs, we have developed a comprehensive instruction tuning dataset comprising 1.1 million examples. Utilizing this dataset, we train a series of models, referred to as StructLM, based on the Code-LLaMA architecture, ranging from 7B to 34B parameters. Our StructLM series surpasses task-specific models on 14 out of 18 evaluated datasets and establishes new SoTA achievements on 7 SKG tasks. Furthermore, StructLM demonstrates exceptional generalization across 6 novel SKG tasks. Contrary to expectations, we observe that scaling model size offers marginal benefits, with StructLM-34B showing only slight improvements over StructLM-7B. This suggests that structured knowledge grounding is still a challenging task and requires more innovative design to push to a new level.

Background: This study aimed to evaluate and compare the performance of classical machine learning models (CMLs) and large language models (LLMs) in predicting mortality associated with COVID-19 by utilizing a high-dimensional tabular dataset. Materials and Methods: We analyzed data from 9,134 COVID-19 patients collected across four hospitals. Seven CML models, including XGBoost and random forest (RF), were trained and evaluated. The structured data was converted into text for zero-shot classification by eight LLMs, including GPT-4 and Mistral-7b. Additionally, Mistral-7b was fine-tuned using the QLoRA approach to enhance its predictive capabilities. Results: Among the CML models, XGBoost and RF achieved the highest accuracy, with F1 scores of 0.87 for internal validation and 0.83 for external validation. In the LLM category, GPT-4 was the top performer with an F1 score of 0.43. Fine-tuning Mistral-7b significantly improved its recall from 1% to 79%, resulting in an F1 score of 0.74, which was stable during external validation. Conclusion: While LLMs show moderate performance in zero-shot classification, fine-tuning can significantly enhance their effectiveness, potentially aligning them closer to CML models. However, CMLs still outperform LLMs in high-dimensional tabular data tasks.

The rise in loosely-structured data available through text, images, and other modalities has called for new ways of querying them. Multimedia Information Retrieval has filled this gap and has witnessed exciting progress in recent years. Tasks such as search and retrieval of extensive multimedia archives have undergone massive performance improvements, driven to a large extent by recent developments in multimodal deep learning. However, methods in this field remain limited in the kinds of queries they support and, in particular, their inability to answer database-like queries. For this reason, inspired by recent work on neural databases, we propose a new framework, which we name Multimodal Neural Databases (MMNDBs). MMNDBs can answer complex database-like queries that involve reasoning over different input modalities, such as text and images, at scale. In this paper, we present the first architecture able to fulfill this set of requirements and test it with several baselines, showing the limitations of currently available models. The results show the potential of these new techniques to process unstructured data coming from different modalities, paving the way for future research in the area. Code to replicate the experiments will be released at https://github.com/GiovanniTRA/MultimodalNeuralDatabases

Document parsing is essential for converting unstructured and semi-structured documents-such as contracts, academic papers, and invoices-into structured, machine-readable data. Document parsing extract reliable structured data from unstructured inputs, providing huge convenience for numerous applications. Especially with recent achievements in Large Language Models, document parsing plays an indispensable role in both knowledge base construction and training data generation. This survey presents a comprehensive review of the current state of document parsing, covering key methodologies, from modular pipeline systems to end-to-end models driven by large vision-language models. Core components such as layout detection, content extraction (including text, tables, and mathematical expressions), and multi-modal data integration are examined in detail. Additionally, this paper discusses the challenges faced by modular document parsing systems and vision-language models in handling complex layouts, integrating multiple modules, and recognizing high-density text. It emphasizes the importance of developing larger and more diverse datasets and outlines future research directions.

Foundation models, particularly those that incorporate Transformer architectures, have demonstrated exceptional performance in domains such as natural language processing and image processing. Adapting these models to structured data, like tables, however, introduces significant challenges. These difficulties are even more pronounced when addressing multi-table data linked via foreign key, which is prevalent in the enterprise realm and crucial for empowering business use cases. Despite its substantial impact, research focusing on such linked business tables within enterprise settings remains a significantly important yet underexplored domain. To address this, we introduce a curated dataset sourced from an Enterprise Resource Planning (ERP) system, featuring extensive linked tables. This dataset is specifically designed to support research endeavors in table representation learning. By providing access to authentic enterprise data, our goal is to potentially enhance the effectiveness and applicability of models for real-world business contexts.

Choropleth maps are a common visual representation for region-specific tabular data and are used in a number of different venues (newspapers, articles, etc). These maps are human-readable but are often challenging to deal with when trying to extract data for screen readers, analyses, or other related tasks. Recent research into Visual-Question Answering (VQA) has studied question answering on human-generated charts (ChartQA), such as bar, line, and pie charts. However, little work has paid attention to understanding maps; general VQA models, and ChartQA models, suffer when asked to perform this task. To facilitate and encourage research in this area, we present MapQA, a large-scale dataset of ~800K question-answer pairs over ~60K map images. Our task tests various levels of map understanding, from surface questions about map styles to complex questions that require reasoning on the underlying data. We present the unique challenges of MapQA that frustrate most strong baseline algorithms designed for ChartQA and general VQA tasks. We also present a novel algorithm, Visual Multi-Output Data Extraction based QA (V-MODEQA) for MapQA. V-MODEQA extracts the underlying structured data from a map image with a multi-output model and then performs reasoning on the extracted data. Our experimental results show that V-MODEQA has better overall performance and robustness on MapQA than the state-of-the-art ChartQA and VQA algorithms by capturing the unique properties in map question answering.

Large Language Models still struggle in challenging scenarios that leverage structured data, complex reasoning, or tool usage. In this paper, we propose Source2Synth: a new method that can be used for teaching LLMs new skills without relying on costly human annotations. Source2Synth takes as input a custom data source and produces synthetic data points with intermediate reasoning steps grounded in real-world sources. Source2Synth improves the dataset quality by discarding low-quality generations based on their answerability. We demonstrate the generality of this approach by applying it to two challenging domains: we test reasoning abilities in multi-hop question answering (MHQA), and tool usage in tabular question answering (TQA). Our method improves performance by 25.51% for TQA on WikiSQL and 22.57% for MHQA on HotPotQA compared to the fine-tuned baselines.

While advances in large language models (LLMs) have greatly improved the quality of synthetic text data in recent years, synthesizing tabular data has received relatively less attention. We address this disparity with Tabby, a simple but powerful post-training modification to the standard Transformer language model architecture, enabling its use for tabular dataset synthesis. Tabby enables the representation of differences across columns using Gated Mixture-of-Experts, with column-specific sets of parameters. Empirically, Tabby results in data quality near or equal to that of real data. By pairing our novel LLM table training technique, Plain, with Tabby, we observe up to a 44% improvement in quality over previous methods. We also show that Tabby extends beyond tables to more general structured data, reaching parity with real data on a nested JSON dataset as well.

Reliably generating structured outputs has become a critical capability for modern language model (LM) applications. Constrained decoding has emerged as the dominant technology across sectors for enforcing structured outputs during generation. Despite its growing adoption, little has been done with the systematic evaluation of the behaviors and performance of constrained decoding. Constrained decoding frameworks have standardized around JSON Schema as a structured data format, with most uses guaranteeing constraint compliance given a schema. However, there is poor understanding of the effectiveness of the methods in practice. We present an evaluation framework to assess constrained decoding approaches across three critical dimensions: efficiency in generating constraint-compliant outputs, coverage of diverse constraint types, and quality of the generated outputs. To facilitate this evaluation, we introduce JSONSchemaBench, a benchmark for constrained decoding comprising 10K real-world JSON schemas that encompass a wide range of constraints with varying complexity. We pair the benchmark with the existing official JSON Schema Test Suite and evaluate six state-of-the-art constrained decoding frameworks, including Guidance, Outlines, Llamacpp, XGrammar, OpenAI, and Gemini. Through extensive experiments, we gain insights into the capabilities and limitations of constrained decoding on structured generation with real-world JSON schemas. Our work provides actionable insights for improving constrained decoding frameworks and structured generation tasks, setting a new standard for evaluating constrained decoding and structured generation. We release JSONSchemaBench at https://github.com/guidance-ai/jsonschemabench

Entity linking is a prominent thread of research focused on structured data creation by linking spans of text to an ontology or knowledge source. We revisit the use of structured prediction for entity linking which classifies each individual input token as an entity, and aggregates the token predictions. Our system, called SpEL (Structured prediction for Entity Linking) is a state-of-the-art entity linking system that uses some new ideas to apply structured prediction to the task of entity linking including: two refined fine-tuning steps; a context sensitive prediction aggregation strategy; reduction of the size of the model's output vocabulary, and; we address a common problem in entity-linking systems where there is a training vs. inference tokenization mismatch. Our experiments show that we can outperform the state-of-the-art on the commonly used AIDA benchmark dataset for entity linking to Wikipedia. Our method is also very compute efficient in terms of number of parameters and speed of inference.

Reasoning about real-life events is a unifying challenge in AI and NLP that has profound utility in a variety of domains, while fallacy in high-stake applications could be catastrophic. Able to work with diverse text in these domains, large language models (LLMs) have proven capable of answering questions and solving problems. However, I show that end-to-end LLMs still systematically fail to reason about complex events, and they lack interpretability due to their black-box nature. To address these issues, I propose three general approaches to use LLMs in conjunction with a structured representation of events. The first is a language-based representation involving relations of sub-events that can be learned by LLMs via fine-tuning. The second is a semi-symbolic representation involving states of entities that can be predicted and leveraged by LLMs via few-shot prompting. The third is a fully symbolic representation that can be predicted by LLMs trained with structured data and be executed by symbolic solvers. On a suite of event reasoning tasks spanning common-sense inference and planning, I show that each approach greatly outperforms end-to-end LLMs with more interpretability. These results suggest manners of synergy between LLMs and structured representations for event reasoning and beyond.

While Deep Learning excels in structured data as encountered in vision and natural language processing, it failed to meet its expectations on tabular data. For tabular data, Support Vector Machines (SVMs), Random Forests, and Gradient Boosting are the best performing techniques with Gradient Boosting in the lead. Recently, we saw a surge of Deep Learning methods that were tailored to tabular data but still underperform compared to Gradient Boosting on small-sized datasets. We suggest "Hopular", a novel Deep Learning architecture for medium- and small-sized datasets, where each layer is equipped with continuous modern Hopfield networks. The modern Hopfield networks use stored data to identify feature-feature, feature-target, and sample-sample dependencies. Hopular's novelty is that every layer can directly access the original input as well as the whole training set via stored data in the Hopfield networks. Therefore, Hopular can step-wise update its current model and the resulting prediction at every layer like standard iterative learning algorithms. In experiments on small-sized tabular datasets with less than 1,000 samples, Hopular surpasses Gradient Boosting, Random Forests, SVMs, and in particular several Deep Learning methods. In experiments on medium-sized tabular data with about 10,000 samples, Hopular outperforms XGBoost, CatBoost, LightGBM and a state-of-the art Deep Learning method designed for tabular data. Thus, Hopular is a strong alternative to these methods on tabular data.

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 problem of verifying whether a textual hypothesis holds based on the given evidence, also known as fact verification, plays an important role in the study of natural language understanding and semantic representation. However, existing studies are mainly restricted to dealing with unstructured evidence (e.g., natural language sentences and documents, news, etc), while verification under structured evidence, such as tables, graphs, and databases, remains under-explored. This paper specifically aims to study the fact verification given semi-structured data as evidence. To this end, we construct a large-scale dataset called TabFact with 16k Wikipedia tables as the evidence for 118k human-annotated natural language statements, which are labeled as either ENTAILED or REFUTED. TabFact is challenging since it involves both soft linguistic reasoning and hard symbolic reasoning. To address these reasoning challenges, we design two different models: Table-BERT and Latent Program Algorithm (LPA). Table-BERT leverages the state-of-the-art pre-trained language model to encode the linearized tables and statements into continuous vectors for verification. LPA parses statements into programs and executes them against the tables to obtain the returned binary value for verification. Both methods achieve similar accuracy but still lag far behind human performance. We also perform a comprehensive analysis to demonstrate great future opportunities. The data and code of the dataset are provided in https://github.com/wenhuchen/Table-Fact-Checking.

Tucker decomposition is a powerful tensor model to handle multi-aspect data. It demonstrates the low-rank property by decomposing the grid-structured data as interactions between a core tensor and a set of object representations (factors). A fundamental assumption of such decomposition is that there are finite objects in each aspect or mode, corresponding to discrete indexes of data entries. However, real-world data is often not naturally posed in this setting. For example, geographic data is represented as continuous indexes of latitude and longitude coordinates, and cannot fit tensor models directly. To generalize Tucker decomposition to such scenarios, we propose Functional Bayesian Tucker Decomposition (FunBaT). We treat the continuous-indexed data as the interaction between the Tucker core and a group of latent functions. We use Gaussian processes (GP) as functional priors to model the latent functions. Then, we convert each GP into a state-space prior by constructing an equivalent stochastic differential equation (SDE) to reduce computational cost. An efficient inference algorithm is developed for scalable posterior approximation based on advanced message-passing techniques. The advantage of our method is shown in both synthetic data and several real-world applications. We release the code of FunBaT at https://github.com/xuangu-fang/Functional-Bayesian-Tucker-Decomposition.

The development and training of deep learning models have become increasingly costly and complex. Consequently, software engineers are adopting pre-trained models (PTMs) for their downstream applications. The dynamics of the PTM supply chain remain largely unexplored, signaling a clear need for structured datasets that document not only the metadata but also the subsequent applications of these models. Without such data, the MSR community cannot comprehensively understand the impact of PTM adoption and reuse. This paper presents the PeaTMOSS dataset, which comprises metadata for 281,638 PTMs and detailed snapshots for all PTMs with over 50 monthly downloads (14,296 PTMs), along with 28,575 open-source software repositories from GitHub that utilize these models. Additionally, the dataset includes 44,337 mappings from 15,129 downstream GitHub repositories to the 2,530 PTMs they use. To enhance the dataset's comprehensiveness, we developed prompts for a large language model to automatically extract model metadata, including the model's training datasets, parameters, and evaluation metrics. Our analysis of this dataset provides the first summary statistics for the PTM supply chain, showing the trend of PTM development and common shortcomings of PTM package documentation. Our example application reveals inconsistencies in software licenses across PTMs and their dependent projects. PeaTMOSS lays the foundation for future research, offering rich opportunities to investigate the PTM supply chain. We outline mining opportunities on PTMs, their downstream usage, and cross-cutting questions.

Extending Large Language Models (LLMs) to advanced applications requires reliable structured output generation. Existing methods which often rely on rigid JSON schemas, can lead to unreliable outputs, diminished reasoning capabilities, and increased computational overhead, limiting LLMs' adaptability for complex tasks. We introduce Meaning Typed Prompting (MTP), a technique for efficient structured output generation that integrates types, meanings, and abstractions, such as variables and classes, into the prompting process. By utilizing expressive type definitions, MTP enhances output clarity and reduces dependence on complex abstractions, simplifying development, and improving implementation efficiency. This enables LLMs to understand relationships and generate structured data more effectively. Empirical evaluations on multiple benchmarks demonstrate that MTP outperforms existing frameworks in accuracy, reliability, consistency, and token efficiency. We present Semantix, a framework that implements MTP, providing practical insights into its application.

Self-supervision is often used for pre-training to foster performance on a downstream task by constructing meaningful representations of samples. Self-supervised learning (SSL) generally involves generating different views of the same sample and thus requires data augmentations that are challenging to construct for tabular data. This constitutes one of the main challenges of self-supervision for structured data. In the present work, we propose a novel augmentation-free SSL method for tabular data. Our approach, T-JEPA, relies on a Joint Embedding Predictive Architecture (JEPA) and is akin to mask reconstruction in the latent space. It involves predicting the latent representation of one subset of features from the latent representation of a different subset within the same sample, thereby learning rich representations without augmentations. We use our method as a pre-training technique and train several deep classifiers on the obtained representation. Our experimental results demonstrate a substantial improvement in both classification and regression tasks, outperforming models trained directly on samples in their original data space. Moreover, T-JEPA enables some methods to consistently outperform or match the performance of traditional methods likes Gradient Boosted Decision Trees. To understand why, we extensively characterize the obtained representations and show that T-JEPA effectively identifies relevant features for downstream tasks without access to the labels. Additionally, we introduce regularization tokens, a novel regularization method critical for training of JEPA-based models on structured data.

The need to analyze graphs is ubiquitous across various fields, from social networks to biological research and recommendation systems. Therefore, enabling the ability of large language models (LLMs) to process graphs is an important step toward more advanced general intelligence. However, current LLM benchmarks on graph analysis require models to directly reason over the prompts describing graph topology, and are thus limited to small graphs with only a few dozens of nodes. In contrast, human experts typically write programs based on popular libraries for task solving, and can thus handle graphs with different scales. To this end, a question naturally arises: can LLMs analyze graphs like professionals? In this paper, we introduce ProGraph, a manually crafted benchmark containing 3 categories of graph tasks. The benchmark expects solutions based on programming instead of directly reasoning over raw inputs. Our findings reveal that the performance of current LLMs is unsatisfactory, with the best model achieving only 36% accuracy. To bridge this gap, we propose LLM4Graph datasets, which include crawled documents and auto-generated codes based on 6 widely used graph libraries. By augmenting closed-source LLMs with document retrieval and fine-tuning open-source ones on the codes, we show 11-32% absolute improvements in their accuracies. Our results underscore that the capabilities of LLMs in handling structured data are still under-explored, and show the effectiveness of LLM4Graph in enhancing LLMs' proficiency of graph analysis. The benchmark, datasets and enhanced open-source models are available at https://github.com/BUPT-GAMMA/ProGraph.

Tables stored in databases and tables which are present in web pages and articles account for a large part of semi-structured data that is available on the internet. It then becomes pertinent to develop a modeling approach with large language models (LLMs) that can be used to solve diverse table tasks such as semantic parsing, question answering as well as classification problems. Traditionally, there existed separate models specialized for each task individually. It raises the question of how far can we go to build a unified model that works well on some table tasks without significant degradation on others. To that end, we attempt at creating a shared modeling approach in the pretraining stage with encoder-decoder style LLMs that can cater to diverse tasks. We evaluate our approach that continually pretrains and finetunes different model families of T5 with data from tables and surrounding context, on these downstream tasks at different model scales. Through multiple ablation studies, we observe that our pretraining with self-supervised objectives can significantly boost the performance of the models on these tasks. As an example of one improvement, we observe that the instruction finetuned public models which come specialized on text question answering (QA) and have been trained on table data still have room for improvement when it comes to table specific QA. Our work is the first attempt at studying the advantages of a unified approach to table specific pretraining when scaled from 770M to 11B sequence to sequence models while also comparing the instruction finetuned variants of the models.

We present Semi-Structured Explanations for COPA (COPA-SSE), a new crowdsourced dataset of 9,747 semi-structured, English common sense explanations for Choice of Plausible Alternatives (COPA) questions. The explanations are formatted as a set of triple-like common sense statements with ConceptNet relations but freely written concepts. This semi-structured format strikes a balance between the high quality but low coverage of structured data and the lower quality but high coverage of free-form crowdsourcing. Each explanation also includes a set of human-given quality ratings. With their familiar format, the explanations are geared towards commonsense reasoners operating on knowledge graphs and serve as a starting point for ongoing work on improving such systems. The dataset is available at https://github.com/a-brassard/copa-sse.

Entity resolution is a widely studied problem with several proposals to match records across relations. Matching textual content is a widespread task in many applications, such as question answering and search. While recent methods achieve promising results for these two tasks, there is no clear solution for the more general problem of matching textual content and structured data. We introduce a framework that supports this new task in an unsupervised setting for any pair of corpora, being relational tables or text documents. Our method builds a fine-grained graph over the content of the corpora and derives word embeddings to represent the objects to match in a low dimensional space. The learned representation enables effective and efficient matching at different granularity, from relational tuples to text sentences and paragraphs. Our flexible framework can exploit pre-trained resources, but it does not depends on their existence and achieves better quality performance in matching content when the vocabulary is domain specific. We also introduce optimizations in the graph creation process with an "expand and compress" approach that first identifies new valid relationships across elements, to improve matching, and then prunes nodes and edges, to reduce the graph size. Experiments on real use cases and public datasets show that our framework produces embeddings that outperform word embeddings and fine-tuned language models both in results' quality and in execution times.

Text-Attributed Graphs (TAGs) augment graph structures with natural language descriptions, facilitating detailed depictions of data and their interconnections across various real-world settings. However, existing TAG datasets predominantly feature textual information only at the nodes, with edges typically represented by mere binary or categorical attributes. This lack of rich textual edge annotations significantly limits the exploration of contextual relationships between entities, hindering deeper insights into graph-structured data. To address this gap, we introduce Textual-Edge Graphs Datasets and Benchmark (TEG-DB), a comprehensive and diverse collection of benchmark textual-edge datasets featuring rich textual descriptions on nodes and edges. The TEG-DB datasets are large-scale and encompass a wide range of domains, from citation networks to social networks. In addition, we conduct extensive benchmark experiments on TEG-DB to assess the extent to which current techniques, including pre-trained language models, graph neural networks, and their combinations, can utilize textual node and edge information. Our goal is to elicit advancements in textual-edge graph research, specifically in developing methodologies that exploit rich textual node and edge descriptions to enhance graph analysis and provide deeper insights into complex real-world networks. The entire TEG-DB project is publicly accessible as an open-source repository on Github, accessible at https://github.com/Zhuofeng-Li/TEG-Benchmark.

The task of annotating data into concise summaries poses a significant challenge across various domains, frequently requiring the allocation of significant time and specialized knowledge by human experts. Despite existing efforts to use large language models for annotation tasks, significant problems such as limited applicability to unlabeled data, the absence of self-supervised methods, and the lack of focus on complex structured data still persist. In this work, we propose a GPT self-supervision annotation method, which embodies a generating-recovering paradigm that leverages the one-shot learning capabilities of the Generative Pretrained Transformer (GPT). The proposed approach comprises a one-shot tuning phase followed by a generation phase. In the one-shot tuning phase, we sample a data from the support set as part of the prompt for GPT to generate a textual summary, which is then used to recover the original data. The alignment score between the recovered and original data serves as a self-supervision navigator to refine the process. In the generation stage, the optimally selected one-shot sample serves as a template in the prompt and is applied to generating summaries from challenging datasets. The annotation performance is evaluated by tuning several human feedback reward networks and by calculating alignment scores between original and recovered data at both sentence and structure levels. Our self-supervised annotation method consistently achieves competitive scores, convincingly demonstrating its robust strength in various data-to-summary annotation tasks.

Machine learning (ML) approaches have demonstrated promising results in a wide range of healthcare applications. Data plays a crucial role in developing ML-based healthcare systems that directly affect people's lives. Many of the ethical issues surrounding the use of ML in healthcare stem from structural inequalities underlying the way we collect, use, and handle data. Developing guidelines to improve documentation practices regarding the creation, use, and maintenance of ML healthcare datasets is therefore of critical importance. In this work, we introduce Healthsheet, a contextualized adaptation of the original datasheet questionnaire ~gebru2018datasheets for health-specific applications. Through a series of semi-structured interviews, we adapt the datasheets for healthcare data documentation. As part of the Healthsheet development process and to understand the obstacles researchers face in creating datasheets, we worked with three publicly-available healthcare datasets as our case studies, each with different types of structured data: Electronic health Records (EHR), clinical trial study data, and smartphone-based performance outcome measures. Our findings from the interviewee study and case studies show 1) that datasheets should be contextualized for healthcare, 2) that despite incentives to adopt accountability practices such as datasheets, there is a lack of consistency in the broader use of these practices 3) how the ML for health community views datasheets and particularly Healthsheets as diagnostic tool to surface the limitations and strength of datasets and 4) the relative importance of different fields in the datasheet to healthcare concerns.

This paper presents an innovative approach to enhancing few-shot learning by integrating data augmentation with model fine-tuning in a framework designed to tackle the challenges posed by small-sample data. Recognizing the critical limitations of traditional machine learning models that require large datasets-especially in fields such as drug discovery, target recognition, and malicious traffic detection-this study proposes a novel strategy that leverages Generative Adversarial Networks (GANs) and advanced optimization techniques to improve model performance with limited data. Specifically, the paper addresses the noise and bias issues introduced by data augmentation methods, contrasting them with model-based approaches, such as fine-tuning and metric learning, which rely heavily on related datasets. By combining Markov Chain Monte Carlo (MCMC) sampling and discriminative model ensemble strategies within a GAN framework, the proposed model adjusts generative and discriminative distributions to simulate a broader range of relevant data. Furthermore, it employs MHLoss and a reparameterized GAN ensemble to enhance stability and accelerate convergence, ultimately leading to improved classification performance on small-sample images and structured datasets. Results confirm that the MhERGAN algorithm developed in this research is highly effective for few-shot learning, offering a practical solution that bridges data scarcity with high-performing model adaptability and generalization.

Artificial Intelligence (AI) research often aims to develop models that can generalize reliably across complex datasets, yet this remains challenging in fields where data is scarce, intricate, or inaccessible. This paper introduces a novel approach that leverages three generative models of varying complexity to synthesize one of the most demanding structured datasets: Malicious Network Traffic. Our approach uniquely transforms numerical data into text, re-framing data generation as a language modeling task, which not only enhances data regularization but also significantly improves generalization and the quality of the synthetic data. Extensive statistical analyses demonstrate that our method surpasses state-of-the-art generative models in producing high-fidelity synthetic data. Additionally, we conduct a comprehensive study on synthetic data applications, effectiveness, and evaluation strategies, offering valuable insights into its role across various domains. Our code and pre-trained models are openly accessible at Github, enabling further exploration and application of our methodology. Index Terms: Data synthesis, machine learning, traffic generation, privacy preserving data, generative models.

We analyze the behaviors of open large language models (LLMs) on the task of data-to-text (D2T) generation, i.e., generating coherent and relevant text from structured data. To avoid the issue of LLM training data contamination with standard benchmarks, we design Quintd - a tool for collecting novel structured data records from public APIs. We find that open LLMs (Llama 2, Mistral, and Zephyr) can generate fluent and coherent texts in zero-shot settings from data in common formats collected with Quintd. However, we show that the semantic accuracy of the outputs is a major issue: both according to human annotators and our reference-free metric based on GPT-4, more than 80% of the outputs of open LLMs contain at least one semantic error. We publicly release the code, data, and model outputs.

Since radiology reports needed for clinical practice and research are written and stored in free-text narrations, extraction of relative information for further analysis is difficult. In these circumstances, natural language processing (NLP) techniques can facilitate automatic information extraction and transformation of free-text formats to structured data. In recent years, deep learning (DL)-based models have been adapted for NLP experiments with promising results. Despite the significant potential of DL models based on artificial neural networks (ANN) and convolutional neural networks (CNN), the models face some limitations to implement in clinical practice. Transformers, another new DL architecture, have been increasingly applied to improve the process. Therefore, in this study, we propose a transformer-based fine-grained named entity recognition (NER) architecture for clinical information extraction. We collected 88 abdominopelvic sonography reports in free-text formats and annotated them based on our developed information schema. The text-to-text transfer transformer model (T5) and Scifive, a pre-trained domain-specific adaptation of the T5 model, were applied for fine-tuning to extract entities and relations and transform the input into a structured format. Our transformer-based model in this study outperformed previously applied approaches such as ANN and CNN models based on ROUGE-1, ROUGE-2, ROUGE-L, and BLEU scores of 0.816, 0.668, 0.528, and 0.743, respectively, while providing an interpretable structured report.

Graph-structured data are the commonly used and have wide application scenarios in the real world. For these diverse applications, the vast variety of learning tasks, graph domains, and complex graph learning procedures present challenges for human experts when designing versatile graph learning approaches. Facing these challenges, large language models (LLMs) offer a potential solution due to the extensive knowledge and the human-like intelligence. This paper proposes a novel conceptual prototype for designing versatile graph learning methods with LLMs, with a particular focus on the "where" and "how" perspectives. From the "where" perspective, we summarize four key graph learning procedures, including task definition, graph data feature engineering, model selection and optimization, deployment and serving. We then explore the application scenarios of LLMs in these procedures across a wider spectrum. In the "how" perspective, we align the abilities of LLMs with the requirements of each procedure. Finally, we point out the promising directions that could better leverage the strength of LLMs towards versatile graph learning methods.

As structured data are often insufficient, labels need to be extracted from free text in electronic health records when developing models for clinical information retrieval and decision support systems. One of the most important contextual properties in clinical text is negation, which indicates the absence of findings. We aimed to improve large scale extraction of labels by comparing three methods for negation detection in Dutch clinical notes. We used the Erasmus Medical Center Dutch Clinical Corpus to compare a rule-based method based on ContextD, a biLSTM model using MedCAT and (finetuned) RoBERTa-based models. We found that both the biLSTM and RoBERTa models consistently outperform the rule-based model in terms of F1 score, precision and recall. In addition, we systematically categorized the classification errors for each model, which can be used to further improve model performance in particular applications. Combining the three models naively was not beneficial in terms of performance. We conclude that the biLSTM and RoBERTa-based models in particular are highly accurate accurate in detecting clinical negations, but that ultimately all three approaches can be viable depending on the use case at hand.

We introduce Qwen2.5-VL, the latest flagship model of Qwen vision-language series, which demonstrates significant advancements in both foundational capabilities and innovative functionalities. Qwen2.5-VL achieves a major leap forward in understanding and interacting with the world through enhanced visual recognition, precise object localization, robust document parsing, and long-video comprehension. A standout feature of Qwen2.5-VL is its ability to localize objects using bounding boxes or points accurately. It provides robust structured data extraction from invoices, forms, and tables, as well as detailed analysis of charts, diagrams, and layouts. To handle complex inputs, Qwen2.5-VL introduces dynamic resolution processing and absolute time encoding, enabling it to process images of varying sizes and videos of extended durations (up to hours) with second-level event localization. This allows the model to natively perceive spatial scales and temporal dynamics without relying on traditional normalization techniques. By training a native dynamic-resolution Vision Transformer (ViT) from scratch and incorporating Window Attention, we reduce computational overhead while maintaining native resolution. As a result, Qwen2.5-VL excels not only in static image and document understanding but also as an interactive visual agent capable of reasoning, tool usage, and task execution in real-world scenarios such as operating computers and mobile devices. Qwen2.5-VL is available in three sizes, addressing diverse use cases from edge AI to high-performance computing. The flagship Qwen2.5-VL-72B model matches state-of-the-art models like GPT-4o and Claude 3.5 Sonnet, particularly excelling in document and diagram understanding. Additionally, Qwen2.5-VL maintains robust linguistic performance, preserving the core language competencies of the Qwen2.5 LLM.

Paywalls, licenses and copyright rules often restrict the broad dissemination and reuse of scientific knowledge. We take the position that it is both legally and technically feasible to extract the scientific knowledge in scholarly texts. Current methods, like text embeddings, fail to reliably preserve factual content, and simple paraphrasing may not be legally sound. We urge the community to adopt a new idea: convert scholarly documents into Knowledge Units using LLMs. These units use structured data capturing entities, attributes and relationships without stylistic content. We provide evidence that Knowledge Units: (1) form a legally defensible framework for sharing knowledge from copyrighted research texts, based on legal analyses of German copyright law and U.S. Fair Use doctrine, and (2) preserve most (~95%) factual knowledge from original text, measured by MCQ performance on facts from the original copyrighted text across four research domains. Freeing scientific knowledge from copyright promises transformative benefits for scientific research and education by allowing language models to reuse important facts from copyrighted text. To support this, we share open-source tools for converting research documents into Knowledge Units. Overall, our work posits the feasibility of democratizing access to scientific knowledge while respecting copyright.

The successes of foundation models such as ChatGPT and AlphaFold have spurred significant interest in building similar models for electronic medical records (EMRs) to improve patient care and hospital operations. However, recent hype has obscured critical gaps in our understanding of these models' capabilities. We review over 80 foundation models trained on non-imaging EMR data (i.e. clinical text and/or structured data) and create a taxonomy delineating their architectures, training data, and potential use cases. We find that most models are trained on small, narrowly-scoped clinical datasets (e.g. MIMIC-III) or broad, public biomedical corpora (e.g. PubMed) and are evaluated on tasks that do not provide meaningful insights on their usefulness to health systems. In light of these findings, we propose an improved evaluation framework for measuring the benefits of clinical foundation models that is more closely grounded to metrics that matter in healthcare.

Predicting disease trajectories from electronic health records (EHRs) is a complex task due to major challenges such as data non-stationarity, high granularity of medical codes, and integration of multimodal data. EHRs contain both structured data, such as diagnostic codes, and unstructured data, such as clinical notes, which hold essential information often overlooked. Current models, primarily based on structured data, struggle to capture the complete medical context of patients, resulting in a loss of valuable information. To address this issue, we propose an approach that integrates unstructured clinical notes into transformer-based deep learning models for sequential disease prediction. This integration enriches the representation of patients' medical histories, thereby improving the accuracy of diagnosis predictions. Experiments on MIMIC-IV datasets demonstrate that the proposed approach outperforms traditional models relying solely on structured data.

Large Language Models (LLMs) stand at the forefront of a number of Natural Language Processing (NLP) tasks. Despite the widespread adoption of LLMs in NLP, much of their potential in broader fields remains largely unexplored, and significant limitations persist in their design and implementation. Notably, LLMs struggle with structured data, such as graphs, and often falter when tasked with answering domain-specific questions requiring deep expertise, such as those in biology and chemistry. In this paper, we explore a fundamental question: Can LLMs effectively handle molecule prediction tasks? Rather than pursuing top-tier performance, our goal is to assess how LLMs can contribute to diverse molecule tasks. We identify several classification and regression prediction tasks across six standard molecule datasets. Subsequently, we carefully design a set of prompts to query LLMs on these tasks and compare their performance with existing Machine Learning (ML) models, which include text-based models and those specifically designed for analysing the geometric structure of molecules. Our investigation reveals several key insights: Firstly, LLMs generally lag behind ML models in achieving competitive performance on molecule tasks, particularly when compared to models adept at capturing the geometric structure of molecules, highlighting the constrained ability of LLMs to comprehend graph data. Secondly, LLMs show promise in enhancing the performance of ML models when used collaboratively. Lastly, we engage in a discourse regarding the challenges and promising avenues to harness LLMs for molecule prediction tasks. The code and models are available at https://github.com/zhiqiangzhongddu/LLMaMol.

Generating graph-structured data requires learning the underlying distribution of graphs. Yet, this is a challenging problem, and the previous graph generative methods either fail to capture the permutation-invariance property of graphs or cannot sufficiently model the complex dependency between nodes and edges, which is crucial for generating real-world graphs such as molecules. To overcome such limitations, we propose a novel score-based generative model for graphs with a continuous-time framework. Specifically, we propose a new graph diffusion process that models the joint distribution of the nodes and edges through a system of stochastic differential equations (SDEs). Then, we derive novel score matching objectives tailored for the proposed diffusion process to estimate the gradient of the joint log-density with respect to each component, and introduce a new solver for the system of SDEs to efficiently sample from the reverse diffusion process. We validate our graph generation method on diverse datasets, on which it either achieves significantly superior or competitive performance to the baselines. Further analysis shows that our method is able to generate molecules that lie close to the training distribution yet do not violate the chemical valency rule, demonstrating the effectiveness of the system of SDEs in modeling the node-edge relationships. Our code is available at https://github.com/harryjo97/GDSS.

The impact of person-job fit on job satisfaction and performance is widely acknowledged, which highlights the importance of providing workers with next steps at the right time in their career. This task of predicting the next step in a career is known as career path prediction, and has diverse applications such as turnover prevention and internal job mobility. Existing methods to career path prediction rely on large amounts of private career history data to model the interactions between job titles and companies. We propose leveraging the unexplored textual descriptions that are part of work experience sections in resumes. We introduce a structured dataset of 2,164 anonymized career histories, annotated with ESCO occupation labels. Based on this dataset, we present a novel representation learning approach, CareerBERT, specifically designed for work history data. We develop a skill-based model and a text-based model for career path prediction, which achieve 35.24% and 39.61% recall@10 respectively on our dataset. Finally, we show that both approaches are complementary as a hybrid approach achieves the strongest result with 43.01% recall@10.

Modern sequence models (e.g., Transformers, linear RNNs, etc.) emerged as dominant backbones of recent deep learning frameworks, mainly due to their efficiency, representational power, and/or ability to capture long-range dependencies. Adopting these sequence models for graph-structured data has recently gained popularity as the alternative to Message Passing Neural Networks (MPNNs). There is, however, a lack of a common foundation about what constitutes a good graph sequence model, and a mathematical description of the benefits and deficiencies in adopting different sequence models for learning on graphs. To this end, we first present Graph Sequence Model (GSM), a unifying framework for adopting sequence models for graphs, consisting of three main steps: (1) Tokenization, which translates the graph into a set of sequences; (2) Local Encoding, which encodes local neighborhoods around each node; and (3) Global Encoding, which employs a scalable sequence model to capture long-range dependencies within the sequences. This framework allows us to understand, evaluate, and compare the power of different sequence model backbones in graph tasks. Our theoretical evaluations of the representation power of Transformers and modern recurrent models through the lens of global and local graph tasks show that there are both negative and positive sides for both types of models. Building on this observation, we present GSM++, a fast hybrid model that uses the Hierarchical Affinity Clustering (HAC) algorithm to tokenize the graph into hierarchical sequences, and then employs a hybrid architecture of Transformer to encode these sequences. Our theoretical and experimental results support the design of GSM++, showing that GSM++ outperforms baselines in most benchmark evaluations.

The widespread adoption of REST APIs, coupled with their growing complexity and size, has led to the need for automated REST API testing tools. Current testing tools focus on the structured data in REST API specifications but often neglect valuable insights available in unstructured natural-language descriptions in the specifications, which leads to suboptimal test coverage. Recently, to address this gap, researchers have developed techniques that extract rules from these human-readable descriptions and query knowledge bases to derive meaningful input values. However, these techniques are limited in the types of rules they can extract and can produce inaccurate results. This paper presents RESTGPT, an innovative approach that leverages the power and intrinsic context-awareness of Large Language Models (LLMs) to improve REST API testing. RESTGPT takes as input an API specification, extracts machine-interpretable rules, and generates example parameter values from natural-language descriptions in the specification. It then augments the original specification with these rules and values. Our preliminary evaluation suggests that RESTGPT outperforms existing techniques in both rule extraction and value generation. Given these encouraging results, we outline future research directions for leveraging LLMs more broadly for improving REST API testing.

Large language models (LLMs) such as GPT-4 have emerged as frontrunners, showcasing unparalleled prowess in diverse applications, including answering queries, code generation, and more. Parallelly, graph-structured data, an intrinsic data type, is pervasive in real-world scenarios. Merging the capabilities of LLMs with graph-structured data has been a topic of keen interest. This paper bifurcates such integrations into two predominant categories. The first leverages LLMs for graph learning, where LLMs can not only augment existing graph algorithms but also stand as prediction models for various graph tasks. Conversely, the second category underscores the pivotal role of graphs in advancing LLMs. Mirroring human cognition, we solve complex tasks by adopting graphs in either reasoning or collaboration. Integrating with such structures can significantly boost the performance of LLMs in various complicated tasks. We also discuss and propose open questions for integrating LLMs with graph-structured data for the future direction of the field.

Generating natural language text from graph-structured data is essential for conversational information seeking. Semantic triples derived from knowledge graphs can serve as a valuable source for grounding responses from conversational agents by providing a factual basis for the information they communicate. This is especially relevant in the context of large language models, which offer great potential for conversational interaction but are prone to hallucinating, omitting, or producing conflicting information. In this study, we conduct an empirical analysis of conversational large language models in generating natural language text from semantic triples. We compare four large language models of varying sizes with different prompting techniques. Through a series of benchmark experiments on the WebNLG dataset, we analyze the models' performance and identify the most common issues in the generated predictions. Our findings show that the capabilities of large language models in triple verbalization can be significantly improved through few-shot prompting, post-processing, and efficient fine-tuning techniques, particularly for smaller models that exhibit lower zero-shot performance.

Machine-based prediction of real-world events is garnering attention due to its potential for informed decision-making. Whereas traditional forecasting predominantly hinges on structured data like time-series, recent breakthroughs in language models enable predictions using unstructured text. In particular, (Zou et al., 2022) unveils AutoCast, a new benchmark that employs news articles for answering forecasting queries. Nevertheless, existing methods still trail behind human performance. The cornerstone of accurate forecasting, we argue, lies in identifying a concise, yet rich subset of news snippets from a vast corpus. With this motivation, we introduce AutoCast++, a zero-shot ranking-based context retrieval system, tailored to sift through expansive news document collections for event forecasting. Our approach first re-ranks articles based on zero-shot question-passage relevance, honing in on semantically pertinent news. Following this, the chosen articles are subjected to zero-shot summarization to attain succinct context. Leveraging a pre-trained language model, we conduct both the relevance evaluation and article summarization without needing domain-specific training. Notably, recent articles can sometimes be at odds with preceding ones due to new facts or unanticipated incidents, leading to fluctuating temporal dynamics. To tackle this, our re-ranking mechanism gives preference to more recent articles, and we further regularize the multi-passage representation learning to align with human forecaster responses made on different dates. Empirical results underscore marked improvements across multiple metrics, improving the performance for multiple-choice questions (MCQ) by 48% and true/false (TF) questions by up to 8%.

Enterprises often own large collections of structured data in the form of large databases or an enterprise data lake. Such data collections come with limited metadata and strict access policies that could limit access to the data contents and, therefore, limit the application of classic retrieval and analysis solutions. As a result, there is a need for solutions that can effectively utilize the available metadata. In this paper, we study the problem of matching table metadata to a business glossary containing data labels and descriptions. The resulting matching enables the use of an available or curated business glossary for retrieval and analysis without or before requesting access to the data contents. One solution to this problem is to use manually-defined rules or similarity measures on column names and glossary descriptions (or their vector embeddings) to find the closest match. However, such approaches need to be tuned through manual labeling and cannot handle many business glossaries that contain a combination of simple as well as complex and long descriptions. In this work, we leverage the power of large language models (LLMs) to design generic matching methods that do not require manual tuning and can identify complex relations between column names and glossaries. We propose methods that utilize LLMs in two ways: a) by generating additional context for column names that can aid with matching b) by using LLMs to directly infer if there is a relation between column names and glossary descriptions. Our preliminary experimental results show the effectiveness of our proposed methods.

Understanding visually-rich business documents to extract structured data and automate business workflows has been receiving attention both in academia and industry. Although recent multi-modal language models have achieved impressive results, we find that existing benchmarks do not reflect the complexity of real documents seen in industry. In this work, we identify the desiderata for a more comprehensive benchmark and propose one we call Visually Rich Document Understanding (VRDU). VRDU contains two datasets that represent several challenges: rich schema including diverse data types as well as hierarchical entities, complex templates including tables and multi-column layouts, and diversity of different layouts (templates) within a single document type. We design few-shot and conventional experiment settings along with a carefully designed matching algorithm to evaluate extraction results. We report the performance of strong baselines and offer three observations: (1) generalizing to new document templates is still very challenging, (2) few-shot performance has a lot of headroom, and (3) models struggle with hierarchical fields such as line-items in an invoice. We plan to open source the benchmark and the evaluation toolkit. We hope this helps the community make progress on these challenging tasks in extracting structured data from visually rich documents.

This presentation focuses on the importance of web crawling and page ranking algorithms in dealing with the massive amount of data present on the World Wide Web. As the web continues to grow exponentially, efficient search and retrieval methods become crucial. Web crawling is a process that converts unstructured data into structured data, enabling effective information retrieval. Additionally, page ranking algorithms play a significant role in assessing the quality and popularity of web pages. The presentation explores the background of these algorithms and evaluates five different crawling algorithms: Shark Search, Priority-Based Queue, Naive Bayes, Breadth-First, and Depth-First. The goal is to identify the most effective algorithm for crawling web pages. By understanding these algorithms, we can enhance our ability to navigate the web and extract valuable information efficiently.

Graphical User Interface (GUI) agents are designed to automate complex tasks on digital devices, such as smartphones and desktops. Most existing GUI agents interact with the environment through extracted structured data, which can be notably lengthy (e.g., HTML) and occasionally inaccessible (e.g., on desktops). To alleviate this issue, we propose a visual GUI agent -- SeeClick, which only relies on screenshots for task automation. In our preliminary study, we have discovered a key challenge in developing visual GUI agents: GUI grounding -- the capacity to accurately locate screen elements based on instructions. To tackle this challenge, we propose to enhance SeeClick with GUI grounding pre-training and devise a method to automate the curation of GUI grounding data. Along with the efforts above, we have also created ScreenSpot, the first realistic GUI grounding dataset that encompasses mobile, desktop, and web environments. After pre-training, SeeClick demonstrates significant improvement in ScreenSpot over various baselines. Moreover, comprehensive evaluations on three widely used benchmarks consistently support our finding that advancements in GUI grounding directly correlate with enhanced performance in downstream GUI agent tasks. The model, data and code are available at https://github.com/njucckevin/SeeClick.

This study presents an innovative enhancement to retrieval-augmented generation (RAG) systems by seamlessly integrating fine-tuned large language models (LLMs) with vector databases. This integration capitalizes on the combined strengths of structured data retrieval and the nuanced comprehension provided by advanced LLMs. Central to our approach are the LoRA and QLoRA methodologies, which stand at the forefront of model refinement through parameter-efficient fine-tuning and memory optimization. A novel feature of our research is the incorporation of user feedback directly into the training process, ensuring the model's continuous adaptation to user expectations and thus, improving its performance and applicability. Additionally, we introduce a Quantized Influence Measure (QIM) as an innovative "AI Judge" mechanism to enhance the precision of result selection, further refining the system's accuracy. Accompanied by an executive diagram and a detailed algorithm for fine-tuning QLoRA, our work provides a comprehensive framework for implementing these advancements within chatbot technologies. This research contributes significant insights into LLM optimization for specific uses and heralds new directions for further development in retrieval-augmented models. Through extensive experimentation and analysis, our findings lay a robust foundation for future advancements in chatbot technology and retrieval systems, marking a significant step forward in the creation of more sophisticated, precise, and user-centric conversational AI systems.

Graph neural networks (GNNs) learn the representation of graph-structured data, and their expressiveness can be further enhanced by inferring node relations for propagation. Attention-based GNNs infer neighbor importance to manipulate the weight of its propagation. Despite their popularity, the discussion on deep graph attention and its unique challenges has been limited. In this work, we investigate some problematic phenomena related to deep graph attention, including vulnerability to over-smoothed features and smooth cumulative attention. Through theoretical and empirical analyses, we show that various attention-based GNNs suffer from these problems. Motivated by our findings, we propose AEROGNN, a novel GNN architecture designed for deep graph attention. AERO-GNN provably mitigates the proposed problems of deep graph attention, which is further empirically demonstrated with (a) its adaptive and less smooth attention functions and (b) higher performance at deep layers (up to 64). On 9 out of 12 node classification benchmarks, AERO-GNN outperforms the baseline GNNs, highlighting the advantages of deep graph attention. Our code is available at https://github.com/syleeheal/AERO-GNN.

Recent advances in Graph Neural Networks (GNNs) have revolutionized graph-structured data modeling, yet traditional GNNs struggle with complex heterogeneous structures prevalent in real-world scenarios. Despite progress in handling heterogeneous interactions, two fundamental challenges persist: noisy data significantly compromising embedding quality and learning performance, and existing methods' inability to capture intricate semantic transitions among heterogeneous relations, which impacts downstream predictions. To address these fundamental issues, we present the Heterogeneous Graph Diffusion Model (DiffGraph), a pioneering framework that introduces an innovative cross-view denoising strategy. This advanced approach transforms auxiliary heterogeneous data into target semantic spaces, enabling precise distillation of task-relevant information. At its core, DiffGraph features a sophisticated latent heterogeneous graph diffusion mechanism, implementing a novel forward and backward diffusion process for superior noise management. This methodology achieves simultaneous heterogeneous graph denoising and cross-type transition, while significantly simplifying graph generation through its latent-space diffusion capabilities. Through rigorous experimental validation on both public and industrial datasets, we demonstrate that DiffGraph consistently surpasses existing methods in link prediction and node classification tasks, establishing new benchmarks for robustness and efficiency in heterogeneous graph processing. The model implementation is publicly available at: https://github.com/HKUDS/DiffGraph.

Real-world multi-modal problems are rarely solved by a single machine learning model, and often require multi-step computational plans that involve stitching several models. Tool-augmented LLMs hold tremendous promise for automating the generation of such computational plans. However, the lack of standardized benchmarks for evaluating LLMs as planners for multi-step multi-modal tasks has prevented a systematic study of planner design decisions. Should LLMs generate a full plan in a single shot or step-by-step? Should they invoke tools directly with Python code or through structured data formats like JSON? Does feedback improve planning? To answer these questions and more, we introduce m&m's: a benchmark containing 4K+ multi-step multi-modal tasks involving 33 tools that include multi-modal models, (free) public APIs, and image processing modules. For each of these task queries, we provide automatically generated plans using this realistic toolset. We further provide a high-quality subset of 1,565 task plans that are human-verified and correctly executable. With m&m's, we evaluate 6 popular LLMs with 2 planning strategies (multi-step vs. step-by-step planning), 2 plan formats (JSON vs. code), and 3 types of feedback (parsing/verification/execution). Finally, we summarize takeaways from our extensive experiments. Our dataset and code are available on HuggingFace (https://huggingface.co/datasets/zixianma/mnms) and Github (https://github.com/RAIVNLab/mnms).

E-commerce search and recommendation usually operate on structured data such as product catalogs and taxonomies. However, creating better search and recommendation systems often requires a large variety of unstructured data including customer reviews and articles on the web. Traditionally, the solution has always been converting unstructured data into structured data through information extraction, and conducting search over the structured data. However, this is a costly approach that often has low quality. In this paper, we envision a solution that does entirely the opposite. Instead of converting unstructured data (web pages, customer reviews, etc) to structured data, we instead convert structured data (product inventory, catalogs, taxonomies, etc) into textual data, which can be easily integrated into the text corpus that trains LLMs. Then, search and recommendation can be performed through a Q/A mechanism through an LLM instead of using traditional information retrieval methods over structured data.

Graph Neural Networks (GNNs) are neural models that leverage the dependency structure in graphical data via message passing among the graph nodes. GNNs have emerged as pivotal architectures in analyzing graph-structured data, and their expansive application in sensitive domains requires a comprehensive understanding of their decision-making processes -- necessitating a framework for GNN explainability. An explanation function for GNNs takes a pre-trained GNN along with a graph as input, to produce a `sufficient statistic' subgraph with respect to the graph label. A main challenge in studying GNN explainability is to provide fidelity measures that evaluate the performance of these explanation functions. This paper studies this foundational challenge, spotlighting the inherent limitations of prevailing fidelity metrics, including Fid_+, Fid_-, and Fid_Delta. Specifically, a formal, information-theoretic definition of explainability is introduced and it is shown that existing metrics often fail to align with this definition across various statistical scenarios. The reason is due to potential distribution shifts when subgraphs are removed in computing these fidelity measures. Subsequently, a robust class of fidelity measures are introduced, and it is shown analytically that they are resilient to distribution shift issues and are applicable in a wide range of scenarios. Extensive empirical analysis on both synthetic and real datasets are provided to illustrate that the proposed metrics are more coherent with gold standard metrics. The source code is available at https://trustai4s-lab.github.io/fidelity.

Graph neural networks aim to learn representations for graph-structured data and show impressive performance, particularly in node classification. Recently, many methods have studied the representations of GNNs from the perspective of optimization goals and spectral graph theory. However, the feature space that dominates representation learning has not been systematically studied in graph neural networks. In this paper, we propose to fill this gap by analyzing the feature space of both spatial and spectral models. We decompose graph neural networks into determined feature spaces and trainable weights, providing the convenience of studying the feature space explicitly using matrix space analysis. In particular, we theoretically find that the feature space tends to be linearly correlated due to repeated aggregations. Motivated by these findings, we propose 1) feature subspaces flattening and 2) structural principal components to expand the feature space. Extensive experiments verify the effectiveness of our proposed more comprehensive feature space, with comparable inference time to the baseline, and demonstrate its efficient convergence capability.

Graph Neural Networks (GNNs) are a popular technique for modelling graph-structured data and computing node-level representations via aggregation of information from the neighborhood of each node. However, this aggregation implies an increased risk of revealing sensitive information, as a node can participate in the inference for multiple nodes. This implies that standard privacy-preserving machine learning techniques, such as differentially private stochastic gradient descent (DP-SGD) - which are designed for situations where each data point participates in the inference for one point only - either do not apply, or lead to inaccurate models. In this work, we formally define the problem of learning GNN parameters with node-level privacy, and provide an algorithmic solution with a strong differential privacy guarantee. We employ a careful sensitivity analysis and provide a non-trivial extension of the privacy-by-amplification technique to the GNN setting. An empirical evaluation on standard benchmark datasets demonstrates that our method is indeed able to learn accurate privacy-preserving GNNs which outperform both private and non-private methods that completely ignore graph information.

As the use of interactive machines grow, the task of Emotion Recognition in Conversation (ERC) became more important. If the machine-generated sentences reflect emotion, more human-like sympathetic conversations are possible. Since emotion recognition in conversation is inaccurate if the previous utterances are not taken into account, many studies reflect the dialogue context to improve the performances. Many recent approaches show performance improvement by combining knowledge into modules learned from external structured data. However, structured data is difficult to access in non-English languages, making it difficult to extend to other languages. Therefore, we extract the pre-trained memory using the pre-trained language model as an extractor of external knowledge. We introduce CoMPM, which combines the speaker's pre-trained memory with the context model, and find that the pre-trained memory significantly improves the performance of the context model. CoMPM achieves the first or second performance on all data and is state-of-the-art among systems that do not leverage structured data. In addition, our method shows that it can be extended to other languages because structured knowledge is not required, unlike previous methods. Our code is available on github (https://github.com/rungjoo/CoMPM).

Graph neural networks have recently achieved remarkable success in representing graph-structured data, with rapid progress in both the node embedding and graph pooling methods. Yet, they mostly focus on capturing information from the nodes considering their connectivity, and not much work has been done in representing the edges, which are essential components of a graph. However, for tasks such as graph reconstruction and generation, as well as graph classification tasks for which the edges are important for discrimination, accurately representing edges of a given graph is crucial to the success of the graph representation learning. To this end, we propose a novel edge representation learning framework based on Dual Hypergraph Transformation (DHT), which transforms the edges of a graph into the nodes of a hypergraph. This dual hypergraph construction allows us to apply message-passing techniques for node representations to edges. After obtaining edge representations from the hypergraphs, we then cluster or drop edges to obtain holistic graph-level edge representations. We validate our edge representation learning method with hypergraphs on diverse graph datasets for graph representation and generation performance, on which our method largely outperforms existing graph representation learning methods. Moreover, our edge representation learning and pooling method also largely outperforms state-of-the-art graph pooling methods on graph classification, not only because of its accurate edge representation learning, but also due to its lossless compression of the nodes and removal of irrelevant edges for effective message-passing.

Clinical notes contain rich data, which is unexploited in predictive modeling compared to structured data. In this work, we developed a new text representation Clinical XLNet for clinical notes which also leverages the temporal information of the sequence of the notes. We evaluated our models on prolonged mechanical ventilation prediction problem and our experiments demonstrated that Clinical XLNet outperforms the best baselines consistently.

Clinical notes contain information about patients that goes beyond structured data like lab values and medications. However, clinical notes have been underused relative to structured data, because notes are high-dimensional and sparse. This work develops and evaluates representations of clinical notes using bidirectional transformers (ClinicalBERT). ClinicalBERT uncovers high-quality relationships between medical concepts as judged by humans. ClinicalBert outperforms baselines on 30-day hospital readmission prediction using both discharge summaries and the first few days of notes in the intensive care unit. Code and model parameters are available.

Employing a machine learning approach we predict, up to 24 hours prior, a diagnosis of severe sepsis. Strongly predictive models are possible that use only text reports from the Electronic Health Record (EHR), and omit structured numerical data. Unstructured text alone gives slightly better performance than structured data alone, and the combination further improves performance. We also discuss advantages of using unstructured EHR text for modeling, as compared to structured EHR data.

We introduce the variational graph auto-encoder (VGAE), a framework for unsupervised learning on graph-structured data based on the variational auto-encoder (VAE). This model makes use of latent variables and is capable of learning interpretable latent representations for undirected graphs. We demonstrate this model using a graph convolutional network (GCN) encoder and a simple inner product decoder. Our model achieves competitive results on a link prediction task in citation networks. In contrast to most existing models for unsupervised learning on graph-structured data and link prediction, our model can naturally incorporate node features, which significantly improves predictive performance on a number of benchmark datasets.

Graph representation learning is fundamental for analyzing graph-structured data. Exploring invariant graph representations remains a challenge for most existing graph representation learning methods. In this paper, we propose a cross-view graph consistency learning (CGCL) method that learns invariant graph representations for link prediction. First, two complementary augmented views are derived from an incomplete graph structure through a bidirectional graph structure augmentation scheme. This augmentation scheme mitigates the potential information loss that is commonly associated with various data augmentation techniques involving raw graph data, such as edge perturbation, node removal, and attribute masking. Second, we propose a CGCL model that can learn invariant graph representations. A cross-view training scheme is proposed to train the proposed CGCL model. This scheme attempts to maximize the consistency information between one augmented view and the graph structure reconstructed from the other augmented view. Furthermore, we offer a comprehensive theoretical CGCL analysis. This paper empirically and experimentally demonstrates the effectiveness of the proposed CGCL method, achieving competitive results on graph datasets in comparisons with several state-of-the-art algorithms.

Graph convolutional networks (GCNs) enable end-to-end learning on graph structured data. However, many works assume a given graph structure. When the input graph is noisy or unavailable, one approach is to construct or learn a latent graph structure. These methods typically fix the choice of node degree for the entire graph, which is suboptimal. Instead, we propose a novel end-to-end differentiable graph generator which builds graph topologies where each node selects both its neighborhood and its size. Our module can be readily integrated into existing pipelines involving graph convolution operations, replacing the predetermined or existing adjacency matrix with one that is learned, and optimized, as part of the general objective. As such it is applicable to any GCN. We integrate our module into trajectory prediction, point cloud classification and node classification pipelines resulting in improved accuracy over other structure-learning methods across a wide range of datasets and GCN backbones.

Graph neural networks (GNNs) have shown great power in modeling graph structured data. However, similar to other machine learning models, GNNs may make predictions biased on protected sensitive attributes, e.g., skin color and gender. Because machine learning algorithms including GNNs are trained to reflect the distribution of the training data which often contains historical bias towards sensitive attributes. In addition, the discrimination in GNNs can be magnified by graph structures and the message-passing mechanism. As a result, the applications of GNNs in sensitive domains such as crime rate prediction would be largely limited. Though extensive studies of fair classification have been conducted on i.i.d data, methods to address the problem of discrimination on non-i.i.d data are rather limited. Furthermore, the practical scenario of sparse annotations in sensitive attributes is rarely considered in existing works. Therefore, we study the novel and important problem of learning fair GNNs with limited sensitive attribute information. FairGNN is proposed to eliminate the bias of GNNs whilst maintaining high node classification accuracy by leveraging graph structures and limited sensitive information. Our theoretical analysis shows that FairGNN can ensure the fairness of GNNs under mild conditions given limited nodes with known sensitive attributes. Extensive experiments on real-world datasets also demonstrate the effectiveness of FairGNN in debiasing and keeping high accuracy.

Graph representation learning nowadays becomes fundamental in analyzing graph-structured data. Inspired by recent success of contrastive methods, in this paper, we propose a novel framework for unsupervised graph representation learning by leveraging a contrastive objective at the node level. Specifically, we generate two graph views by corruption and learn node representations by maximizing the agreement of node representations in these two views. To provide diverse node contexts for the contrastive objective, we propose a hybrid scheme for generating graph views on both structure and attribute levels. Besides, we provide theoretical justification behind our motivation from two perspectives, mutual information and the classical triplet loss. We perform empirical experiments on both transductive and inductive learning tasks using a variety of real-world datasets. Experimental experiments demonstrate that despite its simplicity, our proposed method consistently outperforms existing state-of-the-art methods by large margins. Moreover, our unsupervised method even surpasses its supervised counterparts on transductive tasks, demonstrating its great potential in real-world applications.

Pretrained contextualized text representation models learn an effective representation of a natural language to make it machine understandable. After the breakthrough of the attention mechanism, a new generation of pretrained models have been proposed achieving good performances since the introduction of the Transformer. Bidirectional Encoder Representations from Transformers (BERT) has become the state-of-the-art model for language understanding. Despite their success, most of the available models have been trained on Indo-European languages however similar research for under-represented languages and dialects remains sparse. In this paper, we investigate the feasibility of training monolingual Transformer-based language models for under represented languages, with a specific focus on the Tunisian dialect. We evaluate our language model on sentiment analysis task, dialect identification task and reading comprehension question-answering task. We show that the use of noisy web crawled data instead of structured data (Wikipedia, articles, etc.) is more convenient for such non-standardized language. Moreover, results indicate that a relatively small web crawled dataset leads to performances that are as good as those obtained using larger datasets. Finally, our best performing TunBERT model reaches or improves the state-of-the-art in all three downstream tasks. We release the TunBERT pretrained model and the datasets used for fine-tuning.

Large language models (LLMs) have made impressive progress in chemistry applications, including molecular property prediction, molecular generation, experimental protocol design, etc. However, the community lacks a dialogue-based model specifically designed for chemistry. The challenge arises from the fact that most chemical data and scientific knowledge are primarily stored in structured databases, and the direct use of these structured data compromises the model's ability to maintain coherent dialogue. To tackle this issue, we develop a novel template-based instruction construction method that transforms structured knowledge into plain dialogue, making it suitable for language model training. By leveraging this approach, we develop ChemLLM, the first large language model dedicated to chemistry, capable of performing various tasks across chemical disciplines with smooth dialogue interaction. ChemLLM beats GPT-3.5 on all three principal tasks in chemistry, i.e., name conversion, molecular caption, and reaction prediction, and surpasses GPT-4 on two of them. Remarkably, ChemLLM also shows exceptional adaptability to related mathematical and physical tasks despite being trained mainly on chemical-centric corpora. Furthermore, ChemLLM demonstrates proficiency in specialized NLP tasks within chemistry, such as literature translation and cheminformatic programming. ChemLLM opens up a new avenue for exploration within chemical studies, while our method of integrating structured chemical knowledge into dialogue systems sets a new frontier for developing LLMs across various scientific fields. Codes, Datasets, and Model weights are publicly accessible at hf.co/AI4Chem/ChemLLM-7B-Chat.

Retrieval-augmented Generation (RAG) enhances Large Language Models (LLMs) by integrating external knowledge to reduce hallucinations and incorporate up-to-date information without retraining. As an essential part of RAG, external knowledge bases are commonly built by extracting structured data from unstructured PDF documents using Optical Character Recognition (OCR). However, given the imperfect prediction of OCR and the inherent non-uniform representation of structured data, knowledge bases inevitably contain various OCR noises. In this paper, we introduce OHRBench, the first benchmark for understanding the cascading impact of OCR on RAG systems. OHRBench includes 350 carefully selected unstructured PDF documents from six real-world RAG application domains, along with Q&As derived from multimodal elements in documents, challenging existing OCR solutions used for RAG To better understand OCR's impact on RAG systems, we identify two primary types of OCR noise: Semantic Noise and Formatting Noise and apply perturbation to generate a set of structured data with varying degrees of each OCR noise. Using OHRBench, we first conduct a comprehensive evaluation of current OCR solutions and reveal that none is competent for constructing high-quality knowledge bases for RAG systems. We then systematically evaluate the impact of these two noise types and demonstrate the vulnerability of RAG systems. Furthermore, we discuss the potential of employing Vision-Language Models (VLMs) without OCR in RAG systems. Code: https://github.com/opendatalab/OHR-Bench

Graph Neural Networks (GNNs) have shown promising potential in graph representation learning. The majority of GNNs define a local message-passing mechanism, propagating information over the graph by stacking multiple layers. These methods, however, are known to suffer from two major limitations: over-squashing and poor capturing of long-range dependencies. Recently, Graph Transformers (GTs) emerged as a powerful alternative to Message-Passing Neural Networks (MPNNs). GTs, however, have quadratic computational cost, lack inductive biases on graph structures, and rely on complex Positional/Structural Encodings (SE/PE). In this paper, we show that while Transformers, complex message-passing, and SE/PE are sufficient for good performance in practice, neither is necessary. Motivated by the recent success of State Space Models (SSMs), such as Mamba, we present Graph Mamba Networks (GMNs), a general framework for a new class of GNNs based on selective SSMs. We discuss and categorize the new challenges when adopting SSMs to graph-structured data, and present four required and one optional steps to design GMNs, where we choose (1) Neighborhood Tokenization, (2) Token Ordering, (3) Architecture of Bidirectional Selective SSM Encoder, (4) Local Encoding, and dispensable (5) PE and SE. We further provide theoretical justification for the power of GMNs. Experiments demonstrate that despite much less computational cost, GMNs attain an outstanding performance in long-range, small-scale, large-scale, and heterophilic benchmark datasets.

While the general machine learning (ML) community has benefited from public datasets, tasks, and models, the progress of ML in healthcare has been hampered by a lack of such shared assets. The success of foundation models creates new challenges for healthcare ML by requiring access to shared pretrained models to validate performance benefits. We help address these challenges through three contributions. First, we publish a new dataset, EHRSHOT, which contains deidentified structured data from the electronic health records (EHRs) of 6,739 patients from Stanford Medicine. Unlike MIMIC-III/IV and other popular EHR datasets, EHRSHOT is longitudinal and not restricted to ICU/ED patients. Second, we publish the weights of CLMBR-T-base, a 141M parameter clinical foundation model pretrained on the structured EHR data of 2.57M patients. We are one of the first to fully release such a model for coded EHR data; in contrast, most prior models released for clinical data (e.g. GatorTron, ClinicalBERT) only work with unstructured text and cannot process the rich, structured data within an EHR. We provide an end-to-end pipeline for the community to validate and build upon its performance. Third, we define 15 few-shot clinical prediction tasks, enabling evaluation of foundation models on benefits such as sample efficiency and task adaptation. Our model and dataset are available via a research data use agreement from the Stanford AIMI Center. Code to reproduce our results are available at our Github repo: https://github.com/som-shahlab/ehrshot-benchmark

Graph Neural Networks (GNNs) are a powerful technique for machine learning on graph-structured data, yet they pose challenges in interpretability. Existing GNN explanation methods usually yield technical outputs, such as subgraphs and feature importance scores, that are difficult for non-data scientists to understand and thereby violate the purpose of explanations. Motivated by recent Explainable AI (XAI) research, we propose GraphXAIN, a method that generates natural language narratives explaining GNN predictions. GraphXAIN is a model- and explainer-agnostic method that uses Large Language Models (LLMs) to translate explanatory subgraphs and feature importance scores into coherent, story-like explanations of GNN decision-making processes. Evaluations on real-world datasets demonstrate GraphXAIN's ability to improve graph explanations. A survey of machine learning researchers and practitioners reveals that GraphXAIN enhances four explainability dimensions: understandability, satisfaction, convincingness, and suitability for communicating model predictions. When combined with another graph explainer method, GraphXAIN further improves trustworthiness, insightfulness, confidence, and usability. Notably, 95% of participants found GraphXAIN to be a valuable addition to the GNN explanation method. By incorporating natural language narratives, our approach serves both graph practitioners and non-expert users by providing clearer and more effective explanations.

The enduring legacy of Euclidean geometry underpins classical machine learning, which, for decades, has been primarily developed for data lying in Euclidean space. Yet, modern machine learning increasingly encounters richly structured data that is inherently nonEuclidean. This data can exhibit intricate geometric, topological and algebraic structure: from the geometry of the curvature of space-time, to topologically complex interactions between neurons in the brain, to the algebraic transformations describing symmetries of physical systems. Extracting knowledge from such non-Euclidean data necessitates a broader mathematical perspective. Echoing the 19th-century revolutions that gave rise to non-Euclidean geometry, an emerging line of research is redefining modern machine learning with non-Euclidean structures. Its goal: generalizing classical methods to unconventional data types with geometry, topology, and algebra. In this review, we provide an accessible gateway to this fast-growing field and propose a graphical taxonomy that integrates recent advances into an intuitive unified framework. We subsequently extract insights into current challenges and highlight exciting opportunities for future development in this field.

Natural language processing (NLP) practitioners are leveraging large language models (LLM) to create structured datasets from semi-structured and unstructured data sources such as patents, papers, and theses, without having domain-specific knowledge. At the same time, ecological experts are searching for a variety of means to preserve biodiversity. To contribute to these efforts, we focused on endangered species and through in-context learning, we distilled knowledge from GPT-4. In effect, we created datasets for both named entity recognition (NER) and relation extraction (RE) via a two-stage process: 1) we generated synthetic data from GPT-4 of four classes of endangered species, 2) humans verified the factual accuracy of the synthetic data, resulting in gold data. Eventually, our novel dataset contains a total of 3.6K sentences, evenly divided between 1.8K NER and 1.8K RE sentences. The constructed dataset was then used to fine-tune both general BERT and domain-specific BERT variants, completing the knowledge distillation process from GPT-4 to BERT, because GPT-4 is resource intensive. Experiments show that our knowledge transfer approach is effective at creating a NER model suitable for detecting endangered species from texts.

The field of deep generative modeling has grown rapidly and consistently over the years. With the availability of massive amounts of training data coupled with advances in scalable unsupervised learning paradigms, recent large-scale generative models show tremendous promise in synthesizing high-resolution images and text, as well as structured data such as videos and molecules. However, we argue that current large-scale generative AI models do not sufficiently address several fundamental issues that hinder their widespread adoption across domains. In this work, we aim to identify key unresolved challenges in modern generative AI paradigms that should be tackled to further enhance their capabilities, versatility, and reliability. By identifying these challenges, we aim to provide researchers with valuable insights for exploring fruitful research directions, thereby fostering the development of more robust and accessible generative AI solutions.

Electronic health records contain an enormous amount of valuable information, but many are recorded in free text. Information extraction is the strategy to transform the sequence of characters into structured data, which can be employed for secondary analysis. However, the traditional information extraction components, such as named entity recognition and relation extraction, require annotated data to optimize the model parameters, which has become one of the major bottlenecks in building information extraction systems. With the large language models achieving good performances on various downstream NLP tasks without parameter tuning, it becomes possible to use large language models for zero-shot information extraction. In this study, we aim to explore whether the most popular large language model, ChatGPT, can extract useful information from the radiological reports. We first design the prompt template for the interested information in the CT reports. Then, we generate the prompts by combining the prompt template with the CT reports as the inputs of ChatGPT to obtain the responses. A post-processing module is developed to transform the responses into structured extraction results. We conducted the experiments with 847 CT reports collected from Peking University Cancer Hospital. The experimental results indicate that ChatGPT can achieve competitive performances for some extraction tasks compared with the baseline information extraction system, but some limitations need to be further improved.

In many real-world applications, graph-structured data used for training and testing have differences in distribution, such as in high energy physics (HEP) where simulation data used for training may not match real experiments. Graph domain adaptation (GDA) is a method used to address these differences. However, current GDA primarily works by aligning the distributions of node representations output by a single graph neural network encoder shared across the training and testing domains, which may often yield sub-optimal solutions. This work examines different impacts of distribution shifts caused by either graph structure or node attributes and identifies a new type of shift, named conditional structure shift (CSS), which current GDA approaches are provably sub-optimal to deal with. A novel approach, called structural reweighting (StruRW), is proposed to address this issue and is tested on synthetic graphs, four benchmark datasets, and a new application in HEP. StruRW has shown significant performance improvement over the baselines in the settings with large graph structure shifts, and reasonable performance improvement when node attribute shift dominates.

Graph neural networks (GNNs) are the most widely adopted model in graph-structured data oriented learning and representation. Despite their extraordinary success in real-world applications, understanding their working mechanism by theory is still on primary stage. In this paper, we move towards this goal from the perspective of generalization. To be specific, we first establish high probability bounds of generalization gap and gradients in transductive learning with consideration of stochastic optimization. After that, we provide high probability bounds of generalization gap for popular GNNs. The theoretical results reveal the architecture specific factors affecting the generalization gap. Experimental results on benchmark datasets show the consistency between theoretical results and empirical evidence. Our results provide new insights in understanding the generalization of GNNs.

Relation linking is essential to enable question answering over knowledge bases. Although there are various efforts to improve relation linking performance, the current state-of-the-art methods do not achieve optimal results, therefore, negatively impacting the overall end-to-end question answering performance. In this work, we propose a novel approach for relation linking framing it as a generative problem facilitating the use of pre-trained sequence-to-sequence models. We extend such sequence-to-sequence models with the idea of infusing structured data from the target knowledge base, primarily to enable these models to handle the nuances of the knowledge base. Moreover, we train the model with the aim to generate a structured output consisting of a list of argument-relation pairs, enabling a knowledge validation step. We compared our method against the existing relation linking systems on four different datasets derived from DBpedia and Wikidata. Our method reports large improvements over the state-of-the-art while using a much simpler model that can be easily adapted to different knowledge bases.

Understanding time from visual representations is a fundamental cognitive skill, yet it remains a challenge for multimodal large language models (MLLMs). In this work, we investigate the capabilities of MLLMs in interpreting time and date through analogue clocks and yearly calendars. To facilitate this, we curated a structured dataset comprising two subsets: 1) ClockQA, which comprises various types of clock styles-standard, black-dial, no-second-hand, Roman numeral, and arrow-hand clocks-paired with time related questions; and 2) CalendarQA, which consists of yearly calendar images with questions ranging from commonly known dates (e.g., Christmas, New Year's Day) to computationally derived ones (e.g., the 100th or 153rd day of the year). We aim to analyse how MLLMs can perform visual recognition, numerical reasoning, and temporal inference when presented with time-related visual data. Our evaluations show that despite recent advancements, reliably understanding time remains a significant challenge for MLLMs.

Existing Text-to-SQL generators require the entire schema to be encoded with the user text. This is expensive or impractical for large databases with tens of thousands of columns. Standard dense retrieval techniques are inadequate for schema subsetting of a large structured database, where the correct semantics of retrieval demands that we rank sets of schema elements rather than individual elements. In response, we propose a two-stage process for effective coverage during retrieval. First, we instruct an LLM to hallucinate a minimal DB schema deemed adequate to answer the query. We use the hallucinated schema to retrieve a subset of the actual schema, by composing the results from multiple dense retrievals. Remarkably, hallucination x2013 generally considered a nuisance x2013 turns out to be actually useful as a bridging mechanism. Since no existing benchmarks exist for schema subsetting on large databases, we introduce three benchmarks. Two semi-synthetic datasets are derived from the union of schemas in two well-known datasets, SPIDER and BIRD, resulting in 4502 and 798 schema elements respectively. A real-life benchmark called SocialDB is sourced from an actual large data warehouse comprising 17844 schema elements. We show that our method1 leads to significantly higher recall than SOTA retrieval-based augmentation methods.

Graph neural networks (GNNs) have recently become the standard approach for learning with graph-structured data. Prior work has shed light into their potential, but also their limitations. Unfortunately, it was shown that standard GNNs are limited in their expressive power. These models are no more powerful than the 1-dimensional Weisfeiler-Leman (1-WL) algorithm in terms of distinguishing non-isomorphic graphs. In this paper, we propose Path Neural Networks (PathNNs), a model that updates node representations by aggregating paths emanating from nodes. We derive three different variants of the PathNN model that aggregate single shortest paths, all shortest paths and all simple paths of length up to K. We prove that two of these variants are strictly more powerful than the 1-WL algorithm, and we experimentally validate our theoretical results. We find that PathNNs can distinguish pairs of non-isomorphic graphs that are indistinguishable by 1-WL, while our most expressive PathNN variant can even distinguish between 3-WL indistinguishable graphs. The different PathNN variants are also evaluated on graph classification and graph regression datasets, where in most cases, they outperform the baseline methods.

Message passing graph neural networks (GNNs) are a popular learning architectures for graph-structured data. However, one problem GNNs experience is oversquashing, where a GNN has difficulty sending information between distant nodes. Understanding and mitigating oversquashing has recently received significant attention from the research community. In this paper, we continue this line of work by analyzing oversquashing through the lens of the effective resistance between nodes in the input graph. Effective resistance intuitively captures the ``strength'' of connection between two nodes by paths in the graph, and has a rich literature spanning many areas of graph theory. We propose to use total effective resistance as a bound of the total amount of oversquashing in a graph and provide theoretical justification for its use. We further develop an algorithm to identify edges to be added to an input graph to minimize the total effective resistance, thereby alleviating oversquashing. We provide empirical evidence of the effectiveness of our total effective resistance based rewiring strategies for improving the performance of GNNs.

Graph Neural Networks (GNNs) have emerged as powerful tools to encode graph-structured data. Due to their broad applications, there is an increasing need to develop tools to explain how GNNs make decisions given graph-structured data. Existing learning-based GNN explanation approaches are task-specific in training and hence suffer from crucial drawbacks. Specifically, they are incapable of producing explanations for a multitask prediction model with a single explainer. They are also unable to provide explanations in cases where the GNN is trained in a self-supervised manner, and the resulting representations are used in future downstream tasks. To address these limitations, we propose a Task-Agnostic GNN Explainer (TAGE) that is independent of downstream models and trained under self-supervision with no knowledge of downstream tasks. TAGE enables the explanation of GNN embedding models with unseen downstream tasks and allows efficient explanation of multitask models. Our extensive experiments show that TAGE can significantly speed up the explanation efficiency by using the same model to explain predictions for multiple downstream tasks while achieving explanation quality as good as or even better than current state-of-the-art GNN explanation approaches. Our code is pubicly available as part of the DIG library at https://github.com/divelab/DIG/tree/main/dig/xgraph/TAGE/.

Graph neural networks (GNNs) have been demonstrated to be powerful in modeling graph-structured data. However, training GNNs usually requires abundant task-specific labeled data, which is often arduously expensive to obtain. One effective way to reduce the labeling effort is to pre-train an expressive GNN model on unlabeled data with self-supervision and then transfer the learned model to downstream tasks with only a few labels. In this paper, we present the GPT-GNN framework to initialize GNNs by generative pre-training. GPT-GNN introduces a self-supervised attributed graph generation task to pre-train a GNN so that it can capture the structural and semantic properties of the graph. We factorize the likelihood of the graph generation into two components: 1) Attribute Generation and 2) Edge Generation. By modeling both components, GPT-GNN captures the inherent dependency between node attributes and graph structure during the generative process. Comprehensive experiments on the billion-scale Open Academic Graph and Amazon recommendation data demonstrate that GPT-GNN significantly outperforms state-of-the-art GNN models without pre-training by up to 9.1% across various downstream tasks.

Graph neural networks (GNN) has been successfully applied to operate on the graph-structured data. Given a specific scenario, rich human expertise and tremendous laborious trials are usually required to identify a suitable GNN architecture. It is because the performance of a GNN architecture is significantly affected by the choice of graph convolution components, such as aggregate function and hidden dimension. Neural architecture search (NAS) has shown its potential in discovering effective deep architectures for learning tasks in image and language modeling. However, existing NAS algorithms cannot be directly applied to the GNN search problem. First, the search space of GNN is different from the ones in existing NAS work. Second, the representation learning capacity of GNN architecture changes obviously with slight architecture modifications. It affects the search efficiency of traditional search methods. Third, widely used techniques in NAS such as parameter sharing might become unstable in GNN. To bridge the gap, we propose the automated graph neural networks (AGNN) framework, which aims to find an optimal GNN architecture within a predefined search space. A reinforcement learning based controller is designed to greedily validate architectures via small steps. AGNN has a novel parameter sharing strategy that enables homogeneous architectures to share parameters, based on a carefully-designed homogeneity definition. Experiments on real-world benchmark datasets demonstrate that the GNN architecture identified by AGNN achieves the best performance, comparing with existing handcrafted models and tradistional search methods.

Graph Structure Learning (GSL) focuses on capturing intrinsic dependencies and interactions among nodes in graph-structured data by generating novel graph structures. Graph Neural Networks (GNNs) have emerged as promising GSL solutions, utilizing recursive message passing to encode node-wise inter-dependencies. However, many existing GSL methods heavily depend on explicit graph structural information as supervision signals, leaving them susceptible to challenges such as data noise and sparsity. In this work, we propose GraphEdit, an approach that leverages large language models (LLMs) to learn complex node relationships in graph-structured data. By enhancing the reasoning capabilities of LLMs through instruction-tuning over graph structures, we aim to overcome the limitations associated with explicit graph structural information and enhance the reliability of graph structure learning. Our approach not only effectively denoises noisy connections but also identifies node-wise dependencies from a global perspective, providing a comprehensive understanding of the graph structure. We conduct extensive experiments on multiple benchmark datasets to demonstrate the effectiveness and robustness of GraphEdit across various settings. We have made our model implementation available at: https://github.com/HKUDS/GraphEdit.

This study presents the first investigation of pedestrian crash severity using the TabNet model, a novel tabular deep learning method exceptionally suited for analyzing the tabular data inherent in transportation safety research. Through the application of TabNet to a comprehensive dataset from Utah covering the years 2010 to 2022, we uncover intricate factors contributing to pedestrian crash severity. The TabNet model, capitalizing on its compatibility with structured data, demonstrates remarkable predictive accuracy, eclipsing that of traditional models. It identifies critical variables, such as pedestrian age, involvement in left or right turns, lighting conditions, and alcohol consumption, which significantly influence crash outcomes. The utilization of SHapley Additive exPlanations (SHAP) enhances our ability to interpret the TabNet model's predictions, ensuring transparency and understandability in our deep learning approach. The insights derived from our analysis provide a valuable compass for transportation safety engineers and policymakers, enabling the identification of pivotal factors that affect pedestrian crash severity. Such knowledge is instrumental in formulating precise, data-driven interventions aimed at bolstering pedestrian safety across diverse urban and rural settings.

Graphs are a powerful tool for representing and analyzing complex relationships in real-world applications such as social networks, recommender systems, and computational finance. Reasoning on graphs is essential for drawing inferences about the relationships between entities in a complex system, and to identify hidden patterns and trends. Despite the remarkable progress in automated reasoning with natural text, reasoning on graphs with large language models (LLMs) remains an understudied problem. In this work, we perform the first comprehensive study of encoding graph-structured data as text for consumption by LLMs. We show that LLM performance on graph reasoning tasks varies on three fundamental levels: (1) the graph encoding method, (2) the nature of the graph task itself, and (3) interestingly, the very structure of the graph considered. These novel results provide valuable insight on strategies for encoding graphs as text. Using these insights we illustrate how the correct choice of encoders can boost performance on graph reasoning tasks inside LLMs by 4.8% to 61.8%, depending on the task.

The ability to generate SPARQL queries from natural language questions is crucial for ensuring efficient and accurate retrieval of structured data from knowledge graphs (KG). While large language models (LLMs) have been widely adopted for SPARQL query generation, they are often susceptible to hallucinations and out-of-distribution errors when producing KG elements like Uniform Resource Identifiers (URIs) based on internal parametric knowledge. This often results in content that appears plausible but is factually incorrect, posing significant challenges for their use in real-world information retrieval (IR) applications. This has led to increased research aimed at detecting and mitigating such errors. In this paper, we introduce PGMR (Post-Generation Memory Retrieval), a modular framework that incorporates a non-parametric memory module to retrieve KG elements and enhance LLM-based SPARQL query generation. Our experimental results indicate that PGMR consistently delivers strong performance across diverse datasets, data distributions, and LLMs. Notably, PGMR significantly mitigates URI hallucinations, nearly eliminating the problem in several scenarios.

This study explores the use of Large Language Models (LLMs) for automatic evaluation of knowledge graph (KG) completion models. Historically, validating information in KGs has been a challenging task, requiring large-scale human annotation at prohibitive cost. With the emergence of general-purpose generative AI and LLMs, it is now plausible that human-in-the-loop validation could be replaced by a generative agent. We introduce a framework for consistency and validation when using generative models to validate knowledge graphs. Our framework is based upon recent open-source developments for structural and semantic validation of LLM outputs, and upon flexible approaches to fact checking and verification, supported by the capacity to reference external knowledge sources of any kind. The design is easy to adapt and extend, and can be used to verify any kind of graph-structured data through a combination of model-intrinsic knowledge, user-supplied context, and agents capable of external knowledge retrieval.

Diffusion models have established themselves as state-of-the-art generative models across various data modalities, including images and videos, due to their ability to accurately approximate complex data distributions. Unlike traditional generative approaches such as VAEs and GANs, diffusion models employ a progressive denoising process that transforms noise into meaningful data over multiple iterative steps. This gradual approach enhances their expressiveness and generation quality. Not only that, diffusion models have also been shown to extract meaningful representations from data while learning to generate samples. Despite their success, the application of diffusion models to graph-structured data remains relatively unexplored, primarily due to the discrete nature of graphs, which necessitates discrete diffusion processes distinct from the continuous methods used in other domains. In this work, we leverage the representational capabilities of diffusion models to learn meaningful embeddings for graph data. By training a discrete diffusion model within an autoencoder framework, we enable both effective autoencoding and representation learning tailored to the unique characteristics of graph-structured data. We only need the encoder at the end to extract representations. Our approach demonstrates the potential of discrete diffusion models to be used for graph representation learning.

Tumor documentation in Germany is largely done manually, requiring reading patient records and entering data into structured databases. Large language models (LLMs) could potentially enhance this process by improving efficiency and reliability. This evaluation tests eleven different open source LLMs with sizes ranging from 1-70 billion model parameters on three basic tasks of the tumor documentation process: identifying tumor diagnoses, assigning ICD-10 codes, and extracting the date of first diagnosis. For evaluating the LLMs on these tasks, a dataset of annotated text snippets based on anonymized doctors' notes from urology was prepared. Different prompting strategies were used to investigate the effect of the number of examples in few-shot prompting and to explore the capabilities of the LLMs in general. The models Llama 3.1 8B, Mistral 7B, and Mistral NeMo 12 B performed comparably well in the tasks. Models with less extensive training data or having fewer than 7 billion parameters showed notably lower performance, while larger models did not display performance gains. Examples from a different medical domain than urology could also improve the outcome in few-shot prompting, which demonstrates the ability of LLMs to handle tasks needed for tumor documentation. Open source LLMs show a strong potential for automating tumor documentation. Models from 7-12 billion parameters could offer an optimal balance between performance and resource efficiency. With tailored fine-tuning and well-designed prompting, these models might become important tools for clinical documentation in the future. The code for the evaluation is available from https://github.com/stefan-m-lenz/UroLlmEval. We also release the dataset as a new valuable resource that addresses the shortage of authentic and easily accessible benchmarks in German-language medical NLP.

Advances in natural language processing techniques, such as named entity recognition and normalization to widely used standardized terminologies like UMLS or SNOMED-CT, along with the digitalization of electronic health records, have significantly advanced clinical text analysis. This study presents ClinLinker, a novel approach employing a two-phase pipeline for medical entity linking that leverages the potential of in-domain adapted language models for biomedical text mining: initial candidate retrieval using a SapBERT-based bi-encoder and subsequent re-ranking with a cross-encoder, trained by following a contrastive-learning strategy to be tailored to medical concepts in Spanish. This methodology, focused initially on content in Spanish, substantially outperforming multilingual language models designed for the same purpose. This is true even for complex scenarios involving heterogeneous medical terminologies and being trained on a subset of the original data. Our results, evaluated using top-k accuracy at 25 and other top-k metrics, demonstrate our approach's performance on two distinct clinical entity linking Gold Standard corpora, DisTEMIST (diseases) and MedProcNER (clinical procedures), outperforming previous benchmarks by 40 points in DisTEMIST and 43 points in MedProcNER, both normalized to SNOMED-CT codes. These findings highlight our approach's ability to address language-specific nuances and set a new benchmark in entity linking, offering a potent tool for enhancing the utility of digital medical records. The resulting system is of practical value, both for large scale automatic generation of structured data derived from clinical records, as well as for exhaustive extraction and harmonization of predefined clinical variables of interest.

Molecular property prediction has gained significant attention due to its transformative potential in multiple scientific disciplines. Conventionally, a molecule graph can be represented either as a graph-structured data or a SMILES text. Recently, the rapid development of Large Language Models (LLMs) has revolutionized the field of NLP. Although it is natural to utilize LLMs to assist in understanding molecules represented by SMILES, the exploration of how LLMs will impact molecular property prediction is still in its early stage. In this work, we advance towards this objective through two perspectives: zero/few-shot molecular classification, and using the new explanations generated by LLMs as representations of molecules. To be specific, we first prompt LLMs to do in-context molecular classification and evaluate their performance. After that, we employ LLMs to generate semantically enriched explanations for the original SMILES and then leverage that to fine-tune a small-scale LM model for multiple downstream tasks. The experimental results highlight the superiority of text explanations as molecular representations across multiple benchmark datasets, and confirm the immense potential of LLMs in molecular property prediction tasks. Codes are available at https://github.com/ChnQ/LLM4Mol.

Graph neural networks (GNNs) are one of the most popular approaches to using deep learning on graph-structured data, and they have shown state-of-the-art performances on a variety of tasks. However, according to a recent study, a careful choice of pooling functions, which are used for the aggregation and readout operations in GNNs, is crucial for enabling GNNs to extrapolate. Without proper choices of pooling functions, which varies across tasks, GNNs completely fail to generalize to out-of-distribution data, while the number of possible choices grows exponentially with the number of layers. In this paper, we present GNP, a L^p norm-like pooling function that is trainable end-to-end for any given task. Notably, GNP generalizes most of the widely-used pooling functions. We verify experimentally that simply using GNP for every aggregation and readout operation enables GNNs to extrapolate well on many node-level, graph-level, and set-related tasks; and GNP sometimes performs even better than the best-performing choices among existing pooling functions.

It is challenging for humans -- particularly those living with physical disabilities -- to control high-dimensional, dexterous robots. Prior work explores learning embedding functions that map a human's low-dimensional inputs (e.g., via a joystick) to complex, high-dimensional robot actions for assistive teleoperation; however, a central problem is that there are many more high-dimensional actions than available low-dimensional inputs. To extract the correct action and maximally assist their human controller, robots must reason over their context: for example, pressing a joystick down when interacting with a coffee cup indicates a different action than when interacting with knife. In this work, we develop assistive robots that condition their latent embeddings on visual inputs. We explore a spectrum of visual encoders and show that incorporating object detectors pretrained on small amounts of cheap, easy-to-collect structured data enables i) accurately and robustly recognizing the current context and ii) generalizing control embeddings to new objects and tasks. In user studies with a high-dimensional physical robot arm, participants leverage this approach to perform new tasks with unseen objects. Our results indicate that structured visual representations improve few-shot performance and are subjectively preferred by users.

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.

Generalizable, transferrable, and robust representation learning on graph-structured data remains a challenge for current graph neural networks (GNNs). Unlike what has been developed for convolutional neural networks (CNNs) for image data, self-supervised learning and pre-training are less explored for GNNs. In this paper, we propose a graph contrastive learning (GraphCL) framework for learning unsupervised representations of graph data. We first design four types of graph augmentations to incorporate various priors. We then systematically study the impact of various combinations of graph augmentations on multiple datasets, in four different settings: semi-supervised, unsupervised, and transfer learning as well as adversarial attacks. The results show that, even without tuning augmentation extents nor using sophisticated GNN architectures, our GraphCL framework can produce graph representations of similar or better generalizability, transferrability, and robustness compared to state-of-the-art methods. We also investigate the impact of parameterized graph augmentation extents and patterns, and observe further performance gains in preliminary experiments. Our codes are available at https://github.com/Shen-Lab/GraphCL.

We present graph attention networks (GATs), novel neural network architectures that operate on graph-structured data, leveraging masked self-attentional layers to address the shortcomings of prior methods based on graph convolutions or their approximations. By stacking layers in which nodes are able to attend over their neighborhoods' features, we enable (implicitly) specifying different weights to different nodes in a neighborhood, without requiring any kind of costly matrix operation (such as inversion) or depending on knowing the graph structure upfront. In this way, we address several key challenges of spectral-based graph neural networks simultaneously, and make our model readily applicable to inductive as well as transductive problems. Our GAT models have achieved or matched state-of-the-art results across four established transductive and inductive graph benchmarks: the Cora, Citeseer and Pubmed citation network datasets, as well as a protein-protein interaction dataset (wherein test graphs remain unseen during training).

In this paper, we address the challenge of enforcing strict schema adherence in large language model (LLM) generation by leveraging LLM reasoning capabilities. Building on the DeepSeek R1 reinforcement learning framework, our approach trains structured reasoning skills of a 1.5B parameter model through a novel pipeline that combines synthetic reasoning dataset construction with custom reward functions under Group Relative Policy Optimization (GRPO). Specifically, we first perform R1 reinforcement learning on a 20K sample unstructured-to-structured dataset, mirroring the original DeepSeek R1 methods, to establish core reasoning abilities. Subsequently, we performed supervised fine-tuning on a separate 10K reasoning sample dataset, focusing on refining schema adherence for downstream tasks. Despite the relatively modest training scope, requiring approximately 20 hours on an 8xH100 GPU cluster for GRPO training and 3 hours on 1xA100 for SFT, our model demonstrates robust performance in enforcing schema consistency. We compare our ThinkJSON approach against the original DeepSeek R1 (671B), distilled versions of DeepSeek R1 (Qwen-1.5B and Qwen-7B), and Gemini 2.0 Flash (70B), showcasing its effectiveness in real-world applications. Our results underscore the practical utility of a resource-efficient framework for schema-constrained text generation.

Diffusion models, as a novel generative paradigm, have achieved remarkable success in various image generation tasks such as image inpainting, image-to-text translation, and video generation. Graph generation is a crucial computational task on graphs with numerous real-world applications. It aims to learn the distribution of given graphs and then generate new graphs. Given the great success of diffusion models in image generation, increasing efforts have been made to leverage these techniques to advance graph generation in recent years. In this paper, we first provide a comprehensive overview of generative diffusion models on graphs, In particular, we review representative algorithms for three variants of graph diffusion models, i.e., Score Matching with Langevin Dynamics (SMLD), Denoising Diffusion Probabilistic Model (DDPM), and Score-based Generative Model (SGM). Then, we summarize the major applications of generative diffusion models on graphs with a specific focus on molecule and protein modeling. Finally, we discuss promising directions in generative diffusion models on graph-structured data. For this survey, we also created a GitHub project website by collecting the supporting resources for generative diffusion models on graphs, at the link: https://github.com/ChengyiLIU-cs/Generative-Diffusion-Models-on-Graphs

This work introduces the first framework for reconstructing surgical dialogue from unstructured real-world recordings, which is crucial for characterizing teaching tasks. In surgical training, the formative verbal feedback that trainers provide to trainees during live surgeries is crucial for ensuring safety, correcting behavior immediately, and facilitating long-term skill acquisition. However, analyzing and quantifying this feedback is challenging due to its unstructured and specialized nature. Automated systems are essential to manage these complexities at scale, allowing for the creation of structured datasets that enhance feedback analysis and improve surgical education. Our framework integrates voice activity detection, speaker diarization, and automated speech recaognition, with a novel enhancement that 1) removes hallucinations (non-existent utterances generated during speech recognition fueled by noise in the operating room) and 2) separates speech from trainers and trainees using few-shot voice samples. These aspects are vital for reconstructing accurate surgical dialogues and understanding the roles of operating room participants. Using data from 33 real-world surgeries, we demonstrated the system's capability to reconstruct surgical teaching dialogues and detect feedback instances effectively (F1 score of 0.79+/-0.07). Moreover, our hallucination removal step improves feedback detection performance by ~14%. Evaluation on downstream clinically relevant tasks of predicting Behavioral Adjustment of trainees and classifying Technical feedback, showed performances comparable to manual annotations with F1 scores of 0.82+/0.03 and 0.81+/0.03 respectively. These results highlight the effectiveness of our framework in supporting clinically relevant tasks and improving over manual methods.

Diderot's Encyclop\'edie is a reference work from XVIIIth century in Europe that aimed at collecting the knowledge of its era. Wikipedia has the same ambition with a much greater scope. However, the lack of digital connection between the two encyclopedias may hinder their comparison and the study of how knowledge has evolved. A key element of Wikipedia is Wikidata that backs the articles with a graph of structured data. In this paper, we describe the annotation of more than 10,300 of the Encyclop\'edie entries with Wikidata identifiers enabling us to connect these entries to the graph. We considered geographic and human entities. The Encyclop\'edie does not contain biographic entries as they mostly appear as subentries of locations. We extracted all the geographic entries and we completely annotated all the entries containing a description of human entities. This represents more than 2,600 links referring to locations or human entities. In addition, we annotated more than 9,500 entries having a geographic content only. We describe the annotation process as well as application examples. This resource is available at https://github.com/pnugues/encyclopedie_1751

In many use-cases, information is stored in text but not available in structured data. However, extracting data from natural language text to precisely fit a schema, and thus enable querying, is a challenging task. With the rise of pre-trained Large Language Models (LLMs), there is now an effective solution to store and use information extracted from massive corpora of text documents. Thus, we envision the use of SQL queries to cover a broad range of data that is not captured by traditional databases by tapping the information in LLMs. To ground this vision, we present Galois, a prototype based on a traditional database architecture, but with new physical operators for querying the underlying LLM. The main idea is to execute some operators of the the query plan with prompts that retrieve data from the LLM. For a large class of SQL queries, querying LLMs returns well structured relations, with encouraging qualitative results. Preliminary experimental results make pre-trained LLMs a promising addition to the field of database systems, introducing a new direction for hybrid query processing. However, we pinpoint several research challenges that must be addressed to build a DBMS that exploits LLMs. While some of these challenges necessitate integrating concepts from the NLP literature, others offer novel research avenues for the DB community.

Text-to-SQL, which involves translating natural language into Structured Query Language (SQL), is crucial for enabling broad access to structured databases without expert knowledge. However, designing models for such tasks is challenging due to numerous factors, including the presence of 'noise,' such as ambiguous questions and syntactical errors. This study provides an in-depth analysis of the distribution and types of noise in the widely used BIRD-Bench benchmark and the impact of noise on models. While BIRD-Bench was created to model dirty and noisy database values, it was not created to contain noise and errors in the questions and gold queries. We found that noise in questions and gold queries are prevalent in the dataset, with varying amounts across domains, and with an uneven distribution between noise types. The presence of incorrect gold SQL queries, which then generate incorrect gold answers, has a significant impact on the benchmark's reliability. Surprisingly, when evaluating models on corrected SQL queries, zero-shot baselines surpassed the performance of state-of-the-art prompting methods. We conclude that informative noise labels and reliable benchmarks are crucial to developing new Text-to-SQL methods that can handle varying types of noise. All datasets, annotations, and code are available at https://github.com/niklaswretblad/the-effects-of-noise-in-text-to-SQL.

While many contemporary large language models (LLMs) can process lengthy input, they still struggle to fully utilize information within the long context, known as the lost-in-the-middle challenge. We hypothesize that it stems from insufficient explicit supervision during the long-context training, which fails to emphasize that any position in a long context can hold crucial information. Based on this intuition, our study presents information-intensive (IN2) training, a purely data-driven solution to overcome lost-in-the-middle. Specifically, IN2 training leverages a synthesized long-context question-answer dataset, where the answer requires (1) fine-grained information awareness on a short segment (~128 tokens) within a synthesized long context (4K-32K tokens), and (2) the integration and reasoning of information from two or more short segments. Through applying this information-intensive training on Mistral-7B, we present FILM-7B (FILl-in-the-Middle). To thoroughly assess the ability of FILM-7B for utilizing long contexts, we design three probing tasks that encompass various context styles (document, code, and structured-data context) and information retrieval patterns (forward, backward, and bi-directional retrieval). The probing results demonstrate that FILM-7B can robustly retrieve information from different positions in its 32K context window. Beyond these probing tasks, FILM-7B significantly improves the performance on real-world long-context tasks (e.g., 23.5->26.9 F1 score on NarrativeQA), while maintaining a comparable performance on short-context tasks (e.g., 59.3->59.2 accuracy on MMLU). Github Link: https://github.com/microsoft/FILM.

Current multimodal and multitask foundation models like 4M or UnifiedIO show promising results, but in practice their out-of-the-box abilities to accept diverse inputs and perform diverse tasks are limited by the (usually rather small) number of modalities and tasks they are trained on. In this paper, we expand upon the capabilities of them by training a single model on tens of highly diverse modalities and by performing co-training on large-scale multimodal datasets and text corpora. This includes training on several semantic and geometric modalities, feature maps from recent state of the art models like DINOv2 and ImageBind, pseudo labels of specialist models like SAM and 4DHumans, and a range of new modalities that allow for novel ways to interact with the model and steer the generation, for example image metadata or color palettes. A crucial step in this process is performing discrete tokenization on various modalities, whether they are image-like, neural network feature maps, vectors, structured data like instance segmentation or human poses, or data that can be represented as text. Through this, we expand on the out-of-the-box capabilities of multimodal models and specifically show the possibility of training one model to solve at least 3x more tasks/modalities than existing ones and doing so without a loss in performance. This enables more fine-grained and controllable multimodal generation capabilities and allows us to study the distillation of models trained on diverse data and objectives into a unified model. We successfully scale the training to a three billion parameter model using tens of modalities and different datasets. The resulting models and training code are open sourced at 4m.epfl.ch.

Large Language Models (LLMs) have demonstrated unprecedented prowess across various natural language processing tasks in various application domains. Recent studies show that LLMs can be leveraged to perform lexical semantic tasks, such as Knowledge Base Completion (KBC) or Ontology Learning (OL). However, it has not effectively been verified whether their success is due to their ability to reason over unstructured or semi-structured data, or their effective learning of linguistic patterns and senses alone. This unresolved question is particularly crucial when dealing with domain-specific data, where the lexical senses and their meaning can completely differ from what a LLM has learned during its training stage. This paper investigates the following question: Do LLMs really adapt to domains and remain consistent in the extraction of structured knowledge, or do they only learn lexical senses instead of reasoning? To answer this question and, we devise a controlled experiment setup that uses WordNet to synthesize parallel corpora, with English and gibberish terms. We examine the differences in the outputs of LLMs for each corpus in two OL tasks: relation extraction and taxonomy discovery. Empirical results show that, while adapting to the gibberish corpora, off-the-shelf LLMs do not consistently reason over semantic relationships between concepts, and instead leverage senses and their frame. However, fine-tuning improves the performance of LLMs on lexical semantic tasks even when the domain-specific terms are arbitrary and unseen during pre-training, hinting at the applicability of pre-trained LLMs for OL.

The statistical analysis of large scale legal corpus can provide valuable legal insights. For such analysis one needs to (1) select a subset of the corpus using document retrieval tools, (2) structuralize text using information extraction (IE) systems, and (3) visualize the data for the statistical analysis. Each process demands either specialized tools or programming skills whereas no comprehensive unified "no-code" tools have been available. Especially for IE, if the target information is not predefined in the ontology of the IE system, one needs to build their own system. Here we provide NESTLE, a no code tool for large-scale statistical analysis of legal corpus. With NESTLE, users can search target documents, extract information, and visualize the structured data all via the chat interface with accompanying auxiliary GUI for the fine-level control. NESTLE consists of three main components: a search engine, an end-to-end IE system, and a Large Language Model (LLM) that glues the whole components together and provides the chat interface. Powered by LLM and the end-to-end IE system, NESTLE can extract any type of information that has not been predefined in the IE system opening up the possibility of unlimited customizable statistical analysis of the corpus without writing a single line of code. The use of the custom end-to-end IE system also enables faster and low-cost IE on large scale corpus. We validate our system on 15 Korean precedent IE tasks and 3 legal text classification tasks from LEXGLUE. The comprehensive experiments reveal NESTLE can achieve GPT-4 comparable performance by training the internal IE module with 4 human-labeled, and 192 LLM-labeled examples. The detailed analysis provides the insight on the trade-off between accuracy, time, and cost in building such system.

The progress in modelling time series and, more generally, sequences of structured data has recently revamped research in anomaly detection. The task stands for identifying abnormal behaviors in financial series, IT systems, aerospace measurements, and the medical domain, where anomaly detection may aid in isolating cases of depression and attend the elderly. Anomaly detection in time series is a complex task since anomalies are rare due to highly non-linear temporal correlations and since the definition of anomalous is sometimes subjective. Here we propose the novel use of Hyperbolic uncertainty for Anomaly Detection (HypAD). HypAD learns self-supervisedly to reconstruct the input signal. We adopt best practices from the state-of-the-art to encode the sequence by an LSTM, jointly learned with a decoder to reconstruct the signal, with the aid of GAN critics. Uncertainty is estimated end-to-end by means of a hyperbolic neural network. By using uncertainty, HypAD may assess whether it is certain about the input signal but it fails to reconstruct it because this is anomalous; or whether the reconstruction error does not necessarily imply anomaly, as the model is uncertain, e.g. a complex but regular input signal. The novel key idea is that a detectable anomaly is one where the model is certain but it predicts wrongly. HypAD outperforms the current state-of-the-art for univariate anomaly detection on established benchmarks based on data from NASA, Yahoo, Numenta, Amazon, and Twitter. It also yields state-of-the-art performance on a multivariate dataset of anomaly activities in elderly home residences, and it outperforms the baseline on SWaT. Overall, HypAD yields the lowest false alarms at the best performance rate, thanks to successfully identifying detectable anomalies.

With the rise of software-as-a-service and microservice architectures, RESTful APIs are now ubiquitous in mobile and web applications. A service can have tens or hundreds of API methods, making it a challenge for programmers to find the right combination of methods to solve their task. We present APIphany, a component-based synthesizer for programs that compose calls to RESTful APIs. The main innovation behind APIphany is the use of precise semantic types, both to specify user intent and to direct the search. APIphany contributes three novel mechanisms to overcome challenges in adapting component-based synthesis to the REST domain: (1) a type inference algorithm for augmenting REST specifications with semantic types; (2) an efficient synthesis technique for "wrangling" semi-structured data, which is commonly required in working with RESTful APIs; and (3) a new form of simulated execution to avoid executing APIs calls during synthesis. We evaluate APIphany on three real-world APIs and 32 tasks extracted from GitHub repositories and StackOverflow. In our experiments, APIphany found correct solutions to 29 tasks, with 23 of them reported among top ten synthesis results.

Systematic literature reviews and meta-analyses are essential for synthesizing research insights, but they remain time-intensive and labor-intensive due to the iterative processes of screening, evaluation, and data extraction. This paper introduces and evaluates LatteReview, a Python-based framework that leverages large language models (LLMs) and multi-agent systems to automate key elements of the systematic review process. Designed to streamline workflows while maintaining rigor, LatteReview utilizes modular agents for tasks such as title and abstract screening, relevance scoring, and structured data extraction. These agents operate within orchestrated workflows, supporting sequential and parallel review rounds, dynamic decision-making, and iterative refinement based on user feedback. LatteReview's architecture integrates LLM providers, enabling compatibility with both cloud-based and locally hosted models. The framework supports features such as Retrieval-Augmented Generation (RAG) for incorporating external context, multimodal reviews, Pydantic-based validation for structured inputs and outputs, and asynchronous programming for handling large-scale datasets. The framework is available on the GitHub repository, with detailed documentation and an installable package.

Retrieval-augmented generation (RAG) is a powerful technique that enhances downstream task execution by retrieving additional information, such as knowledge, skills, and tools from external sources. Graph, by its intrinsic "nodes connected by edges" nature, encodes massive heterogeneous and relational information, making it a golden resource for RAG in tremendous real-world applications. As a result, we have recently witnessed increasing attention on equipping RAG with Graph, i.e., GraphRAG. However, unlike conventional RAG, where the retriever, generator, and external data sources can be uniformly designed in the neural-embedding space, the uniqueness of graph-structured data, such as diverse-formatted and domain-specific relational knowledge, poses unique and significant challenges when designing GraphRAG for different domains. Given the broad applicability, the associated design challenges, and the recent surge in GraphRAG, a systematic and up-to-date survey of its key concepts and techniques is urgently desired. Following this motivation, we present a comprehensive and up-to-date survey on GraphRAG. Our survey first proposes a holistic GraphRAG framework by defining its key components, including query processor, retriever, organizer, generator, and data source. Furthermore, recognizing that graphs in different domains exhibit distinct relational patterns and require dedicated designs, we review GraphRAG techniques uniquely tailored to each domain. Finally, we discuss research challenges and brainstorm directions to inspire cross-disciplinary opportunities. Our survey repository is publicly maintained at https://github.com/Graph-RAG/GraphRAG/.

Retrieving and extracting knowledge from extensive research documents and large databases presents significant challenges for researchers, students, and professionals in today's information-rich era. Existing retrieval systems, which rely on general-purpose Large Language Models (LLMs), often fail to provide accurate responses to domain-specific inquiries. Additionally, the high cost of pretraining or fine-tuning LLMs for specific domains limits their widespread adoption. To address these limitations, we propose a novel methodology that combines the generative capabilities of LLMs with the fast and accurate retrieval capabilities of vector databases. This advanced retrieval system can efficiently handle both tabular and non-tabular data, understand natural language user queries, and retrieve relevant information without fine-tuning. The developed model, Generative Text Retrieval (GTR), is adaptable to both unstructured and structured data with minor refinement. GTR was evaluated on both manually annotated and public datasets, achieving over 90% accuracy and delivering truthful outputs in 87% of cases. Our model achieved state-of-the-art performance with a Rouge-L F1 score of 0.98 on the MSMARCO dataset. The refined model, Generative Tabular Text Retrieval (GTR-T), demonstrated its efficiency in large database querying, achieving an Execution Accuracy (EX) of 0.82 and an Exact-Set-Match (EM) accuracy of 0.60 on the Spider dataset, using an open-source LLM. These efforts leverage Generative AI and In-Context Learning to enhance human-text interaction and make advanced AI capabilities more accessible. By integrating robust retrieval systems with powerful LLMs, our approach aims to democratize access to sophisticated AI tools, improving the efficiency, accuracy, and scalability of AI-driven information retrieval and database querying.

Safe deployment of graph neural networks (GNNs) under distribution shift requires models to provide accurate confidence indicators (CI). However, while it is well-known in computer vision that CI quality diminishes under distribution shift, this behavior remains understudied for GNNs. Hence, we begin with a case study on CI calibration under controlled structural and feature distribution shifts and demonstrate that increased expressivity or model size do not always lead to improved CI performance. Consequently, we instead advocate for the use of epistemic uncertainty quantification (UQ) methods to modulate CIs. To this end, we propose G-DeltaUQ, a new single model UQ method that extends the recently proposed stochastic centering framework to support structured data and partial stochasticity. Evaluated across covariate, concept, and graph size shifts, G-DeltaUQ not only outperforms several popular UQ methods in obtaining calibrated CIs, but also outperforms alternatives when CIs are used for generalization gap prediction or OOD detection. Overall, our work not only introduces a new, flexible GNN UQ method, but also provides novel insights into GNN CIs on safety-critical tasks.

Log data have facilitated various tasks of software development and maintenance, such as testing, debugging and diagnosing. Due to the unstructured nature of logs, log parsing is typically required to transform log messages into structured data for automated log analysis. Given the abundance of log parsers that employ various techniques, evaluating these tools to comprehend their characteristics and performance becomes imperative. Loghub serves as a commonly used dataset for benchmarking log parsers, but it suffers from limited scale and representativeness, posing significant challenges for studies to comprehensively evaluate existing log parsers or develop new methods. This limitation is particularly pronounced when assessing these log parsers for production use. To address these limitations, we provide a new collection of annotated log datasets, denoted Loghub-2.0, which can better reflect the characteristics of log data in real-world software systems. Loghub-2.0 comprises 14 datasets with an average of 3.6 million log lines in each dataset. Based on Loghub-2.0, we conduct a thorough re-evaluation of 15 state-of-the-art log parsers in a more rigorous and practical setting. Particularly, we introduce a new evaluation metric to mitigate the sensitivity of existing metrics to imbalanced data distributions. We are also the first to investigate the granular performance of log parsers on logs that represent rare system events, offering in-depth details for software diagnosis. Accurately parsing such logs is essential, yet it remains a challenge. We believe this work could shed light on the evaluation and design of log parsers in practical settings, thereby facilitating their deployment in production systems.

Much of the previous work towards digital agents for graphical user interfaces (GUIs) has relied on text-based representations (derived from HTML or other structured data sources), which are not always readily available. These input representations have been often coupled with custom, task-specific action spaces. This paper focuses on creating agents that interact with the digital world using the same conceptual interface that humans commonly use -- via pixel-based screenshots and a generic action space corresponding to keyboard and mouse actions. Building upon recent progress in pixel-based pretraining, we show, for the first time, that it is possible for such agents to outperform human crowdworkers on the MiniWob++ benchmark of GUI-based instruction following tasks.

Attention-based graph neural networks (GNNs), such as graph attention networks (GATs), have become popular neural architectures for processing graph-structured data and learning node embeddings. Despite their empirical success, these models rely on labeled data and the theoretical properties of these models have yet to be fully understood. In this work, we propose a novel attention-based node embedding framework for graphs. Our framework builds upon a hierarchical kernel for multisets of subgraphs around nodes (e.g. neighborhoods) and each kernel leverages the geometry of a smooth statistical manifold to compare pairs of multisets, by "projecting" the multisets onto the manifold. By explicitly computing node embeddings with a manifold of Gaussian mixtures, our method leads to a new attention mechanism for neighborhood aggregation. We provide theoretical insights into generalizability and expressivity of our embeddings, contributing to a deeper understanding of attention-based GNNs. We propose both efficient unsupervised and supervised methods for learning the embeddings. Through experiments on several node classification benchmarks, we demonstrate that our proposed method outperforms existing attention-based graph models like GATs. Our code is available at https://github.com/BorgwardtLab/fisher_information_embedding.

It has been shown that a message passing neural networks (MPNNs), a popular family of neural networks for graph-structured data, are at most as expressive as the first-order Weisfeiler-Leman (1-WL) graph isomorphism test, which has motivated the development of more expressive architectures. In this work, we analyze if the limited expressiveness is actually a limiting factor for MPNNs and other WL-based models in standard graph datasets. Interestingly, we find that the expressiveness of WL is sufficient to identify almost all graphs in most datasets. Moreover, we find that the classification accuracy upper bounds are often close to 100\%. Furthermore, we find that simple WL-based neural networks and several MPNNs can be fitted to several datasets. In sum, we conclude that the performance of WL/MPNNs is not limited by their expressiveness in practice.

Radiology reports are one of the main forms of communication between radiologists and other clinicians and contain important information for patient care. In order to use this information for research and automated patient care programs, it is necessary to convert the raw text into structured data suitable for analysis. State-of-the-art natural language processing (NLP) domain-specific contextual word embeddings have been shown to achieve impressive accuracy for these tasks in medicine, but have yet to be utilized for section structure segmentation. In this work, we pre-trained a contextual embedding BERT model using breast radiology reports and developed a classifier that incorporated the embedding with auxiliary global textual features in order to perform section segmentation. This model achieved a 98% accuracy at segregating free text reports sentence by sentence into sections of information outlined in the Breast Imaging Reporting and Data System (BI-RADS) lexicon, a significant improvement over the Classic BERT model without auxiliary information. We then evaluated whether using section segmentation improved the downstream extraction of clinically relevant information such as modality/procedure, previous cancer, menopausal status, the purpose of the exam, breast density, and breast MRI background parenchymal enhancement. Using the BERT model pre-trained on breast radiology reports combined with section segmentation resulted in an overall accuracy of 95.9% in the field extraction tasks. This is a 17% improvement compared to an overall accuracy of 78.9% for field extraction with models using Classic BERT embeddings and not using section segmentation. Our work shows the strength of using BERT in radiology report analysis and the advantages of section segmentation in identifying key features of patient factors recorded in breast radiology reports.

The variational autoencoder (VAE) framework remains a popular option for training unsupervised generative models, especially for discrete data where generative adversarial networks (GANs) require workaround to create gradient for the generator. In our work modeling US postal addresses, we show that our discrete VAE with tree recursive architecture demonstrates limited capability of capturing field correlations within structured data, even after overcoming the challenge of posterior collapse with scheduled sampling and tuning of the KL-divergence weight beta. Worse, VAE seems to have difficulty mapping its generated samples to the latent space, as their VAE loss lags behind or even increases during the training process. Motivated by this observation, we show that augmenting training data with generated variants (augmented training) and training a VAE with multiple values of beta simultaneously (multiscale VAE) both improve the generation quality of VAE. Despite their differences in motivation and emphasis, we show that augmented training and multiscale VAE are actually connected and have similar effects on the model.

Graph generation is a critical task in numerous domains, including molecular design and social network analysis, due to its ability to model complex relationships and structured data. While most modern graph generative models utilize adjacency matrix representations, this work revisits an alternative approach that represents graphs as sequences of node set and edge set. We advocate for this approach due to its efficient encoding of graphs and propose a novel representation. Based on this representation, we introduce the Graph Generative Pre-trained Transformer (G2PT), an auto-regressive model that learns graph structures via next-token prediction. To further exploit G2PT's capabilities as a general-purpose foundation model, we explore fine-tuning strategies for two downstream applications: goal-oriented generation and graph property prediction. We conduct extensive experiments across multiple datasets. Results indicate that G2PT achieves superior generative performance on both generic graph and molecule datasets. Furthermore, G2PT exhibits strong adaptability and versatility in downstream tasks from molecular design to property prediction.

The surge of LLM studies makes synthesizing their findings challenging. Meta-analysis can uncover important trends across studies, but its use is limited by the time-consuming nature of manual data extraction. Our study presents a semi-automated approach for meta-analysis that accelerates data extraction using LLMs. It automatically identifies relevant arXiv papers, extracts experimental results and related attributes, and organizes them into a structured dataset. We conduct a comprehensive meta-analysis of frontier LLMs using an automatically extracted dataset, reducing the effort of paper surveying and data extraction by more than 93\% compared to manual approaches. We validate our dataset by showing that it reproduces key findings from a recent manual meta-analysis about Chain-of-Thought (CoT), and also uncovers new insights that go beyond it, showing for example that in-context examples benefit multimodal tasks but offer limited gains in mathematical tasks compared to CoT. Our automatically updatable dataset enables continuous tracking of target models by extracting evaluation studies as new data becomes available. Through our scientific artifacts and empirical analysis, we provide novel insights into LLMs while facilitating ongoing meta-analyses of their behavior.

Large Language Models (LLMs) have demonstrated strong reasoning capabilities across various tasks. However, even minor variations in query phrasing, despite preserving the underlying semantic meaning, can significantly affect their performance. To address this, we focus on enhancing LLMs' awareness of symmetry in query variations and propose syMmetry-ENhanceD (MEND) Data Augmentation, a data-centric approach that improves the model's ability to extract useful information from context. Unlike existing methods that emphasize reasoning chain augmentation, our approach improves model robustness at the knowledge extraction stage through query augmentations, enabling more data-efficient training and stronger generalization to Out-of-Distribution (OOD) settings. Extensive experiments on both logical and arithmetic reasoning tasks show that MEND enhances reasoning performance across diverse query variations, providing new insight into improving LLM robustness through structured dataset curation.

Understanding historical and cultural artifacts demands human expertise and advanced computational techniques, yet the process remains complex and time-intensive. While large multimodal models offer promising support, their evaluation and improvement require a standardized benchmark. To address this, we introduce TimeTravel, a benchmark of 10,250 expert-verified samples spanning 266 distinct cultures across 10 major historical regions. Designed for AI-driven analysis of manuscripts, artworks, inscriptions, and archaeological discoveries, TimeTravel provides a structured dataset and robust evaluation framework to assess AI models' capabilities in classification, interpretation, and historical comprehension. By integrating AI with historical research, TimeTravel fosters AI-powered tools for historians, archaeologists, researchers, and cultural tourists to extract valuable insights while ensuring technology contributes meaningfully to historical discovery and cultural heritage preservation. We evaluate contemporary AI models on TimeTravel, highlighting their strengths and identifying areas for improvement. Our goal is to establish AI as a reliable partner in preserving cultural heritage, ensuring that technological advancements contribute meaningfully to historical discovery. Our code is available at: https://github.com/mbzuai-oryx/TimeTravel.

Many existing end-to-end systems for hybrid question answering tasks can often be boiled down to a "prompt-and-pray" paradigm, where the user has limited control and insight into the intermediate reasoning steps used to achieve the final result. Additionally, due to the context size limitation of many transformer-based LLMs, it is often not reasonable to expect that the full structured and unstructured context will fit into a given prompt in a zero-shot setting, let alone a few-shot setting. We introduce BlendSQL, a superset of SQLite to act as a unified dialect for orchestrating reasoning across both unstructured and structured data. For hybrid question answering tasks involving multi-hop reasoning, we encode the full decomposed reasoning roadmap into a single interpretable BlendSQL query. Notably, we show that BlendSQL can scale to massive datasets and improve the performance of end-to-end systems while using 35% fewer tokens. Our code is available and installable as a package at https://github.com/parkervg/blendsql.

Modern techniques like contrastive learning have been effectively used in many areas, including computer vision, natural language processing, and graph-structured data. Creating positive examples that assist the model in learning robust and discriminative representations is a crucial stage in contrastive learning approaches. Usually, preset human intuition directs the selection of relevant data augmentations. Due to patterns that are easily recognized by humans, this rule of thumb works well in the vision and language domains. However, it is impractical to visually inspect the temporal structures in time series. The diversity of time series augmentations at both the dataset and instance levels makes it difficult to choose meaningful augmentations on the fly. In this study, we address this gap by analyzing time series data augmentation using information theory and summarizing the most commonly adopted augmentations in a unified format. We then propose a contrastive learning framework with parametric augmentation, AutoTCL, which can be adaptively employed to support time series representation learning. The proposed approach is encoder-agnostic, allowing it to be seamlessly integrated with different backbone encoders. Experiments on univariate forecasting tasks demonstrate the highly competitive results of our method, with an average 6.5\% reduction in MSE and 4.7\% in MAE over the leading baselines. In classification tasks, AutoTCL achieves a 1.2% increase in average accuracy.

Conversational question answering systems often rely on semantic parsing to enable interactive information retrieval, which involves the generation of structured database queries from a natural language input. For information-seeking conversations about facts stored within a knowledge graph, dialogue utterances are transformed into graph queries in a process that is called knowledge-based conversational question answering. This paper evaluates the performance of large language models that have not been explicitly pre-trained on this task. Through a series of experiments on an extensive benchmark dataset, we compare models of varying sizes with different prompting techniques and identify common issue types in the generated output. Our results demonstrate that large language models are capable of generating graph queries from dialogues, with significant improvements achievable through few-shot prompting and fine-tuning techniques, especially for smaller models that exhibit lower zero-shot performance.

Recent work in Natural Language Processing and Computer Vision has been using textual information -- e.g., entity names and descriptions -- available in knowledge graphs to ground neural models to high-quality structured data. However, when it comes to non-English languages, the quantity and quality of textual information are comparatively scarce. To address this issue, we introduce the novel task of automatic Knowledge Graph Enhancement (KGE) and perform a thorough investigation on bridging the gap in both the quantity and quality of textual information between English and non-English languages. More specifically, we: i) bring to light the problem of increasing multilingual coverage and precision of entity names and descriptions in Wikidata; ii) demonstrate that state-of-the-art methods, namely, Machine Translation (MT), Web Search (WS), and Large Language Models (LLMs), struggle with this task; iii) present M-NTA, a novel unsupervised approach that combines MT, WS, and LLMs to generate high-quality textual information; and, iv) study the impact of increasing multilingual coverage and precision of non-English textual information in Entity Linking, Knowledge Graph Completion, and Question Answering. As part of our effort towards better multilingual knowledge graphs, we also introduce WikiKGE-10, the first human-curated benchmark to evaluate KGE approaches in 10 languages across 7 language families.

Despite the significant recent progress in deep generative models, the underlying structure of their latent spaces is still poorly understood, thereby making the task of performing semantically meaningful latent traversals an open research challenge. Most prior work has aimed to solve this challenge by modeling latent structures linearly, and finding corresponding linear directions which result in `disentangled' generations. In this work, we instead propose to model latent structures with a learned dynamic potential landscape, thereby performing latent traversals as the flow of samples down the landscape's gradient. Inspired by physics, optimal transport, and neuroscience, these potential landscapes are learned as physically realistic partial differential equations, thereby allowing them to flexibly vary over both space and time. To achieve disentanglement, multiple potentials are learned simultaneously, and are constrained by a classifier to be distinct and semantically self-consistent. Experimentally, we demonstrate that our method achieves both more qualitatively and quantitatively disentangled trajectories than state-of-the-art baselines. Further, we demonstrate that our method can be integrated as a regularization term during training, thereby acting as an inductive bias towards the learning of structured representations, ultimately improving model likelihood on similarly structured data.

In molecular research, simulation \& design of molecules are key areas with significant implications for drug development, material science, and other fields. Current classical computational power falls inadequate to simulate any more than small molecules, let alone protein chains on hundreds of peptide. Therefore these experiment are done physically in wet-lab, but it takes a lot of time \& not possible to examine every molecule due to the size of the search area, tens of billions of dollars are spent every year in these research experiments. Molecule simulation \& design has lately advanced significantly by machine learning models, A fresh perspective on the issue of chemical synthesis is provided by deep generative models for graph-structured data. By optimising differentiable models that produce molecular graphs directly, it is feasible to avoid costly search techniques in the discrete and huge space of chemical structures. But these models also suffer from computational limitations when dimensions become huge and consume huge amount of resources. Quantum Generative machine learning in recent years have shown some empirical results promising significant advantages over classical counterparts.

We consider dense, associative neural-networks trained by a teacher (i.e., with supervision) and we investigate their computational capabilities analytically, via statistical-mechanics of spin glasses, and numerically, via Monte Carlo simulations. In particular, we obtain a phase diagram summarizing their performance as a function of the control parameters such as quality and quantity of the training dataset, network storage and noise, that is valid in the limit of large network size and structureless datasets: these networks may work in a ultra-storage regime (where they can handle a huge amount of patterns, if compared with shallow neural networks) or in a ultra-detection regime (where they can perform pattern recognition at prohibitive signal-to-noise ratios, if compared with shallow neural networks). Guided by the random theory as a reference framework, we also test numerically learning, storing and retrieval capabilities shown by these networks on structured datasets as MNist and Fashion MNist. As technical remarks, from the analytic side, we implement large deviations and stability analysis within Guerra's interpolation to tackle the not-Gaussian distributions involved in the post-synaptic potentials while, from the computational counterpart, we insert Plefka approximation in the Monte Carlo scheme, to speed up the evaluation of the synaptic tensors, overall obtaining a novel and broad approach to investigate supervised learning in neural networks, beyond the shallow limit, in general.

The Transformer architecture has become a dominant choice in many domains, such as natural language processing and computer vision. Yet, it has not achieved competitive performance on popular leaderboards of graph-level prediction compared to mainstream GNN variants. Therefore, it remains a mystery how Transformers could perform well for graph representation learning. In this paper, we solve this mystery by presenting Graphormer, which is built upon the standard Transformer architecture, and could attain excellent results on a broad range of graph representation learning tasks, especially on the recent OGB Large-Scale Challenge. Our key insight to utilizing Transformer in the graph is the necessity of effectively encoding the structural information of a graph into the model. To this end, we propose several simple yet effective structural encoding methods to help Graphormer better model graph-structured data. Besides, we mathematically characterize the expressive power of Graphormer and exhibit that with our ways of encoding the structural information of graphs, many popular GNN variants could be covered as the special cases of Graphormer.

A model involving Gaussian processes (GPs) is introduced to simultaneously handle multi-task learning, clustering, and prediction for multiple functional data. This procedure acts as a model-based clustering method for functional data as well as a learning step for subsequent predictions for new tasks. The model is instantiated as a mixture of multi-task GPs with common mean processes. A variational EM algorithm is derived for dealing with the optimisation of the hyper-parameters along with the hyper-posteriors' estimation of latent variables and processes. We establish explicit formulas for integrating the mean processes and the latent clustering variables within a predictive distribution, accounting for uncertainty on both aspects. This distribution is defined as a mixture of cluster-specific GP predictions, which enhances the performances when dealing with group-structured data. The model handles irregular grid of observations and offers different hypotheses on the covariance structure for sharing additional information across tasks. The performances on both clustering and prediction tasks are assessed through various simulated scenarios and real datasets. The overall algorithm, called MagmaClust, is publicly available as an R package.

Metadata are general characteristics of the data in a well-curated and condensed format, and have been proven to be useful for decision making, knowledge discovery, and also heterogeneous data organization of biobank. Among all data types in the biobank, pathology is the key component of the biobank and also serves as the gold standard of diagnosis. To maximize the utility of biobank and allow the rapid progress of biomedical science, it is essential to organize the data with well-populated pathology metadata. However, manual annotation of such information is tedious and time-consuming. In the study, we develop a multimodal multitask learning framework to predict four major slide-level metadata of pathology images. The framework learns generalizable representations across tissue slides, pathology reports, and case-level structured data. We demonstrate improved performance across all four tasks with the proposed method compared to a single modal single task baseline on two test sets, one external test set from a distinct data source (TCGA) and one internal held-out test set (TTH). In the test sets, the performance improvements on the averaged area under receiver operating characteristic curve across the four tasks are 16.48% and 9.05% on TCGA and TTH, respectively. Such pathology metadata prediction system may be adopted to mitigate the effort of expert annotation and ultimately accelerate the data-driven research by better utilization of the pathology biobank.

This paper introduces LongBench v2, a benchmark designed to assess the ability of LLMs to handle long-context problems requiring deep understanding and reasoning across real-world multitasks. LongBench v2 consists of 503 challenging multiple-choice questions, with contexts ranging from 8k to 2M words, across six major task categories: single-document QA, multi-document QA, long in-context learning, long-dialogue history understanding, code repository understanding, and long structured data understanding. To ensure the breadth and the practicality, we collect data from nearly 100 highly educated individuals with diverse professional backgrounds. We employ both automated and manual review processes to maintain high quality and difficulty, resulting in human experts achieving only 53.7% accuracy under a 15-minute time constraint. Our evaluation reveals that the best-performing model, when directly answers the questions, achieves only 50.1% accuracy. In contrast, the o1-preview model, which includes longer reasoning, achieves 57.7%, surpassing the human baseline by 4%. These results highlight the importance of enhanced reasoning ability and scaling inference-time compute to tackle the long-context challenges in LongBench v2. The project is available at https://longbench2.github.io.

We present MapReader, a free, open-source software library written in Python for analyzing large map collections (scanned or born-digital). This library transforms the way historians can use maps by turning extensive, homogeneous map sets into searchable primary sources. MapReader allows users with little or no computer vision expertise to i) retrieve maps via web-servers; ii) preprocess and divide them into patches; iii) annotate patches; iv) train, fine-tune, and evaluate deep neural network models; and v) create structured data about map content. We demonstrate how MapReader enables historians to interpret a collection of approx16K nineteenth-century Ordnance Survey map sheets (approx30.5M patches), foregrounding the challenge of translating visual markers into machine-readable data. We present a case study focusing on British rail infrastructure and buildings as depicted on these maps. We also show how the outputs from the MapReader pipeline can be linked to other, external datasets, which we use to evaluate as well as enrich and interpret the results. We release approx62K manually annotated patches used here for training and evaluating the models.

Existing full text datasets of U.S. public domain newspapers do not recognize the often complex layouts of newspaper scans, and as a result the digitized content scrambles texts from articles, headlines, captions, advertisements, and other layout regions. OCR quality can also be low. This study develops a novel, deep learning pipeline for extracting full article texts from newspaper images and applies it to the nearly 20 million scans in Library of Congress's public domain Chronicling America collection. The pipeline includes layout detection, legibility classification, custom OCR, and association of article texts spanning multiple bounding boxes. To achieve high scalability, it is built with efficient architectures designed for mobile phones. The resulting American Stories dataset provides high quality data that could be used for pre-training a large language model to achieve better understanding of historical English and historical world knowledge. The dataset could also be added to the external database of a retrieval-augmented language model to make historical information - ranging from interpretations of political events to minutiae about the lives of people's ancestors - more widely accessible. Furthermore, structured article texts facilitate using transformer-based methods for popular social science applications like topic classification, detection of reproduced content, and news story clustering. Finally, American Stories provides a massive silver quality dataset for innovating multimodal layout analysis models and other multimodal applications.

Procedures are inherently hierarchical. To "make videos", one may need to "purchase a camera", which in turn may require one to "set a budget". While such hierarchical knowledge is critical for reasoning about complex procedures, most existing work has treated procedures as shallow structures without modeling the parent-child relation. In this work, we attempt to construct an open-domain hierarchical knowledge-base (KB) of procedures based on wikiHow, a website containing more than 110k instructional articles, each documenting the steps to carry out a complex procedure. To this end, we develop a simple and efficient method that links steps (e.g., "purchase a camera") in an article to other articles with similar goals (e.g., "how to choose a camera"), recursively constructing the KB. Our method significantly outperforms several strong baselines according to automatic evaluation, human judgment, and application to downstream tasks such as instructional video retrieval. A demo with partial data can be found at https://wikihow-hierarchy.github.io. The code and the data are at https://github.com/shuyanzhou/wikihow_hierarchy.

Tabular data -- structured, heterogeneous, spreadsheet-style data with rows and columns -- is widely used in practice across many domains. However, while recent foundation models have reduced the need for developing task-specific datasets and predictors in domains such as language modeling and computer vision, this transfer learning paradigm has not had similar impact in the tabular domain. In this work, we seek to narrow this gap and present TabuLa-8B, a language model for tabular prediction. We define a process for extracting a large, high-quality training dataset from the TabLib corpus, proposing methods for tabular data filtering and quality control. Using the resulting dataset, which comprises over 1.6B rows from 3.1M unique tables, we fine-tune a Llama 3-8B large language model (LLM) for tabular data prediction (classification and binned regression) using a novel packing and attention scheme for tabular prediction. Through evaluation across a test suite of 329 datasets, we find that TabuLa-8B has zero-shot accuracy on unseen tables that is over 15 percentage points (pp) higher than random guessing, a feat that is not possible with existing state-of-the-art tabular prediction models (e.g. XGBoost, TabPFN). In the few-shot setting (1-32 shots), without any fine-tuning on the target datasets, TabuLa-8B is 5-15 pp more accurate than XGBoost and TabPFN models that are explicitly trained on equal, or even up to 16x more data. We release our model, code, and data along with the publication of this paper.

This paper introduces Graph Convolutional Recurrent Network (GCRN), a deep learning model able to predict structured sequences of data. Precisely, GCRN is a generalization of classical recurrent neural networks (RNN) to data structured by an arbitrary graph. Such structured sequences can represent series of frames in videos, spatio-temporal measurements on a network of sensors, or random walks on a vocabulary graph for natural language modeling. The proposed model combines convolutional neural networks (CNN) on graphs to identify spatial structures and RNN to find dynamic patterns. We study two possible architectures of GCRN, and apply the models to two practical problems: predicting moving MNIST data, and modeling natural language with the Penn Treebank dataset. Experiments show that exploiting simultaneously graph spatial and dynamic information about data can improve both precision and learning speed.

Large Language Models (LLMs) are foundational to AI advancements, facilitating applications like predictive text generation. Nonetheless, they pose risks by potentially memorizing and disseminating sensitive, biased, or copyrighted information from their vast datasets. Machine unlearning emerges as a cutting-edge solution to mitigate these concerns, offering techniques for LLMs to selectively discard certain data. This paper reviews the latest in machine unlearning for LLMs, introducing methods for the targeted forgetting of information to address privacy, ethical, and legal challenges without necessitating full model retraining. It divides existing research into unlearning from unstructured/textual data and structured/classification data, showcasing the effectiveness of these approaches in removing specific data while maintaining model efficacy. Highlighting the practicality of machine unlearning, this analysis also points out the hurdles in preserving model integrity, avoiding excessive or insufficient data removal, and ensuring consistent outputs, underlining the role of machine unlearning in advancing responsible, ethical AI.

In the domain of data science, the predictive tasks of classification, regression, and imputation of missing values are commonly encountered challenges associated with tabular data. This research endeavors to apply Large Language Models (LLMs) towards addressing these predictive tasks. Despite their proficiency in comprehending natural language, LLMs fall short in dealing with structured tabular data. This limitation stems from their lacking exposure to the intricacies of tabular data during their foundational training. Our research aims to mitigate this gap by compiling a comprehensive corpus of tables annotated with instructions and executing large-scale training of Llama-2 on this enriched dataset. Furthermore, we investigate the practical application of applying the trained model to zero-shot prediction, few-shot prediction, and in-context learning scenarios. Through extensive experiments, our methodology has shown significant improvements over existing benchmarks. These advancements highlight the efficacy of tailoring LLM training to solve table-related problems in data science, thereby establishing a new benchmark in the utilization of LLMs for enhancing tabular intelligence.

In a rapidly evolving knowledge landscape and the increasing adoption of large language models, a need has emerged to keep these models continuously updated with current events. While existing benchmarks evaluate general factual recall, they often overlook two critical aspects: the ability of models to integrate evolving knowledge through continual learning and the significant regional disparities in their performance. To address these gaps, we introduce the Timely Events Benchmark (TiEBe), a dataset containing over 11,000 question-answer pairs focused on globally and regionally significant events. TiEBe leverages structured retrospective data from Wikipedia, enabling continuous updates to assess LLMs' knowledge of evolving global affairs and their understanding of events across different regions. Our benchmark demonstrates that LLMs exhibit substantial geographic disparities in factual recall, emphasizing the need for more balanced global knowledge representation. Furthermore, TiEBe serves as a tool for evaluating continual learning strategies, providing insights into models' ability to acquire new information without forgetting past knowledge.

We present a new text-to-SQL dataset for electronic health records (EHRs). The utterances were collected from 222 hospital staff members, including physicians, nurses, and insurance review and health records teams. To construct the QA dataset on structured EHR data, we conducted a poll at a university hospital and used the responses to create seed questions. We then manually linked these questions to two open-source EHR databases, MIMIC-III and eICU, and included various time expressions and held-out unanswerable questions in the dataset, which were also collected from the poll. Our dataset poses a unique set of challenges: the model needs to 1) generate SQL queries that reflect a wide range of needs in the hospital, including simple retrieval and complex operations such as calculating survival rate, 2) understand various time expressions to answer time-sensitive questions in healthcare, and 3) distinguish whether a given question is answerable or unanswerable. We believe our dataset, EHRSQL, can serve as a practical benchmark for developing and assessing QA models on structured EHR data and take a step further towards bridging the gap between text-to-SQL research and its real-life deployment in healthcare. EHRSQL is available at https://github.com/glee4810/EHRSQL.

While multi-modal models have successfully integrated information from image, video, and audio modalities, integrating graph modality into large language models (LLMs) remains unexplored. This discrepancy largely stems from the inherent divergence between structured graph data and unstructured text data. Incorporating graph knowledge provides a reliable source of information, enabling potential solutions to address issues in text generation, e.g., hallucination, and lack of domain knowledge. To evaluate the integration of graph knowledge into language models, a dedicated dataset is needed. However, there is currently no benchmark dataset specifically designed for multimodal graph-language models. To address this gap, we propose GraphextQA, a question answering dataset with paired subgraphs, retrieved from Wikidata, to facilitate the evaluation and future development of graph-language models. Additionally, we introduce a baseline model called CrossGNN, which conditions answer generation on the paired graphs by cross-attending question-aware graph features at decoding. The proposed dataset is designed to evaluate graph-language models' ability to understand graphs and make use of it for answer generation. We perform experiments with language-only models and the proposed graph-language model to validate the usefulness of the paired graphs and to demonstrate the difficulty of the task.

Understanding causal narratives communicated in clinical notes can help make strides towards personalized healthcare. Extracted causal information from clinical notes can be combined with structured EHR data such as patients' demographics, diagnoses, and medications. This will enhance healthcare providers' ability to identify aspects of a patient's story communicated in the clinical notes and help make more informed decisions. In this work, we propose annotation guidelines, develop an annotated corpus and provide baseline scores to identify types and direction of causal relations between a pair of biomedical concepts in clinical notes; communicated implicitly or explicitly, identified either in a single sentence or across multiple sentences. We annotate a total of 2714 de-identified examples sampled from the 2018 n2c2 shared task dataset and train four different language model based architectures. Annotation based on our guidelines achieved a high inter-annotator agreement i.e. Fleiss' kappa (kappa) score of 0.72, and our model for identification of causal relations achieved a macro F1 score of 0.56 on the test data. The high inter-annotator agreement for clinical text shows the quality of our annotation guidelines while the provided baseline F1 score sets the direction for future research towards understanding narratives in clinical texts.

Large language models (LLMs) are expected to follow instructions from users and engage in conversations. Techniques to enhance LLMs' instruction-following capabilities typically fine-tune them using data structured according to a predefined chat template. Although chat templates are shown to be effective in optimizing LLM performance, their impact on safety alignment of LLMs has been less understood, which is crucial for deploying LLMs safely at scale. In this paper, we investigate how chat templates affect safety alignment of LLMs. We identify a common vulnerability, named ChatBug, that is introduced by chat templates. Our key insight to identify ChatBug is that the chat templates provide a rigid format that need to be followed by LLMs, but not by users. Hence, a malicious user may not necessarily follow the chat template when prompting LLMs. Instead, malicious users could leverage their knowledge of the chat template and accordingly craft their prompts to bypass safety alignments of LLMs. We develop two attacks to exploit the ChatBug vulnerability. We demonstrate that a malicious user can exploit the ChatBug vulnerability of eight state-of-the-art (SOTA) LLMs and effectively elicit unintended responses from these models. Moreover, we show that ChatBug can be exploited by existing jailbreak attacks to enhance their attack success rates. We investigate potential countermeasures to ChatBug. Our results show that while adversarial training effectively mitigates the ChatBug vulnerability, the victim model incurs significant performance degradation. These results highlight the trade-off between safety alignment and helpfulness. Developing new methods for instruction tuning to balance this trade-off is an open and critical direction for future research

The dominant paradigm for instruction tuning is the random-shuffled training of maximally diverse instruction-response pairs. This paper explores the potential benefits of applying a structured cognitive learning approach to instruction tuning in contemporary large language models like ChatGPT and GPT-4. Unlike the previous conventional randomized instruction dataset, we propose a highly structured synthetic dataset that mimics the progressive and organized nature of human education. We curate our dataset by aligning it with educational frameworks, incorporating meta information including its topic and cognitive rigor level for each sample. Our dataset covers comprehensive fine-grained topics spanning diverse educational stages (from middle school to graduate school) with various questions for each topic to enhance conceptual depth using Bloom's taxonomy-a classification framework distinguishing various levels of human cognition for each concept. The results demonstrate that this cognitive rigorous training approach yields significant performance enhancements - +3.06 on the MMLU benchmark and an additional +1.28 on AI2 Reasoning Challenge (hard set) - compared to conventional randomized training, all while avoiding additional computational costs. This research highlights the potential of leveraging human learning principles to enhance the capabilities of language models in comprehending and responding to complex instructions and tasks.

Question generation (QG) from a given context can enhance comprehension, engagement, assessment, and overall efficacy in learning or conversational environments. Despite recent advancements in QG, the challenge of enhancing or measuring the diversity of generated questions often remains unaddressed. In this paper, we introduce a multi-question generation model (mQG), which is capable of generating multiple, diverse, and answerable questions by focusing on context and questions. To validate the answerability of the generated questions, we employ a SQuAD2.0 fine-tuned question answering model, classifying the questions as answerable or not. We train and evaluate mQG on the FairytaleQA dataset, a well-structured QA dataset based on storybooks, with narrative questions. We further apply a zero-shot adaptation on the TellMeWhy and SQuAD1.1 datasets. mQG shows promising results across various evaluation metrics, among strong baselines.

Large Language Models (LLMs) demonstrate enhanced capabilities and reliability by reasoning more, evolving from Chain-of-Thought prompting to product-level solutions like OpenAI o1. Despite various efforts to improve LLM reasoning, high-quality long-chain reasoning data and optimized training pipelines still remain inadequately explored in vision-language tasks. In this paper, we present Insight-V, an early effort to 1) scalably produce long and robust reasoning data for complex multi-modal tasks, and 2) an effective training pipeline to enhance the reasoning capabilities of multi-modal large language models (MLLMs). Specifically, to create long and structured reasoning data without human labor, we design a two-step pipeline with a progressive strategy to generate sufficiently long and diverse reasoning paths and a multi-granularity assessment method to ensure data quality. We observe that directly supervising MLLMs with such long and complex reasoning data will not yield ideal reasoning ability. To tackle this problem, we design a multi-agent system consisting of a reasoning agent dedicated to performing long-chain reasoning and a summary agent trained to judge and summarize reasoning results. We further incorporate an iterative DPO algorithm to enhance the reasoning agent's generation stability and quality. Based on the popular LLaVA-NeXT model and our stronger base MLLM, we demonstrate significant performance gains across challenging multi-modal benchmarks requiring visual reasoning. Benefiting from our multi-agent system, Insight-V can also easily maintain or improve performance on perception-focused multi-modal tasks.

Scene Text Recognition (STR) is an important and challenging upstream task for building structured information databases, that involves recognizing text within images of natural scenes. Although current state-of-the-art (SOTA) models for STR exhibit high performance, they typically suffer from low inference efficiency due to their reliance on hybrid architectures comprised of visual encoders and sequence decoders. In this work, we propose a VIsion Permutable extractor for fast and efficient Scene Text Recognition (SVIPTR), which achieves an impressive balance between high performance and rapid inference speeds in the domain of STR. Specifically, SVIPTR leverages a visual-semantic extractor with a pyramid structure, characterized by the Permutation and combination of local and global self-attention layers. This design results in a lightweight and efficient model and its inference is insensitive to input length. Extensive experimental results on various standard datasets for both Chinese and English scene text recognition validate the superiority of SVIPTR. Notably, the SVIPTR-T (Tiny) variant delivers highly competitive accuracy on par with other lightweight models and achieves SOTA inference speeds. Meanwhile, the SVIPTR-L (Large) attains SOTA accuracy in single-encoder-type models, while maintaining a low parameter count and favorable inference speed. Our proposed method provides a compelling solution for the STR challenge, which greatly benefits real-world applications requiring fast and efficient STR. The code is publicly available at https://github.com/cxfyxl/VIPTR.

Multiple business scenarios require an automated generation of descriptive human-readable text from structured input data. Hence, fact-to-text generation systems have been developed for various downstream tasks like generating soccer reports, weather and financial reports, medical reports, person biographies, etc. Unfortunately, previous work on fact-to-text (F2T) generation has focused primarily on English mainly due to the high availability of relevant datasets. Only recently, the problem of cross-lingual fact-to-text (XF2T) was proposed for generation across multiple languages alongwith a dataset, XALIGN for eight languages. However, there has been no rigorous work on the actual XF2T generation problem. We extend XALIGN dataset with annotated data for four more languages: Punjabi, Malayalam, Assamese and Oriya. We conduct an extensive study using popular Transformer-based text generation models on our extended multi-lingual dataset, which we call XALIGNV2. Further, we investigate the performance of different text generation strategies: multiple variations of pretraining, fact-aware embeddings and structure-aware input encoding. Our extensive experiments show that a multi-lingual mT5 model which uses fact-aware embeddings with structure-aware input encoding leads to best results on average across the twelve languages. We make our code, dataset and model publicly available, and hope that this will help advance further research in this critical area.

Table reasoning is a challenging task that requires understanding both natural language questions and structured tabular data. Large language models (LLMs) have shown impressive capabilities in natural language understanding and generation, but they often struggle with large tables due to their limited input length. In this paper, we propose TabSQLify, a novel method that leverages text-to-SQL generation to decompose tables into smaller and relevant sub-tables, containing only essential information for answering questions or verifying statements, before performing the reasoning task. In our comprehensive evaluation on four challenging datasets, our approach demonstrates comparable or superior performance compared to prevailing methods reliant on full tables as input. Moreover, our method can reduce the input context length significantly, making it more scalable and efficient for large-scale table reasoning applications. Our method performs remarkably well on the WikiTQ benchmark, achieving an accuracy of 64.7%. Additionally, on the TabFact benchmark, it achieves a high accuracy of 79.5%. These results surpass other LLM-based baseline models on gpt-3.5-turbo (chatgpt). TabSQLify can reduce the table size significantly alleviating the computational load on LLMs when handling large tables without compromising performance.

Recent progress in language model pre-training has achieved a great success via leveraging large-scale unstructured textual data. However, it is still a challenge to apply pre-training on structured tabular data due to the absence of large-scale high-quality tabular data. In this paper, we propose TAPEX to show that table pre-training can be achieved by learning a neural SQL executor over a synthetic corpus, which is obtained by automatically synthesizing executable SQL queries and their execution outputs. TAPEX addresses the data scarcity challenge via guiding the language model to mimic a SQL executor on the diverse, large-scale and high-quality synthetic corpus. We evaluate TAPEX on four benchmark datasets. Experimental results demonstrate that TAPEX outperforms previous table pre-training approaches by a large margin and achieves new state-of-the-art results on all of them. This includes the improvements on the weakly-supervised WikiSQL denotation accuracy to 89.5% (+2.3%), the WikiTableQuestions denotation accuracy to 57.5% (+4.8%), the SQA denotation accuracy to 74.5% (+3.5%), and the TabFact accuracy to 84.2% (+3.2%). To our knowledge, this is the first work to exploit table pre-training via synthetic executable programs and to achieve new state-of-the-art results on various downstream tasks. Our code can be found at https://github.com/microsoft/Table-Pretraining.

Large Language Models (LLMs) trained on large volumes of data excel at various natural language tasks, but they cannot handle tasks requiring knowledge that has not been trained on previously. One solution is to use a retriever that fetches relevant information to expand LLM's knowledge scope. However, existing textual-oriented retrieval-based LLMs are not ideal on structured table data due to diversified data modalities and large table sizes. In this work, we propose OpenTab, an open-domain table reasoning framework powered by LLMs. Overall, OpenTab leverages table retriever to fetch relevant tables and then generates SQL programs to parse the retrieved tables efficiently. Utilizing the intermediate data derived from the SQL executions, it conducts grounded inference to produce accurate response. Extensive experimental evaluation shows that OpenTab significantly outperforms baselines in both open- and closed-domain settings, achieving up to 21.5% higher accuracy. We further run ablation studies to validate the efficacy of our proposed designs of the system.

Controllable layout generation aims at synthesizing plausible arrangement of element bounding boxes with optional constraints, such as type or position of a specific element. In this work, we try to solve a broad range of layout generation tasks in a single model that is based on discrete state-space diffusion models. Our model, named LayoutDM, naturally handles the structured layout data in the discrete representation and learns to progressively infer a noiseless layout from the initial input, where we model the layout corruption process by modality-wise discrete diffusion. For conditional generation, we propose to inject layout constraints in the form of masking or logit adjustment during inference. We show in the experiments that our LayoutDM successfully generates high-quality layouts and outperforms both task-specific and task-agnostic baselines on several layout tasks.

We propose KnowGL, a tool that allows converting text into structured relational data represented as a set of ABox assertions compliant with the TBox of a given Knowledge Graph (KG), such as Wikidata. We address this problem as a sequence generation task by leveraging pre-trained sequence-to-sequence language models, e.g. BART. Given a sentence, we fine-tune such models to detect pairs of entity mentions and jointly generate a set of facts consisting of the full set of semantic annotations for a KG, such as entity labels, entity types, and their relationships. To showcase the capabilities of our tool, we build a web application consisting of a set of UI widgets that help users to navigate through the semantic data extracted from a given input text. We make the KnowGL model available at https://huggingface.co/ibm/knowgl-large.

We introduce PyTorch Geometric, a library for deep learning on irregularly structured input data such as graphs, point clouds and manifolds, built upon PyTorch. In addition to general graph data structures and processing methods, it contains a variety of recently published methods from the domains of relational learning and 3D data processing. PyTorch Geometric achieves high data throughput by leveraging sparse GPU acceleration, by providing dedicated CUDA kernels and by introducing efficient mini-batch handling for input examples of different size. In this work, we present the library in detail and perform a comprehensive comparative study of the implemented methods in homogeneous evaluation scenarios.

Table-based reasoning with large language models (LLMs) is a promising direction to tackle many table understanding tasks, such as table-based question answering and fact verification. Compared with generic reasoning, table-based reasoning requires the extraction of underlying semantics from both free-form questions and semi-structured tabular data. Chain-of-Thought and its similar approaches incorporate the reasoning chain in the form of textual context, but it is still an open question how to effectively leverage tabular data in the reasoning chain. We propose the Chain-of-Table framework, where tabular data is explicitly used in the reasoning chain as a proxy for intermediate thoughts. Specifically, we guide LLMs using in-context learning to iteratively generate operations and update the table to represent a tabular reasoning chain. LLMs can therefore dynamically plan the next operation based on the results of the previous ones. This continuous evolution of the table forms a chain, showing the reasoning process for a given tabular problem. The chain carries structured information of the intermediate results, enabling more accurate and reliable predictions. Chain-of-Table achieves new state-of-the-art performance on WikiTQ, FeTaQA, and TabFact benchmarks across multiple LLM choices.

Recommendation is the task of ranking items (e.g. movies or products) according to individual user needs. Current systems rely on collaborative filtering and content-based techniques, which both require structured training data. We propose a framework for recommendation with off-the-shelf pretrained language models (LM) that only used unstructured text corpora as training data. If a user u liked Matrix and Inception, we construct a textual prompt, e.g. "Movies like Matrix, Inception, {<m{>}"} to estimate the affinity between u and m with LM likelihood. We motivate our idea with a corpus analysis, evaluate several prompt structures, and we compare LM-based recommendation with standard matrix factorization trained on different data regimes. The code for our experiments is publicly available (https://colab.research.google.com/drive/1f1mlZ-FGaLGdo5rPzxf3vemKllbh2esT?usp=sharing).

We introduce Zep, a novel memory layer service for AI agents that outperforms the current state-of-the-art system, MemGPT, in the Deep Memory Retrieval (DMR) benchmark. Additionally, Zep excels in more comprehensive and challenging evaluations than DMR that better reflect real-world enterprise use cases. While existing retrieval-augmented generation (RAG) frameworks for large language model (LLM)-based agents are limited to static document retrieval, enterprise applications demand dynamic knowledge integration from diverse sources including ongoing conversations and business data. Zep addresses this fundamental limitation through its core component Graphiti -- a temporally-aware knowledge graph engine that dynamically synthesizes both unstructured conversational data and structured business data while maintaining historical relationships. In the DMR benchmark, which the MemGPT team established as their primary evaluation metric, Zep demonstrates superior performance (94.8% vs 93.4%). Beyond DMR, Zep's capabilities are further validated through the more challenging LongMemEval benchmark, which better reflects enterprise use cases through complex temporal reasoning tasks. In this evaluation, Zep achieves substantial results with accuracy improvements of up to 18.5% while simultaneously reducing response latency by 90% compared to baseline implementations. These results are particularly pronounced in enterprise-critical tasks such as cross-session information synthesis and long-term context maintenance, demonstrating Zep's effectiveness for deployment in real-world applications.

In recent years, there has been a significant increase in the utilization of deep learning methods, particularly convolutional neural networks (CNNs), which have emerged as the dominant approach in various domains that involve structured grid data, such as picture analysis and processing. Nevertheless, the exponential growth in the utilization of LiDAR and 3D sensors across many domains has resulted in an increased need for the analysis of 3D point clouds. The utilization of 3D point clouds is crucial in various applications, including object recognition and segmentation, as they offer a spatial depiction of things within a three-dimensional environment. In contrast to photos, point clouds exhibit sparsity and lack a regular grid, hence posing distinct processing and computational issues.

We study the estimation of a planted signal hidden in a recently introduced nested matrix-tensor model, which is an extension of the classical spiked rank-one tensor model, motivated by multi-view clustering. Prior work has theoretically examined the performance of a tensor-based approach, which relies on finding a best rank-one approximation, a problem known to be computationally hard. A tractable alternative approach consists in computing instead the best rank-one (matrix) approximation of an unfolding of the observed tensor data, but its performance was hitherto unknown. We quantify here the performance gap between these two approaches, in particular by deriving the precise algorithmic threshold of the unfolding approach and demonstrating that it exhibits a BBP-type transition behavior. This work is therefore in line with recent contributions which deepen our understanding of why tensor-based methods surpass matrix-based methods in handling structured tensor data.

Table-based reasoning has shown remarkable progress in combining deep models with discrete reasoning, which requires reasoning over both free-form natural language (NL) questions and structured tabular data. However, previous table-based reasoning solutions usually suffer from significant performance degradation on huge evidence (tables). In addition, most existing methods struggle to reason over complex questions since the required information is scattered in different places. To alleviate the above challenges, we exploit large language models (LLMs) as decomposers for effective table-based reasoning, which (i) decompose huge evidence (a huge table) into sub-evidence (a small table) to mitigate the interference of useless information for table reasoning; and (ii) decompose complex questions into simpler sub-questions for text reasoning. Specifically, we first use the LLMs to break down the evidence (tables) involved in the current question, retaining the relevant evidence and excluding the remaining irrelevant evidence from the huge table. In addition, we propose a "parsing-execution-filling" strategy to alleviate the hallucination dilemma of the chain of thought by decoupling logic and numerical computation in each step. Extensive experiments show that our method can effectively leverage decomposed evidence and questions and outperforms the strong baselines on TabFact, WikiTableQuestion, and FetaQA datasets. Notably, our model outperforms human performance for the first time on the TabFact dataset.

Inspired by the latest developments in multilevel Monte Carlo (MLMC) methods and randomised sketching for linear algebra problems we propose a MLMC estimator for real-time processing of matrix structured random data. Our algorithm is particularly effective in handling high-dimensional inner products and matrix multiplication, in applications of image analysis and large-scale supervised learning.

While extensive research has explored the use of large language models (LLMs) for table-based reasoning, most approaches struggle with scalability when applied to large tables. To maintain the superior comprehension abilities of LLMs in these scenarios, we introduce ALTER(Augmentation for Large-Table-Based Reasoning)-a framework designed to harness the latent augmentation potential in both free-form natural language (NL) questions, via the query augmentor, and semi-structured tabular data, through the table augmentor. By utilizing only a small subset of relevant data from the table and supplementing it with pre-augmented schema, semantic, and literal information, ALTER achieves outstanding performance on table-based reasoning benchmarks. We also provide a detailed analysis of large-table scenarios, comparing different methods and various partitioning principles. In these scenarios, our method outperforms all other approaches and exhibits robustness and efficiency against perturbations.

Large Language Models (LLMs) have excelled in multi-hop question-answering (M-QA) due to their advanced reasoning abilities. However, the impact of the inherent reasoning structures on LLM M-QA performance remains unclear, largely due to the absence of QA datasets that provide fine-grained reasoning structures. To address this gap, we introduce the Graph Reasoning-Structured Question Answering Dataset (GRS-QA), which includes both semantic contexts and reasoning structures for QA pairs. Unlike existing M-QA datasets, where different reasoning structures are entangled together, GRS-QA explicitly captures intricate reasoning pathways by constructing reasoning graphs, where nodes represent textual contexts and edges denote logical flows. These reasoning graphs of different structures enable a fine-grained evaluation of LLM reasoning capabilities across various reasoning structures. Our empirical analysis reveals that LLMs perform differently when handling questions with varying reasoning structures. This finding facilitates the exploration of textual structures as compared with semantics.

As language models increase in size by the day, methods for efficient inference are critical to leveraging their capabilities for various applications. Prior work has investigated techniques like model pruning, knowledge distillation, and data multiplexing to increase model throughput without sacrificing accuracy. In this paper, we combine two such methods -- structured pruning and data multiplexing -- to compound the speedup gains obtained by either method. Our approach, PruMUX, obtains up to 7.5-29.5X throughput improvement over BERT-base model with accuracy threshold from 80% to 74%. We further study various combinations of parameters (such as sparsity and multiplexing factor) in the two techniques to provide a comprehensive analysis of the tradeoff between accuracy and throughput in the resulting models. We then propose Auto-PruMUX, a meta-level model that can predict the high-performance parameters for pruning and multiplexing given a desired accuracy loss budget, providing a practical method to leverage the combination effectively.

With the increasing availability of structured and unstructured data and the swift progress of analytical techniques, Artificial Intelligence (AI) is bringing a revolution to the healthcare industry. With the increasingly indispensable role of AI in healthcare, there are growing concerns over the lack of transparency and explainability in addition to potential bias encountered by predictions of the model. This is where Explainable Artificial Intelligence (XAI) comes into the picture. XAI increases the trust placed in an AI system by medical practitioners as well as AI researchers, and thus, eventually, leads to an increasingly widespread deployment of AI in healthcare. In this paper, we present different interpretability techniques. The aim is to enlighten practitioners on the understandability and interpretability of explainable AI systems using a variety of techniques available which can be very advantageous in the health-care domain. Medical diagnosis model is responsible for human life and we need to be confident enough to treat a patient as instructed by a black-box model. Our paper contains examples based on the heart disease dataset and elucidates on how the explainability techniques should be preferred to create trustworthiness while using AI systems in healthcare.

Webpages have been a rich resource for language and vision-language tasks. Yet only pieces of webpages are kept: image-caption pairs, long text articles, or raw HTML, never all in one place. Webpage tasks have resultingly received little attention and structured image-text data underused. To study multimodal webpage understanding, we introduce the Wikipedia Webpage 2M (WikiWeb2M) suite; the first to retain the full set of images, text, and structure data available in a page. WikiWeb2M can be used for tasks like page description generation, section summarization, and contextual image captioning.

Retrieval-Augmented Generation (RAG) systems have become pivotal in leveraging vast corpora to generate informed and contextually relevant responses, notably reducing hallucinations in Large Language Models. Despite significant advancements, these systems struggle to efficiently process and retrieve information from large datasets while maintaining a comprehensive understanding of the context. This paper introduces SKETCH, a novel methodology that enhances the RAG retrieval process by integrating semantic text retrieval with knowledge graphs, thereby merging structured and unstructured data for a more holistic comprehension. SKETCH, demonstrates substantial improvements in retrieval performance and maintains superior context integrity compared to traditional methods. Evaluated across four diverse datasets: QuALITY, QASPER, NarrativeQA, and Italian Cuisine-SKETCH consistently outperforms baseline approaches on key RAGAS metrics such as answer_relevancy, faithfulness, context_precision and context_recall. Notably, on the Italian Cuisine dataset, SKETCH achieved an answer relevancy of 0.94 and a context precision of 0.99, representing the highest performance across all evaluated metrics. These results highlight SKETCH's capability in delivering more accurate and contextually relevant responses, setting new benchmarks for future retrieval systems.

We describe MGARD, a software providing MultiGrid Adaptive Reduction for floating-point scientific data on structured and unstructured grids. With exceptional data compression capability and precise error control, MGARD addresses a wide range of requirements, including storage reduction, high-performance I/O, and in-situ data analysis. It features a unified application programming interface (API) that seamlessly operates across diverse computing architectures. MGARD has been optimized with highly-tuned GPU kernels and efficient memory and device management mechanisms, ensuring scalable and rapid operations.

Associating unstructured data with structured information is crucial for real-world tasks that require relevance search. However, existing graph learning benchmarks often overlook the rich semantic information associate with each node. To bridge such gap, we introduce the Multimodal Graph Benchmark (MM-GRAPH), the first comprehensive multi-modal graph benchmark that incorporates both textual and visual information. MM-GRAPH surpasses previous efforts, which have primarily focused on text-attributed graphs with various connectivity patterns. MM-GRAPH consists of five graph learning datasets of various scales that are appropriate for different learning tasks. Their multimodal node features, enabling a more comprehensive evaluation of graph learning algorithms in real-world scenarios. To facilitate research on multimodal graph learning, we further provide an extensive study on the performance of various graph neural networks in the presence of features from various modalities. MM-GRAPH aims to foster research on multimodal graph learning and drive the development of more advanced and robust graph learning algorithms. By providing a diverse set of datasets and benchmarks, MM-GRAPH enables researchers to evaluate and compare their models in realistic settings, ultimately leading to improved performance on real-world applications that rely on multimodal graph data.

Information Extraction (IE) is crucial for converting unstructured data into structured formats like Knowledge Graphs (KGs). A key task within IE is Relation Extraction (RE), which identifies relationships between entities in text. Various RE methods exist, including supervised, unsupervised, weakly supervised, and rule-based approaches. Recent studies leveraging pre-trained language models (PLMs) have shown significant success in this area. In the current era dominated by Large Language Models (LLMs), fine-tuning these models can overcome limitations associated with zero-shot LLM prompting-based RE methods, especially regarding domain adaptation challenges and identifying implicit relations between entities in sentences. These implicit relations, which cannot be easily extracted from a sentence's dependency tree, require logical inference for accurate identification. This work explores the performance of fine-tuned LLMs and their integration into the Retrieval Augmented-based (RAG) RE approach to address the challenges of identifying implicit relations at the sentence level, particularly when LLMs act as generators within the RAG framework. Empirical evaluations on the TACRED, TACRED-Revisited (TACREV), Re-TACRED, and SemEVAL datasets show significant performance improvements with fine-tuned LLMs, including Llama2-7B, Mistral-7B, and T5 (Large). Notably, our approach achieves substantial gains on SemEVAL, where implicit relations are common, surpassing previous results on this dataset. Additionally, our method outperforms previous works on TACRED, TACREV, and Re-TACRED, demonstrating exceptional performance across diverse evaluation scenarios.

Webpages have been a rich, scalable resource for vision-language and language only tasks. Yet only pieces of webpages are kept: image-caption pairs, long text articles, or raw HTML, never all in one place. Webpage tasks have resultingly received little attention and structured image-text data left underused. To study multimodal webpage understanding, we introduce the Wikipedia Webpage suite (WikiWeb2M) of 2M pages. We verify its utility on three generative tasks: page description generation, section summarization, and contextual image captioning. We design a novel attention mechanism Prefix Global, which selects the most relevant image and text content as global tokens to attend to the rest of the webpage for context. By using page structure to separate such tokens, it performs better than full attention with lower computational complexity. Experiments show that the new annotations from WikiWeb2M improve task performance compared to data from prior work. We also include ablations on sequence length, input features, and model size.

The current state of adoption of well-structured electronic health records and integration of digital methods for storing medical patient data in structured formats can often considered as inferior compared to the use of traditional, unstructured text based patient data documentation. Data mining in the field of medical data analysis often needs to rely solely on processing of unstructured data to retrieve relevant data. In natural language processing (NLP), statistical models have been shown successful in various tasks like part-of-speech tagging, relation extraction (RE) and named entity recognition (NER). In this work, we present GERNERMED, the first open, neural NLP model for NER tasks dedicated to detect medical entity types in German text data. Here, we avoid the conflicting goals of protection of sensitive patient data from training data extraction and the publication of the statistical model weights by training our model on a custom dataset that was translated from publicly available datasets in foreign language by a pretrained neural machine translation model. The sample code and the statistical model is available at: https://github.com/frankkramer-lab/GERNERMED

A booming amount of information is continuously added to the Internet as structured and unstructured data, feeding knowledge bases such as DBpedia and Wikidata with billions of statements describing millions of entities. The aim of Question Answering systems is to allow lay users to access such data using natural language without needing to write formal queries. However, users often submit questions that are complex and require a certain level of abstraction and reasoning to decompose them into basic graph patterns. In this short paper, we explore the use of architectures based on Neural Machine Translation called Neural SPARQL Machines to learn pattern compositions. We show that sequence-to-sequence models are a viable and promising option to transform long utterances into complex SPARQL queries.

Comparative reasoning is a process of comparing objects, concepts, or entities to draw conclusions, which constitutes a fundamental cognitive ability. In this paper, we propose a novel framework to pre-train language models for enhancing their abilities of comparative reasoning over texts. While there have been approaches for NLP tasks that require comparative reasoning, they suffer from costly manual data labeling and limited generalizability to different tasks. Our approach introduces a novel method of collecting scalable data for text-based entity comparison, which leverages both structured and unstructured data. Moreover, we present a framework of pre-training language models via three novel objectives on comparative reasoning. Evaluation on downstream tasks including comparative question answering, question generation, and summarization shows that our pre-training framework significantly improves the comparative reasoning abilities of language models, especially under low-resource conditions. This work also releases the first integrated benchmark for comparative reasoning.

The integration of Artificial Intelligence (AI) in the financial domain has opened new avenues for quantitative trading, particularly through the use of Large Language Models (LLMs). However, the challenge of effectively synthesizing insights from diverse data sources and integrating both structured and unstructured data persists. This paper presents TradeExpert, a novel framework that employs a mix of experts (MoE) approach, using four specialized LLMs, each analyzing distinct sources of financial data, including news articles, market data, alpha factors, and fundamental data. The insights of these expert LLMs are further synthesized by a General Expert LLM to make a final prediction or decision. With specific prompts, TradeExpert can be switched between the prediction mode and the ranking mode for stock movement prediction and quantitative stock trading, respectively. In addition to existing benchmarks, we also release a large-scale financial dataset to comprehensively evaluate TradeExpert's effectiveness. Our experimental results demonstrate TradeExpert's superior performance across all trading scenarios.

In this paper, we explore the question of whether large language models can support cost-efficient information extraction from tables. We introduce schema-driven information extraction, a new task that transforms tabular data into structured records following a human-authored schema. To assess various LLM's capabilities on this task, we present a benchmark comprised of tables from four diverse domains: machine learning papers, chemistry literature, material science journals, and webpages. We use this collection of annotated tables to evaluate the ability of open-source and API-based language models to extract information from tables covering diverse domains and data formats. Our experiments demonstrate that surprisingly competitive performance can be achieved without requiring task-specific pipelines or labels, achieving F1 scores ranging from 74.2 to 96.1, while maintaining cost efficiency. Moreover, through detailed ablation studies and analyses, we investigate the factors contributing to model success and validate the practicality of distilling compact models to reduce API reliance.

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.

Multimodal Retrieval-Augmented Generation (MRAG) enhances reasoning capabilities by integrating external knowledge. However, existing benchmarks primarily focus on simple image-text interactions, overlooking complex visual formats like charts that are prevalent in real-world applications. In this work, we introduce a novel task, Chart-based MRAG, to address this limitation. To semi-automatically generate high-quality evaluation samples, we propose CHARt-based document question-answering GEneration (CHARGE), a framework that produces evaluation data through structured keypoint extraction, crossmodal verification, and keypoint-based generation. By combining CHARGE with expert validation, we construct Chart-MRAG Bench, a comprehensive benchmark for chart-based MRAG evaluation, featuring 4,738 question-answering pairs across 8 domains from real-world documents. Our evaluation reveals three critical limitations in current approaches: (1) unified multimodal embedding retrieval methods struggles in chart-based scenarios, (2) even with ground-truth retrieval, state-of-the-art MLLMs achieve only 58.19% Correctness and 73.87% Coverage scores, and (3) MLLMs demonstrate consistent text-over-visual modality bias during Chart-based MRAG reasoning. The CHARGE and Chart-MRAG Bench are released at https://github.com/Nomothings/CHARGE.git.

A research division plays an important role of driving innovation in an organization. Drawing insights, following trends, keeping abreast of new research, and formulating strategies are increasingly becoming more challenging for both researchers and executives as the amount of information grows in both velocity and volume. In this paper we present a use case of how a corporate research community, IBM Research, utilizes Semantic Web technologies to induce a unified Knowledge Graph from both structured and textual data obtained by integrating various applications used by the community related to research projects, academic papers, datasets, achievements and recognition. In order to make the Knowledge Graph more accessible to application developers, we identified a set of common patterns for exploiting the induced knowledge and exposed them as APIs. Those patterns were born out of user research which identified the most valuable use cases or user pain points to be alleviated. We outline two distinct scenarios: recommendation and analytics for business use. We will discuss these scenarios in detail and provide an empirical evaluation on entity recommendation specifically. The methodology used and the lessons learned from this work can be applied to other organizations facing similar challenges.

This paper introduces a new environment LLM-PySC2 (the Large Language Model StarCraft II Learning Environment), a platform derived from DeepMind's StarCraft II Learning Environment that serves to develop Large Language Models (LLMs) based decision-making methodologies. This environment is the first to offer the complete StarCraft II action space, multi-modal observation interfaces, and a structured game knowledge database, which are seamlessly connected with various LLMs to facilitate the research of LLMs-based decision-making. To further support multi-agent research, we developed an LLM collaborative framework that supports multi-agent concurrent queries and multi-agent communication. In our experiments, the LLM-PySC2 environment is adapted to be compatible with the StarCraft Multi-Agent Challenge (SMAC) task group and provided eight new scenarios focused on macro-decision abilities. We evaluated nine mainstream LLMs in the experiments, and results show that sufficient parameters are necessary for LLMs to make decisions, but improving reasoning ability does not directly lead to better decision-making outcomes. Our findings further indicate the importance of enabling large models to learn autonomously in the deployment environment through parameter training or train-free learning techniques. Ultimately, we expect that the LLM-PySC2 environment can promote research on learning methods for LLMs, helping LLM-based methods better adapt to task scenarios.

Large language models (LLMs) have achieved significant progress across various domains, but their increasing scale results in high computational and memory costs. Recent studies have revealed that LLMs exhibit sparsity, providing the potential to reduce model size through pruning techniques. However, existing pruning methods typically follow a prune-then-finetune paradigm. Since the pruned components still contain valuable information, their direct removal often leads to irreversible performance degradation, imposing a substantial computational burden to recover performance during finetuning. In this paper, we propose a novel paradigm that first applies regularization, then prunes, and finally finetunes. Based on this paradigm, we introduce DReSS, a simple and effective Data-driven Regularized Structured Streamlining method for LLMs. By leveraging a small amount of data to regularize the components to be pruned, DReSS explicitly transfers the important information to the remaining parts of the model in advance. Compared to direct pruning, this can reduce the information loss caused by parameter removal, thereby enhancing its language modeling capabilities. Experimental results demonstrate that DReSS significantly outperforms existing pruning methods even under extreme pruning ratios, significantly reducing latency and increasing throughput.

Current language models tailored for code tasks often adopt the pre-training-then-fine-tuning paradigm from natural language processing, modeling source code as plain text. This approach, however, overlooks the unambiguous structures inherent in programming languages. In this work, we explore data-efficient adaptation of pre-trained code models by further pre-training and fine-tuning them with program structures. Specifically, we represent programs as parse trees -- also known as concrete syntax trees (CSTs) -- and adapt pre-trained models on serialized CSTs. Although the models that we adapt have been pre-trained only on the surface form of programs, we find that a small amount of continual pre-training and fine-tuning on CSTs without changing the model architecture yields improvements over the baseline approach across various code tasks. The improvements are found to be particularly significant when there are limited training examples, demonstrating the effectiveness of integrating program structures with plain-text representation even when working with backbone models that have not been pre-trained with structures.

Automatic table detection in PDF documents has achieved a great success but tabular data extraction are still challenging due to the integrity and noise issues in detected table areas. The accurate data extraction is extremely crucial in finance area. Inspired by this, the aim of this research is proposing an automated table detection and tabular data extraction from financial PDF documents. We proposed a method that consists of three main processes, which are detecting table areas with a Faster R-CNN (Region-based Convolutional Neural Network) model with Feature Pyramid Network (FPN) on each page image, extracting contents and structures by a compounded layout segmentation technique based on optical character recognition (OCR) and formulating regular expression rules for table header separation. The tabular data extraction feature is embedded with rule-based filtering and restructuring functions that are highly scalable. We annotate a new Financial Documents dataset with table regions for the experiment. The excellent table detection performance of the detection model is obtained from our customized dataset. The main contributions of this paper are proposing the Financial Documents dataset with table-area annotations, the superior detection model and the rule-based layout segmentation technique for the tabular data extraction from PDF files.

With the development of data-centric AI, the focus has shifted from model-driven approaches to improving data quality. Academic literature, as one of the crucial types, is predominantly stored in PDF formats and needs to be parsed into texts before further processing. However, parsing diverse structured texts in academic literature remains challenging due to the lack of datasets that cover various text structures. In this paper, we introduce AceParse, the first comprehensive dataset designed to support the parsing of a wide range of structured texts, including formulas, tables, lists, algorithms, and sentences with embedded mathematical expressions. Based on AceParse, we fine-tuned a multimodal model, named AceParser, which accurately parses various structured texts within academic literature. This model outperforms the previous state-of-the-art by 4.1% in terms of F1 score and by 5% in Jaccard Similarity, demonstrating the potential of multimodal models in academic literature parsing. Our dataset is available at https://github.com/JHW5981/AceParse.

Current Reinforcement Learning (RL) is often limited by the large amount of data needed to learn a successful policy. Offline RL aims to solve this issue by using transitions collected by a different behavior policy. We address a novel Offline RL problem setting in which, while collecting the dataset, the transition and reward functions gradually change between episodes but stay constant within each episode. We propose a method based on Contrastive Predictive Coding that identifies this non-stationarity in the offline dataset, accounts for it when training a policy, and predicts it during evaluation. We analyze our proposed method and show that it performs well in simple continuous control tasks and challenging, high-dimensional locomotion tasks. We show that our method often achieves the oracle performance and performs better than baselines.

In the evolving field of corporate sustainability, analyzing unstructured Environmental, Social, and Governance (ESG) reports is a complex challenge due to their varied formats and intricate content. This study introduces an innovative methodology utilizing the "Unstructured Core Library", specifically tailored to address these challenges by transforming ESG reports into structured, analyzable formats. Our approach significantly advances the existing research by offering high-precision text cleaning, adept identification and extraction of text from images, and standardization of tables within these reports. Emphasizing its capability to handle diverse data types, including text, images, and tables, the method adeptly manages the nuances of differing page layouts and report styles across industries. This research marks a substantial contribution to the fields of industrial ecology and corporate sustainability assessment, paving the way for the application of advanced NLP technologies and large language models in the analysis of corporate governance and sustainability. Our code is available at https://github.com/linancn/TianGong-AI-Unstructure.git.

Large, pre-trained models are problematic to use in resource constrained applications. Fortunately, task-aware structured pruning methods offer a solution. These approaches reduce model size by dropping structural units like layers and attention heads in a manner that takes into account the end-task. However, these pruning algorithms require more task-specific data than is typically available. We propose a framework which combines structured pruning with transfer learning to reduce the need for task-specific data. Our empirical results answer questions such as: How should the two tasks be coupled? What parameters should be transferred? And, when during training should transfer learning be introduced? Leveraging these insights, we demonstrate that our framework results in pruned models with improved generalization over strong baselines.

Large Language Models (LLMs) have achieved great success in solving difficult tasks across many domains, but such success comes with a high computation cost, and inference latency. As developers and third parties customize these models, the need to provide efficient inference has increased. Many efforts have attempted to reduce inference cost through model compression techniques such as pruning and distillation. However, these techniques either require labeled data, or are time-consuming as they require the compressed model to be retrained to regain accuracy. In this paper, we propose a gradient-free structured pruning framework that uses only unlabeled data. An evaluation on the GLUE and SQuAD benchmarks using BERT_{BASE} and DistilBERT illustrates the effectiveness of the proposed approach. By only using the weights of the pre-trained model and unlabeled data, in a matter of a few minutes on a single GPU, up to 40% of the original FLOP count can be reduced with less than a 4% accuracy loss across all tasks considered.

Sora's high-motion intensity and long consistent videos have significantly impacted the field of video generation, attracting unprecedented attention. However, existing publicly available datasets are inadequate for generating Sora-like videos, as they mainly contain short videos with low motion intensity and brief captions. To address these issues, we propose MiraData, a high-quality video dataset that surpasses previous ones in video duration, caption detail, motion strength, and visual quality. We curate MiraData from diverse, manually selected sources and meticulously process the data to obtain semantically consistent clips. GPT-4V is employed to annotate structured captions, providing detailed descriptions from four different perspectives along with a summarized dense caption. To better assess temporal consistency and motion intensity in video generation, we introduce MiraBench, which enhances existing benchmarks by adding 3D consistency and tracking-based motion strength metrics. MiraBench includes 150 evaluation prompts and 17 metrics covering temporal consistency, motion strength, 3D consistency, visual quality, text-video alignment, and distribution similarity. To demonstrate the utility and effectiveness of MiraData, we conduct experiments using our DiT-based video generation model, MiraDiT. The experimental results on MiraBench demonstrate the superiority of MiraData, especially in motion strength.

Machine Reading Comprehension (MRC) holds a pivotal role in shaping Medical Question Answering Systems (QAS) and transforming the landscape of accessing and applying medical information. However, the inherent challenges in the medical field, such as complex terminology and question ambiguity, necessitate innovative solutions. One key solution involves integrating specialized medical datasets and creating dedicated datasets. This strategic approach enhances the accuracy of QAS, contributing to advancements in clinical decision-making and medical research. To address the intricacies of medical terminology, a specialized dataset was integrated, exemplified by a novel Span extraction dataset derived from emrQA but restructured into 163,695 questions and 4,136 manually obtained answers, this new dataset was called emrQA-msquad dataset. Additionally, for ambiguous questions, a dedicated medical dataset for the Span extraction task was introduced, reinforcing the system's robustness. The fine-tuning of models such as BERT, RoBERTa, and Tiny RoBERTa for medical contexts significantly improved response accuracy within the F1-score range of 0.75 to 1.00 from 10.1% to 37.4%, 18.7% to 44.7% and 16.0% to 46.8%, respectively. Finally, emrQA-msquad dataset is publicy available at https://huggingface.co/datasets/Eladio/emrqa-msquad.

Breaking down a document or a conversation into multiple contiguous segments based on its semantic structure is an important and challenging problem in NLP, which can assist many downstream tasks. However, current works on topic segmentation often focus on segmentation of structured texts. In this paper, we comprehensively analyze the generalization capabilities of state-of-the-art topic segmentation models on unstructured texts. We find that: (a) Current strategies of pre-training on a large corpus of structured text such as Wiki-727K do not help in transferability to unstructured conversational data. (b) Training from scratch with only a relatively small-sized dataset of the target unstructured domain improves the segmentation results by a significant margin. We stress-test our proposed Topic Segmentation approach by experimenting with multiple loss functions, in order to mitigate effects of imbalance in unstructured conversational datasets. Our empirical evaluation indicates that Focal Loss function is a robust alternative to Cross-Entropy and re-weighted Cross-Entropy loss function when segmenting unstructured and semi-structured chats.

Dungeons & Dragons (D&D) is a tabletop roleplaying game with complex natural language interactions between players and hidden state information. Recent work has shown that large language models (LLMs) that have access to state information can generate higher quality game turns than LLMs that use dialog history alone. However, previous work used game state information that was heuristically created and was not a true gold standard game state. We present FIREBALL, a large dataset containing nearly 25,000 unique sessions from real D&D gameplay on Discord with true game state info. We recorded game play sessions of players who used the Avrae bot, which was developed to aid people in playing D&D online, capturing language, game commands and underlying game state information. We demonstrate that FIREBALL can improve natural language generation (NLG) by using Avrae state information, improving both automated metrics and human judgments of quality. Additionally, we show that LLMs can generate executable Avrae commands, particularly after finetuning.

Recently, there has been growing interest in developing learning-based methods to detect and utilize salient semi-global or global structures, such as junctions, lines, planes, cuboids, smooth surfaces, and all types of symmetries, for 3D scene modeling and understanding. However, the ground truth annotations are often obtained via human labor, which is particularly challenging and inefficient for such tasks due to the large number of 3D structure instances (e.g., line segments) and other factors such as viewpoints and occlusions. In this paper, we present a new synthetic dataset, Structured3D, with the aim of providing large-scale photo-realistic images with rich 3D structure annotations for a wide spectrum of structured 3D modeling tasks. We take advantage of the availability of professional interior designs and automatically extract 3D structures from them. We generate high-quality images with an industry-leading rendering engine. We use our synthetic dataset in combination with real images to train deep networks for room layout estimation and demonstrate improved performance on benchmark datasets.

Domain adaptive text classification is a challenging problem for the large-scale pretrained language models because they often require expensive additional labeled data to adapt to new domains. Existing works usually fails to leverage the implicit relationships among words across domains. In this paper, we propose a novel method, called Domain Adaptation with Structured Knowledge (DASK), to enhance domain adaptation by exploiting word-level semantic relationships. DASK first builds a knowledge graph to capture the relationship between pivot terms (domain-independent words) and non-pivot terms in the target domain. Then during training, DASK injects pivot-related knowledge graph information into source domain texts. For the downstream task, these knowledge-injected texts are fed into a BERT variant capable of processing knowledge-injected textual data. Thanks to the knowledge injection, our model learns domain-invariant features for non-pivots according to their relationships with pivots. DASK ensures the pivots to have domain-invariant behaviors by dynamically inferring via the polarity scores of candidate pivots during training with pseudo-labels. We validate DASK on a wide range of cross-domain sentiment classification tasks and observe up to 2.9% absolute performance improvement over baselines for 20 different domain pairs. Code will be made available at https://github.com/hikaru-nara/DASK.

Structured pruning and quantization are promising approaches for reducing the inference time and memory footprint of neural networks. However, most existing methods require the original training dataset to fine-tune the model. This not only brings heavy resource consumption but also is not possible for applications with sensitive or proprietary data due to privacy and security concerns. Therefore, a few data-free methods are proposed to address this problem, but they perform data-free pruning and quantization separately, which does not explore the complementarity of pruning and quantization. In this paper, we propose a novel framework named Unified Data-Free Compression(UDFC), which performs pruning and quantization simultaneously without any data and fine-tuning process. Specifically, UDFC starts with the assumption that the partial information of a damaged(e.g., pruned or quantized) channel can be preserved by a linear combination of other channels, and then derives the reconstruction form from the assumption to restore the information loss due to compression. Finally, we formulate the reconstruction error between the original network and its compressed network, and theoretically deduce the closed-form solution. We evaluate the UDFC on the large-scale image classification task and obtain significant improvements over various network architectures and compression methods. For example, we achieve a 20.54% accuracy improvement on ImageNet dataset compared to SOTA method with 30% pruning ratio and 6-bit quantization on ResNet-34.

The process of creating training data to teach models is currently driven by humans, who manually analyze model weaknesses and plan how to create data that improves a student model. Recent approaches using LLMs as annotators reduce human effort, but still require humans to interpret feedback from evaluations and control the LLM to produce data the student needs. Automating this labor-intensive process by creating autonomous data generation agents - or teachers - is desirable, but requires environments that can simulate the feedback-driven, iterative, closed loop of data creation. To enable rapid and scalable testing for such agents and their modules, we introduce DataEnvGym, a testbed of teacher environments for data generation agents. DataEnvGym frames data generation as a sequential decision-making task, involving an agent consisting of a data generation policy (which generates a plan for creating training data) and a data generation engine (which transforms the plan into data), inside an environment that provides student feedback. The agent's goal is to improve student performance. Students are iteratively trained and evaluated on generated data, with their feedback (in the form of errors or weak skills) being reported to the agent after each iteration. DataEnvGym includes multiple teacher environment instantiations across 3 levels of structure in the state representation and action space. More structured environments are based on inferred skills and offer more interpretability and curriculum control. We support 3 diverse tasks (math, code, and VQA) and test multiple students and teachers. Example agents in our teaching environments can iteratively improve students across tasks and settings. Moreover, we show that environments teach different skill levels and test variants of key modules, pointing to future work in improving data generation agents, engines, and feedback mechanisms.

Recent advances in Large Language Models (LLMs) enable exciting LLM-integrated applications, which perform text-based tasks by utilizing their advanced language understanding capabilities. However, as LLMs have improved, so have the attacks against them. Prompt injection attacks are an important threat: they trick the model to deviate from the original application's instructions and instead follow user directives. These attacks rely on the LLM's ability to follow instructions and inability to separate the prompts and user data. We introduce structured queries, a general approach to tackle this problem. Structured queries separate prompts and data into two channels. We implement a system that supports structured queries. This system is made of (1) a secure front-end that formats a prompt and user data into a special format, and (2) a specially trained LLM that can produce high-quality outputs from these inputs. The LLM is trained using a novel fine-tuning strategy: we convert a base (non-instruction-tuned) LLM to a structured instruction-tuned model that will only follow instructions in the prompt portion of a query. To do so, we augment standard instruction tuning datasets with examples that also include instructions in the data portion of the query, and fine-tune the model to ignore these. Our system significantly improves resistance to prompt injection attacks, with little or no impact on utility. Our code is released at https://github.com/Sizhe-Chen/PromptInjectionDefense.

Data is a crucial component of machine learning. The field is reliant on data to train, validate, and test models. With increased technical capabilities, machine learning research has boomed in both academic and industry settings, and one major focus has been on computer vision. Computer vision is a popular domain of machine learning increasingly pertinent to real-world applications, from facial recognition in policing to object detection for autonomous vehicles. Given computer vision's propensity to shape machine learning research and impact human life, we seek to understand disciplinary practices around dataset documentation - how data is collected, curated, annotated, and packaged into datasets for computer vision researchers and practitioners to use for model tuning and development. Specifically, we examine what dataset documentation communicates about the underlying values of vision data and the larger practices and goals of computer vision as a field. To conduct this study, we collected a corpus of about 500 computer vision datasets, from which we sampled 114 dataset publications across different vision tasks. Through both a structured and thematic content analysis, we document a number of values around accepted data practices, what makes desirable data, and the treatment of humans in the dataset construction process. We discuss how computer vision datasets authors value efficiency at the expense of care; universality at the expense of contextuality; impartiality at the expense of positionality; and model work at the expense of data work. Many of the silenced values we identify sit in opposition with social computing practices. We conclude with suggestions on how to better incorporate silenced values into the dataset creation and curation process.

Hyperspectral Unmixing (HU) has received increasing attention in the past decades due to its ability of unveiling information latent in hyperspectral data. Unfortunately, most existing methods fail to take advantage of the spatial information in data. To overcome this limitation, we propose a Structured Sparse regularized Nonnegative Matrix Factorization (SS-NMF) method from the following two aspects. First, we incorporate a graph Laplacian to encode the manifold structures embedded in the hyperspectral data space. In this way, the highly similar neighboring pixels can be grouped together. Second, the lasso penalty is employed in SS-NMF for the fact that pixels in the same manifold structure are sparsely mixed by a common set of relevant bases. These two factors act as a new structured sparse constraint. With this constraint, our method can learn a compact space, where highly similar pixels are grouped to share correlated sparse representations. Experiments on real hyperspectral data sets with different noise levels demonstrate that our method outperforms the state-of-the-art methods significantly.

A significant amount of the world's knowledge is stored in relational databases. However, the ability for users to retrieve facts from a database is limited due to a lack of understanding of query languages such as SQL. We propose Seq2SQL, a deep neural network for translating natural language questions to corresponding SQL queries. Our model leverages the structure of SQL queries to significantly reduce the output space of generated queries. Moreover, we use rewards from in-the-loop query execution over the database to learn a policy to generate unordered parts of the query, which we show are less suitable for optimization via cross entropy loss. In addition, we will publish WikiSQL, a dataset of 80654 hand-annotated examples of questions and SQL queries distributed across 24241 tables from Wikipedia. This dataset is required to train our model and is an order of magnitude larger than comparable datasets. By applying policy-based reinforcement learning with a query execution environment to WikiSQL, our model Seq2SQL outperforms attentional sequence to sequence models, improving execution accuracy from 35.9% to 59.4% and logical form accuracy from 23.4% to 48.3%.

Denoising diffusion probabilistic models (DDPMs) (Ho et al. 2020) have shown impressive results on image and waveform generation in continuous state spaces. Here, we introduce Discrete Denoising Diffusion Probabilistic Models (D3PMs), diffusion-like generative models for discrete data that generalize the multinomial diffusion model of Hoogeboom et al. 2021, by going beyond corruption processes with uniform transition probabilities. This includes corruption with transition matrices that mimic Gaussian kernels in continuous space, matrices based on nearest neighbors in embedding space, and matrices that introduce absorbing states. The third allows us to draw a connection between diffusion models and autoregressive and mask-based generative models. We show that the choice of transition matrix is an important design decision that leads to improved results in image and text domains. We also introduce a new loss function that combines the variational lower bound with an auxiliary cross entropy loss. For text, this model class achieves strong results on character-level text generation while scaling to large vocabularies on LM1B. On the image dataset CIFAR-10, our models approach the sample quality and exceed the log-likelihood of the continuous-space DDPM model.

Despite their impressive performance, large language models (LMs) still struggle with reliably generating complex output structures when not finetuned to follow the required output format exactly. To address this issue, grammar-constrained decoding (GCD) can be used to control the generation of LMs, guaranteeing that the output follows a given structure. Most existing GCD methods are, however, limited to specific tasks, such as parsing or code generation. In this work, we demonstrate that formal grammars can describe the output space for a much wider range of tasks and argue that GCD can serve as a unified framework for structured NLP tasks in general. For increased flexibility, we introduce input-dependent grammars, which allow the grammar to depend on the input and thus enable the generation of different output structures for different inputs. We then empirically demonstrate the power and flexibility of GCD-enhanced LMs on (1) information extraction, (2) entity disambiguation, and (3) constituency parsing. Our results indicate that grammar-constrained LMs substantially outperform unconstrained LMs or even beat task-specific finetuned models. Grammar constraints thus hold great promise for harnessing off-the-shelf LMs for a wide range of structured NLP tasks, especially where training data is scarce or finetuning is expensive. Code and data: https://github.com/epfl-dlab/GCD.

Recent developments in long-context large language models have attracted considerable attention. Yet, their real-world applications are often hindered by ineffective context information use. This work shows that structuring training data to increase semantic interdependence is an effective strategy for optimizing context utilization. To this end, we introduce Structured Packing for Long Context (SPLiCe), a method for creating training examples by using information retrieval methods to collate mutually relevant documents into a single training context. We empirically validate SPLiCe on large 3B and 7B models, showing perplexity improvements and better long-context utilization on downstream tasks. Remarkably, already relatively short fine-tuning with SPLiCe is enough to attain these benefits. Additionally, the comprehensive study of SPLiCe reveals intriguing transfer effects such as training on code data leading to perplexity improvements on text data.

Malicious URL (Uniform Resource Locator) classification is a pivotal aspect of Cybersecurity, offering defense against web-based threats. Despite deep learning's promise in this area, its advancement is hindered by two main challenges: the scarcity of comprehensive, open-source datasets and the limitations of existing models, which either lack real-time capabilities or exhibit suboptimal performance. In order to address these gaps, we introduce a novel, multi-class dataset for malicious URL classification, distinguishing between benign, phishing and malicious URLs, named DeepURLBench. The data has been rigorously cleansed and structured, providing a superior alternative to existing datasets. Notably, the multi-class approach enhances the performance of deep learning models, as compared to a standard binary classification approach. Additionally, we propose improvements to string-based URL classifiers, applying these enhancements to URLNet. Key among these is the integration of DNS-derived features, which enrich the model's capabilities and lead to notable performance gains while preserving real-time runtime efficiency-achieving an effective balance for cybersecurity applications.

Podcasts provide highly diverse content to a massive listener base through a unique on-demand modality. However, limited data has prevented large-scale computational analysis of the podcast ecosystem. To fill this gap, we introduce a massive dataset of over 1.1M podcast transcripts that is largely comprehensive of all English language podcasts available through public RSS feeds from May and June of 2020. This data is not limited to text, but rather includes audio features and speaker turns for a subset of 370K episodes, and speaker role inferences and other metadata for all 1.1M episodes. Using this data, we also conduct a foundational investigation into the content, structure, and responsiveness of this ecosystem. Together, our data and analyses open the door to continued computational research of this popular and impactful medium.

Prompt tuning for pre-trained masked language models (MLM) has shown promising performance in natural language processing tasks with few labeled examples. It tunes a prompt for the downstream task, and a verbalizer is used to bridge the predicted token and label prediction. Due to the limited training data, prompt initialization is crucial for prompt tuning. Recently, MetaPrompting (Hou et al., 2022) uses meta-learning to learn a shared initialization for all task-specific prompts. However, a single initialization is insufficient to obtain good prompts for all tasks and samples when the tasks are complex. Moreover, MetaPrompting requires tuning the whole MLM, causing a heavy burden on computation and memory as the MLM is usually large. To address these issues, we use a prompt pool to extract more task knowledge and construct instance-dependent prompts via attention. We further propose a novel soft verbalizer (RepVerb) which constructs label embedding from feature embeddings directly. Combining meta-learning the prompt pool and RepVerb, we propose MetaPrompter for effective structured prompting. MetaPrompter is parameter-efficient as only the pool is required to be tuned. Experimental results demonstrate that MetaPrompter performs better than the recent state-of-the-arts and RepVerb outperforms existing soft verbalizers.

Solving ill-posed inverse problems requires careful formulation of prior beliefs over the signals of interest and an accurate description of their manifestation into noisy measurements. Handcrafted signal priors based on e.g. sparsity are increasingly replaced by data-driven deep generative models, and several groups have recently shown that state-of-the-art score-based diffusion models yield particularly strong performance and flexibility. In this paper, we show that the powerful paradigm of posterior sampling with diffusion models can be extended to include rich, structured, noise models. To that end, we propose a joint conditional reverse diffusion process with learned scores for the noise and signal-generating distribution. We demonstrate strong performance gains across various inverse problems with structured noise, outperforming competitive baselines that use normalizing flows and adversarial networks. This opens up new opportunities and relevant practical applications of diffusion modeling for inverse problems in the context of non-Gaussian measurement models.

As research and industry moves towards large-scale models capable of numerous downstream tasks, the complexity of understanding multi-modal datasets that give nuance to models rapidly increases. A clear and thorough understanding of a dataset's origins, development, intent, ethical considerations and evolution becomes a necessary step for the responsible and informed deployment of models, especially those in people-facing contexts and high-risk domains. However, the burden of this understanding often falls on the intelligibility, conciseness, and comprehensiveness of the documentation. It requires consistency and comparability across the documentation of all datasets involved, and as such documentation must be treated as a user-centric product in and of itself. In this paper, we propose Data Cards for fostering transparent, purposeful and human-centered documentation of datasets within the practical contexts of industry and research. Data Cards are structured summaries of essential facts about various aspects of ML datasets needed by stakeholders across a dataset's lifecycle for responsible AI development. These summaries provide explanations of processes and rationales that shape the data and consequently the models, such as upstream sources, data collection and annotation methods; training and evaluation methods, intended use; or decisions affecting model performance. We also present frameworks that ground Data Cards in real-world utility and human-centricity. Using two case studies, we report on desirable characteristics that support adoption across domains, organizational structures, and audience groups. Finally, we present lessons learned from deploying over 20 Data Cards.

The traditional Dialogue State Tracking (DST) problem aims to track user preferences and intents in user-agent conversations. While sufficient for task-oriented dialogue systems supporting narrow domain applications, the advent of Large Language Model (LLM)-based chat systems has introduced many real-world intricacies in open-domain dialogues. These intricacies manifest in the form of increased complexity in contextual interactions, extended dialogue sessions encompassing a diverse array of topics, and more frequent contextual shifts. To handle these intricacies arising from evolving LLM-based chat systems, we propose joint dialogue segmentation and state tracking per segment in open-domain dialogue systems. Assuming a zero-shot setting appropriate to a true open-domain dialogue system, we propose S3-DST, a structured prompting technique that harnesses Pre-Analytical Recollection, a novel grounding mechanism we designed for improving long context tracking. To demonstrate the efficacy of our proposed approach in joint segmentation and state tracking, we evaluate S3-DST on a proprietary anonymized open-domain dialogue dataset, as well as publicly available DST and segmentation datasets. Across all datasets and settings, S3-DST consistently outperforms the state-of-the-art, demonstrating its potency and robustness the next generation of LLM-based chat systems.

Generative models guided by text prompts are increasingly becoming more popular. However, no text-to-MIDI models currently exist, mostly due to the lack of a captioned MIDI dataset. This work aims to enable research that combines LLMs with symbolic music by presenting the first large-scale MIDI dataset with text captions that is openly available: MidiCaps. MIDI (Musical Instrument Digital Interface) files are a widely used format for encoding musical information. Their structured format captures the nuances of musical composition and has practical applications by music producers, composers, musicologists, as well as performers. Inspired by recent advancements in captioning techniques applied to various domains, we present a large-scale curated dataset of over 168k MIDI files accompanied by textual descriptions. Each MIDI caption succinctly describes the musical content, encompassing tempo, chord progression, time signature, instruments present, genre and mood; thereby facilitating multi-modal exploration and analysis. The dataset contains a mix of various genres, styles, and complexities, offering a rich source for training and evaluating models for tasks such as music information retrieval, music understanding and cross-modal translation. We provide detailed statistics about the dataset and have assessed the quality of the captions in an extensive listening study. We anticipate that this resource will stimulate further research in the intersection of music and natural language processing, fostering advancements in both fields.

The growing size of neural language models has led to increased attention in model compression. The two predominant approaches are pruning, which gradually removes weights from a pre-trained model, and distillation, which trains a smaller compact model to match a larger one. Pruning methods can significantly reduce the model size but hardly achieve large speedups as distillation. However, distillation methods require large amounts of unlabeled data and are expensive to train. In this work, we propose a task-specific structured pruning method CoFi (Coarse- and Fine-grained Pruning), which delivers highly parallelizable subnetworks and matches the distillation methods in both accuracy and latency, without resorting to any unlabeled data. Our key insight is to jointly prune coarse-grained (e.g., layers) and fine-grained (e.g., heads and hidden units) modules, which controls the pruning decision of each parameter with masks of different granularity. We also devise a layerwise distillation strategy to transfer knowledge from unpruned to pruned models during optimization. Our experiments on GLUE and SQuAD datasets show that CoFi yields models with over 10x speedups with a small accuracy drop, showing its effectiveness and efficiency compared to previous pruning and distillation approaches.

The rapid expansion of scientific literature in computer science presents challenges in tracking research trends and extracting key insights. Existing datasets provide metadata but lack structured summaries that capture core contributions and methodologies. We introduce CS-PaperSum, a large-scale dataset of 91,919 papers from 31 top-tier computer science conferences, enriched with AI-generated structured summaries using ChatGPT. To assess summary quality, we conduct embedding alignment analysis and keyword overlap analysis, demonstrating strong preservation of key concepts. We further present a case study on AI research trends, highlighting shifts in methodologies and interdisciplinary crossovers, including the rise of self-supervised learning, retrieval-augmented generation, and multimodal AI. Our dataset enables automated literature analysis, research trend forecasting, and AI-driven scientific discovery, providing a valuable resource for researchers, policymakers, and scientific information retrieval systems.

FormalSpecCpp is a dataset designed to fill the gap in standardized benchmarks for verifying formal specifications in C++ programs. To the best of our knowledge, this is the first comprehensive collection of C++ programs with well-defined preconditions and postconditions. It provides a structured benchmark for evaluating specification inference tools and testing theaccuracy of generated specifications. Researchers and developers can use this dataset to benchmark specification inference tools,fine-tune Large Language Models (LLMs) for automated specification generation, and analyze the role of formal specifications in improving program verification and automated testing. By making this dataset publicly available, we aim to advance research in program verification, specification inference, and AI-assisted software development. The dataset and the code are available at https://github.com/MadhuNimmo/FormalSpecCpp.

Scientific innovation relies on detailed workflows, which include critical steps such as analyzing literature, generating ideas, validating these ideas, interpreting results, and inspiring follow-up research. However, scientific publications that document these workflows are extensive and unstructured. This makes it difficult for both human researchers and AI systems to effectively navigate and explore the space of scientific innovation. To address this issue, we introduce MASSW, a comprehensive text dataset on Multi-Aspect Summarization of Scientific Workflows. MASSW includes more than 152,000 peer-reviewed publications from 17 leading computer science conferences spanning the past 50 years. Using Large Language Models (LLMs), we automatically extract five core aspects from these publications -- context, key idea, method, outcome, and projected impact -- which correspond to five key steps in the research workflow. These structured summaries facilitate a variety of downstream tasks and analyses. The quality of the LLM-extracted summaries is validated by comparing them with human annotations. We demonstrate the utility of MASSW through multiple novel machine-learning tasks that can be benchmarked using this new dataset, which make various types of predictions and recommendations along the scientific workflow. MASSW holds significant potential for researchers to create and benchmark new AI methods for optimizing scientific workflows and fostering scientific innovation in the field. Our dataset is openly available at https://github.com/xingjian-zhang/massw.

We present STARC (Structured Annotations for Reading Comprehension), a new annotation framework for assessing reading comprehension with multiple choice questions. Our framework introduces a principled structure for the answer choices and ties them to textual span annotations. The framework is implemented in OneStopQA, a new high-quality dataset for evaluation and analysis of reading comprehension in English. We use this dataset to demonstrate that STARC can be leveraged for a key new application for the development of SAT-like reading comprehension materials: automatic annotation quality probing via span ablation experiments. We further show that it enables in-depth analyses and comparisons between machine and human reading comprehension behavior, including error distributions and guessing ability. Our experiments also reveal that the standard multiple choice dataset in NLP, RACE, is limited in its ability to measure reading comprehension. 47% of its questions can be guessed by machines without accessing the passage, and 18% are unanimously judged by humans as not having a unique correct answer. OneStopQA provides an alternative test set for reading comprehension which alleviates these shortcomings and has a substantially higher human ceiling performance.

The 1st Workshop on Data Contamination (CONDA 2024) focuses on all relevant aspects of data contamination in natural language processing, where data contamination is understood as situations where evaluation data is included in pre-training corpora used to train large scale models, compromising evaluation results. The workshop fostered a shared task to collect evidence on data contamination in current available datasets and models. The goal of the shared task and associated database is to assist the community in understanding the extent of the problem and to assist researchers in avoiding reporting evaluation results on known contaminated resources. The shared task provides a structured, centralized public database for the collection of contamination evidence, open to contributions from the community via GitHub pool requests. This first compilation paper is based on 566 reported entries over 91 contaminated sources from a total of 23 contributors. The details of the individual contamination events are available in the platform. The platform continues to be online, open to contributions from the community.

Many users communicate with chatbots and AI assistants in order to help them with various tasks. A key component of the assistant is the ability to understand and answer a user's natural language questions for question-answering (QA). Because data can be usually stored in a structured manner, an essential step involves turning a natural language question into its corresponding query language. However, in order to train most natural language-to-query-language state-of-the-art models, a large amount of training data is needed first. In most domains, this data is not available and collecting such datasets for various domains can be tedious and time-consuming. In this work, we propose a novel method for accelerating the training dataset collection for developing the natural language-to-query-language machine learning models. Our system allows one to generate conversational multi-term data, where multiple turns define a dialogue session, enabling one to better utilize chatbot interfaces. We train two current state-of-the-art NL-to-QL models, on both an SQL and SPARQL-based datasets in order to showcase the adaptability and efficacy of our created data.

Structured variational autoencoders (SVAEs) combine probabilistic graphical model priors on latent variables, deep neural networks to link latent variables to observed data, and structure-exploiting algorithms for approximate posterior inference. These models are particularly appealing for sequential data, where the prior can capture temporal dependencies. However, despite their conceptual elegance, SVAEs have proven difficult to implement, and more general approaches have been favored in practice. Here, we revisit SVAEs using modern machine learning tools and demonstrate their advantages over more general alternatives in terms of both accuracy and efficiency. First, we develop a modern implementation for hardware acceleration, parallelization, and automatic differentiation of the message passing algorithms at the core of the SVAE. Second, we show that by exploiting structure in the prior, the SVAE learns more accurate models and posterior distributions, which translate into improved performance on prediction tasks. Third, we show how the SVAE can naturally handle missing data, and we leverage this ability to develop a novel, self-supervised training approach. Altogether, these results show that the time is ripe to revisit structured variational autoencoders.

Vision and Language (VL) models have demonstrated remarkable zero-shot performance in a variety of tasks. However, some aspects of complex language understanding still remain a challenge. We introduce the collective notion of Structured Vision&Language Concepts (SVLC) which includes object attributes, relations, and states which are present in the text and visible in the image. Recent studies have shown that even the best VL models struggle with SVLC. A possible way of fixing this issue is by collecting dedicated datasets for teaching each SVLC type, yet this might be expensive and time-consuming. Instead, we propose a more elegant data-driven approach for enhancing VL models' understanding of SVLCs that makes more effective use of existing VL pre-training datasets and does not require any additional data. While automatic understanding of image structure still remains largely unsolved, language structure is much better modeled and understood, allowing for its effective utilization in teaching VL models. In this paper, we propose various techniques based on language structure understanding that can be used to manipulate the textual part of off-the-shelf paired VL datasets. VL models trained with the updated data exhibit a significant improvement of up to 15% in their SVLC understanding with only a mild degradation in their zero-shot capabilities both when training from scratch or fine-tuning a pre-trained model.

We consider the task of data-to-text generation, which aims to create textual output from non-linguistic input. We focus on generating long-form text, i.e., documents with multiple paragraphs, and propose a neural model enhanced with a planning component responsible for organizing high-level information in a coherent and meaningful way. We infer latent plans sequentially with a structured variational model, while interleaving the steps of planning and generation. Text is generated by conditioning on previous variational decisions and previously generated text. Experiments on two data-to-text benchmarks (RotoWire and MLB) show that our model outperforms strong baselines and is sample efficient in the face of limited training data (e.g., a few hundred instances).

Document Structured Extraction (DSE) aims to extract structured content from raw documents. Despite the emergence of numerous DSE systems, their unified evaluation remains inadequate, significantly hindering the field's advancement. This problem is largely attributed to existing benchmark paradigms, which exhibit fragmented and localized characteristics. To address these limitations and offer a thorough evaluation of DSE systems, we introduce a novel benchmark named READoc, which defines DSE as a realistic task of converting unstructured PDFs into semantically rich Markdown. The READoc dataset is derived from 2,233 diverse and real-world documents from arXiv and GitHub. In addition, we develop a DSE Evaluation S^3uite comprising Standardization, Segmentation and Scoring modules, to conduct a unified evaluation of state-of-the-art DSE approaches. By evaluating a range of pipeline tools, expert visual models, and general VLMs, we identify the gap between current work and the unified, realistic DSE objective for the first time. We aspire that READoc will catalyze future research in DSE, fostering more comprehensive and practical solutions.

The field of visually rich document understanding (VRDU) aims to solve a multitude of well-researched NLP tasks in a multi-modal domain. Several datasets exist for research on specific tasks of VRDU such as document classification (DC), key entity extraction (KEE), entity linking, visual question answering (VQA), inter alia. These datasets cover documents like invoices and receipts with sparse annotations such that they support one or two co-related tasks (e.g., entity extraction and entity linking). Unfortunately, only focusing on a single specific of documents or task is not representative of how documents often need to be processed in the wild - where variety in style and requirements is expected. In this paper, we introduce BuDDIE (Business Document Dataset for Information Extraction), the first multi-task dataset of 1,665 real-world business documents that contains rich and dense annotations for DC, KEE, and VQA. Our dataset consists of publicly available business entity documents from US state government websites. The documents are structured and vary in their style and layout across states and types (e.g., forms, certificates, reports, etc.). We provide data variety and quality metrics for BuDDIE as well as a series of baselines for each task. Our baselines cover traditional textual, multi-modal, and large language model approaches to VRDU.

We tackle the problem of learning complex, general behaviors directly in the real world. We propose an approach for robots to efficiently learn manipulation skills using only a handful of real-world interaction trajectories from many different settings. Inspired by the success of learning from large-scale datasets in the fields of computer vision and natural language, our belief is that in order to efficiently learn, a robot must be able to leverage internet-scale, human video data. Humans interact with the world in many interesting ways, which can allow a robot to not only build an understanding of useful actions and affordances but also how these actions affect the world for manipulation. Our approach builds a structured, human-centric action space grounded in visual affordances learned from human videos. Further, we train a world model on human videos and fine-tune on a small amount of robot interaction data without any task supervision. We show that this approach of affordance-space world models enables different robots to learn various manipulation skills in complex settings, in under 30 minutes of interaction. Videos can be found at https://human-world-model.github.io

Despite the remarkable success of Large Language Models (LLMs), the massive size poses significant deployment challenges, particularly on resource-constrained hardware. While existing LLM compression methods focus on quantization, pruning remains relatively unexplored due to the high cost of training-based approaches and data collection challenges. One-shot pruning methods, although cost-effective and data-free, have become dominant in LLM pruning, but lead to performance decline under the structured pruning setting. In this work, we introduce a new paradigm for structurally pruning LLMs, called Compresso. Our approach, through the collaboration of the proposed resource-efficient pruning algorithm and the LLM itself, learns optimal pruning decisions during the training process. Compresso addresses the challenges of expensive training costs and data collection by incorporating Low-Rank Adaptation (LoRA) into the L_0 regularization during the instruction tuning process. Then, we further augment the pruning algorithm by introducing a collaborative prompt that fosters collaboration between the LLM and the pruning algorithm, significantly boosting the overall performance. To this end, Compresso prunes LLaMA-7B to 5.4B, maintaining original performance and even surpassing LLaMA-7B in reading comprehension by 2.62%. Extensive experiments demonstrate that Compresso significantly outperforms one-shot pruning baselines across various sparsity ratios, achieving up to 2.21%, 11.43%, 7.04%, and 4.81% higher scores on the commonsense reasoning, reading comprehension, MMLU, and BBH benchmarks, respectively.

The adoption of Large Language Models (LLMs) for code generation in data science offers substantial potential for enhancing tasks such as data manipulation, statistical analysis, and visualization. However, the effectiveness of these models in the data science domain remains underexplored. This paper presents a controlled experiment that empirically assesses the performance of four leading LLM-based AI assistants-Microsoft Copilot (GPT-4 Turbo), ChatGPT (o1-preview), Claude (3.5 Sonnet), and Perplexity Labs (Llama-3.1-70b-instruct)-on a diverse set of data science coding challenges sourced from the Stratacratch platform. Using the Goal-Question-Metric (GQM) approach, we evaluated each model's effectiveness across task types (Analytical, Algorithm, Visualization) and varying difficulty levels. Our findings reveal that all models exceeded a 50% baseline success rate, confirming their capability beyond random chance. Notably, only ChatGPT and Claude achieved success rates significantly above a 60% baseline, though none of the models reached a 70% threshold, indicating limitations in higher standards. ChatGPT demonstrated consistent performance across varying difficulty levels, while Claude's success rate fluctuated with task complexity. Hypothesis testing indicates that task type does not significantly impact success rate overall. For analytical tasks, efficiency analysis shows no significant differences in execution times, though ChatGPT tended to be slower and less predictable despite high success rates. This study provides a structured, empirical evaluation of LLMs in data science, delivering insights that support informed model selection tailored to specific task demands. Our findings establish a framework for future AI assessments, emphasizing the value of rigorous evaluation beyond basic accuracy measures.

Enabling machines to understand structured visuals like slides and user interfaces is essential for making them accessible to people with disabilities. However, achieving such understanding computationally has required manual data collection and annotation, which is time-consuming and labor-intensive. To overcome this challenge, we present a method to generate synthetic, structured visuals with target labels using code generation. Our method allows people to create datasets with built-in labels and train models with a small number of human-annotated examples. We demonstrate performance improvements in three tasks for understanding slides and UIs: recognizing visual elements, describing visual content, and classifying visual content types.