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Apr 20

AgentSkiller: Scaling Generalist Agent Intelligence through Semantically Integrated Cross-Domain Data Synthesis

Large Language Model agents demonstrate potential in solving real-world problems via tools, yet generalist intelligence is bottlenecked by scarce high-quality, long-horizon data. Existing methods collect privacy-constrained API logs or generate scripted interactions lacking diversity, which struggle to produce data requisite for scaling capabilities. We propose AgentSkiller, a fully automated framework synthesizing multi-turn interaction data across realistic, semantically linked domains. It employs a DAG-based architecture with explicit state transitions to ensure determinism and recoverability. The pipeline builds a domain ontology and Person-Centric Entity Graph, defines tool interfaces via Service Blueprints for Model Context Protocol servers, and populates environments with consistent databases and strict Domain Policies. A cross-domain fusion mechanism links services to simulate complex tasks. Finally, the pipeline creates user tasks by verifying solution paths, filtering via execution-based validation, and generating queries using a Persona-based Simulator for automated rollout. This produces reliable environments with clear state changes. To demonstrate effectiveness, we synthesized approx 11K interaction samples; experimental results indicate that models trained on this dataset achieve significant improvements on function calling over baselines, particularly in larger parameter regimes.

  • 7 authors
·
Feb 9

MSLE: An ontology for Materials Science Laboratory Equipment. Large-Scale Devices for Materials Characterization

This paper introduces a new ontology for Materials Science Laboratory Equipment, termed MSLE. A fundamental issue with materials science laboratory (hereafter lab) equipment in the real world is that scientists work with various types of equipment with multiple specifications. For example, there are many electron microscopes with different parameters in chemical and physical labs. A critical development to unify the description is to build an equipment domain ontology as basic semantic knowledge and to guide the user to work with the equipment appropriately. Here, we propose to develop a consistent ontology for equipment, the MSLE ontology. In the MSLE, two main existing ontologies, the Semantic Sensor Network (SSN) and the Material Vocabulary (MatVoc), have been integrated into the MSLE core to build a coherent ontology. Since various acronyms and terms have been used for equipment, this paper proposes an approach to use a Simple Knowledge Organization System (SKOS) to represent the hierarchical structure of equipment terms. Equipment terms were collected in various languages and abbreviations and coded into the MSLE using the SKOS model. The ontology development was conducted in close collaboration with domain experts and focused on the large-scale devices for materials characterization available in our research group. Competency questions are expected to be addressed through the MSLE ontology. Constraints are modeled in the Shapes Query Language (SHACL); a prototype is shown and validated to show the value of the modeling constraints.

  • 4 authors
·
Aug 7, 2023

Knowledge-Rich Self-Supervision for Biomedical Entity Linking

Entity linking faces significant challenges such as prolific variations and prevalent ambiguities, especially in high-value domains with myriad entities. Standard classification approaches suffer from the annotation bottleneck and cannot effectively handle unseen entities. Zero-shot entity linking has emerged as a promising direction for generalizing to new entities, but it still requires example gold entity mentions during training and canonical descriptions for all entities, both of which are rarely available outside of Wikipedia. In this paper, we explore Knowledge-RIch Self-Supervision (tt KRISS) for biomedical entity linking, by leveraging readily available domain knowledge. In training, it generates self-supervised mention examples on unlabeled text using a domain ontology and trains a contextual encoder using contrastive learning. For inference, it samples self-supervised mentions as prototypes for each entity and conducts linking by mapping the test mention to the most similar prototype. Our approach can easily incorporate entity descriptions and gold mention labels if available. We conducted extensive experiments on seven standard datasets spanning biomedical literature and clinical notes. Without using any labeled information, our method produces tt KRISSBERT, a universal entity linker for four million UMLS entities that attains new state of the art, outperforming prior self-supervised methods by as much as 20 absolute points in accuracy.

  • 9 authors
·
Dec 15, 2021

Infusing clinical knowledge into tokenisers for language models

This study introduces a novel knowledge enhanced tokenisation mechanism, K-Tokeniser, for clinical text processing. Technically, at initialisation stage, K-Tokeniser populates global representations of tokens based on semantic types of domain concepts (such as drugs or diseases) from either a domain ontology like Unified Medical Language System or the training data of the task related corpus. At training or inference stage, sentence level localised context will be utilised for choosing the optimal global token representation to realise the semantic-based tokenisation. To avoid pretraining using the new tokeniser, an embedding initialisation approach is proposed to generate representations for new tokens. Using three transformer-based language models, a comprehensive set of experiments are conducted on four real-world datasets for evaluating K-Tokeniser in a wide range of clinical text analytics tasks including clinical concept and relation extraction, automated clinical coding, clinical phenotype identification, and clinical research article classification. Overall, our models demonstrate consistent improvements over their counterparts in all tasks. In particular, substantial improvements are observed in the automated clinical coding task with 13\% increase on Micro F_1 score. Furthermore, K-Tokeniser also shows significant capacities in facilitating quicker converge of language models. Specifically, using K-Tokeniser, the language models would only require 50\% of the training data to achieve the best performance of the baseline tokeniser using all training data in the concept extraction task and less than 20\% of the data for the automated coding task. It is worth mentioning that all these improvements require no pre-training process, making the approach generalisable.

  • 10 authors
·
Jun 20, 2024

OG-RAG: Ontology-Grounded Retrieval-Augmented Generation For Large Language Models

This paper presents OG-RAG, an Ontology-Grounded Retrieval Augmented Generation method designed to enhance LLM-generated responses by anchoring retrieval processes in domain-specific ontologies. While LLMs are widely used for tasks like question answering and search, they struggle to adapt to specialized knowledge, such as industrial workflows or knowledge work, without expensive fine-tuning or sub-optimal retrieval methods. Existing retrieval-augmented models, such as RAG, offer improvements but fail to account for structured domain knowledge, leading to suboptimal context generation. Ontologies, which conceptually organize domain knowledge by defining entities and their interrelationships, offer a structured representation to address this gap. OG-RAG constructs a hypergraph representation of domain documents, where each hyperedge encapsulates clusters of factual knowledge grounded using domain-specific ontology. An optimization algorithm then retrieves the minimal set of hyperedges that constructs a precise, conceptually grounded context for the LLM. This method enables efficient retrieval while preserving the complex relationships between entities. OG-RAG applies to domains where fact-based reasoning is essential, particularly in tasks that require workflows or decision-making steps to follow predefined rules and procedures. These include industrial workflows in healthcare, legal, and agricultural sectors, as well as knowledge-driven tasks such as news journalism, investigative research, consulting and more. Our evaluations demonstrate that OG-RAG increases the recall of accurate facts by 55% and improves response correctness by 40% across four different LLMs. Additionally, OG-RAG enables 30% faster attribution of responses to context and boosts fact-based reasoning accuracy by 27% compared to baseline methods.

  • 3 authors
·
Dec 11, 2024

Generative Ontology: When Structured Knowledge Learns to Create

Traditional ontologies describe domain structure but cannot generate novel artifacts. Large language models generate fluently but produce outputs lacking structural validity, hallucinating mechanisms without components, goals without end conditions. We introduce Generative Ontology, a framework synthesizing these complementary strengths: ontology provides the grammar; the LLM provides the creativity. Generative Ontology encodes domain knowledge as executable Pydantic schemas constraining LLM generation via DSPy signatures. A multi-agent pipeline assigns specialized roles: a Mechanics Architect designs game systems, a Theme Weaver integrates narrative, a Balance Critic identifies exploits, each carrying a professional "anxiety" that prevents shallow outputs. Retrieval-augmented generation grounds designs in precedents from existing exemplars. We demonstrate the framework through GameGrammar, generating complete tabletop game designs, and present three empirical studies. An ablation study (120 designs, 4 conditions) shows multi-agent specialization produces the largest quality gains (fun d=1.12, depth d=1.59; p<.001), while schema validation eliminates structural errors (d=4.78). A benchmark against 20 published board games reveals structural parity but a bounded creative gap (fun d=1.86): generated designs score 7-8 while published games score 8-9. A test-retest study (50 evaluations) validates the LLM-based evaluator, with 7/9 metrics achieving Good-to-Excellent reliability (ICC 0.836-0.989). The pattern generalizes beyond games. Any domain with expert vocabulary, validity constraints, and accumulated exemplars is a candidate for Generative Ontology.

  • 1 authors
·
Feb 8

Leveraging Large Language Models for Generating Research Topic Ontologies: A Multi-Disciplinary Study

Ontologies and taxonomies of research fields are critical for managing and organising scientific knowledge, as they facilitate efficient classification, dissemination and retrieval of information. However, the creation and maintenance of such ontologies are expensive and time-consuming tasks, usually requiring the coordinated effort of multiple domain experts. Consequently, ontologies in this space often exhibit uneven coverage across different disciplines, limited inter-domain connectivity, and infrequent updating cycles. In this study, we investigate the capability of several large language models to identify semantic relationships among research topics within three academic domains: biomedicine, physics, and engineering. The models were evaluated under three distinct conditions: zero-shot prompting, chain-of-thought prompting, and fine-tuning on existing ontologies. Additionally, we assessed the cross-domain transferability of fine-tuned models by measuring their performance when trained in one domain and subsequently applied to a different one. To support this analysis, we introduce PEM-Rel-8K, a novel dataset consisting of over 8,000 relationships extracted from the most widely adopted taxonomies in the three disciplines considered in this study: MeSH, PhySH, and IEEE. Our experiments demonstrate that fine-tuning LLMs on PEM-Rel-8K yields excellent performance across all disciplines.

  • 4 authors
·
Aug 28, 2025

OntoTune: Ontology-Driven Self-training for Aligning Large Language Models

Existing domain-specific Large Language Models (LLMs) are typically developed by fine-tuning general-purposed LLMs with large-scale domain-specific corpora. However, training on large-scale corpora often fails to effectively organize domain knowledge of LLMs, leading to fragmented understanding. Inspired by how humans connect concepts and organize knowledge through mind maps, we aim to emulate this approach by using ontology with hierarchical conceptual knowledge to reorganize LLM's domain knowledge. From this perspective, we propose an ontology-driven self-training framework called OntoTune, which aims to align LLMs with ontology through in-context learning, enabling the generation of responses guided by the ontology. We leverage in-context learning to identify whether the LLM has acquired the specific concept's ontology knowledge, and select the entries not yet mastered by LLM as the training set to further align the LLM with ontology. Compared to existing domain LLMs based on newly collected large-scale domain-specific corpora, our OntoTune, which relies on the existing, long-term developed ontology and LLM itself, significantly reduces data maintenance costs and offers improved generalization ability. We conduct our study in the medical domain to evaluate the effectiveness of OntoTune, utilizing a standardized medical ontology, SNOMED CT as our ontology source. Experimental results demonstrate that OntoTune achieves state-of-the-art performance in both in-ontology task hypernym discovery and out-of-ontology task medical domain QA. Moreover, compared to the latest direct ontology injection method TaxoLLaMA, our OntoTune better preserves original knowledge of LLM. The code and data are available at https://github.com/zjukg/OntoTune.

  • 8 authors
·
Feb 8, 2025

NLU++: A Multi-Label, Slot-Rich, Generalisable Dataset for Natural Language Understanding in Task-Oriented Dialogue

We present NLU++, a novel dataset for natural language understanding (NLU) in task-oriented dialogue (ToD) systems, with the aim to provide a much more challenging evaluation environment for dialogue NLU models, up to date with the current application and industry requirements. NLU++ is divided into two domains (BANKING and HOTELS) and brings several crucial improvements over current commonly used NLU datasets. 1) NLU++ provides fine-grained domain ontologies with a large set of challenging multi-intent sentences, introducing and validating the idea of intent modules that can be combined into complex intents that convey complex user goals, combined with finer-grained and thus more challenging slot sets. 2) The ontology is divided into domain-specific and generic (i.e., domain-universal) intent modules that overlap across domains, promoting cross-domain reusability of annotated examples. 3) The dataset design has been inspired by the problems observed in industrial ToD systems, and 4) it has been collected, filtered and carefully annotated by dialogue NLU experts, yielding high-quality annotated data. Finally, we benchmark a series of current state-of-the-art NLU models on NLU++; the results demonstrate the challenging nature of the dataset, especially in low-data regimes, the validity of `intent modularisation', and call for further research on ToD NLU.

  • 4 authors
·
Apr 27, 2022

Domain Specialization as the Key to Make Large Language Models Disruptive: A Comprehensive Survey

Large language models (LLMs) have significantly advanced the field of natural language processing (NLP), providing a highly useful, task-agnostic foundation for a wide range of applications. However, directly applying LLMs to solve sophisticated problems in specific domains meets many hurdles, caused by the heterogeneity of domain data, the sophistication of domain knowledge, the uniqueness of domain objectives, and the diversity of the constraints (e.g., various social norms, cultural conformity, religious beliefs, and ethical standards in the domain applications). Domain specification techniques are key to make large language models disruptive in many applications. Specifically, to solve these hurdles, there has been a notable increase in research and practices conducted in recent years on the domain specialization of LLMs. This emerging field of study, with its substantial potential for impact, necessitates a comprehensive and systematic review to better summarize and guide ongoing work in this area. In this article, we present a comprehensive survey on domain specification techniques for large language models, an emerging direction critical for large language model applications. First, we propose a systematic taxonomy that categorizes the LLM domain-specialization techniques based on the accessibility to LLMs and summarizes the framework for all the subcategories as well as their relations and differences to each other. Second, we present an extensive taxonomy of critical application domains that can benefit dramatically from specialized LLMs, discussing their practical significance and open challenges. Last, we offer our insights into the current research status and future trends in this area.

  • 24 authors
·
May 29, 2023

TONE: A 3-Tiered ONtology for Emotion analysis

Emotions have played an important part in many sectors, including psychology, medicine, mental health, computer science, and so on, and categorizing them has proven extremely useful in separating one emotion from another. Emotions can be classified using the following two methods: (1) The supervised method's efficiency is strongly dependent on the size and domain of the data collected. A categorization established using relevant data from one domain may not work well in another. (2) An unsupervised method that uses either domain expertise or a knowledge base of emotion types already exists. Though this second approach provides a suitable and generic categorization of emotions and is cost-effective, the literature doesn't possess a publicly available knowledge base that can be directly applied to any emotion categorization-related task. This pushes us to create a knowledge base that can be used for emotion classification across domains, and ontology is often used for this purpose. In this study, we provide TONE, an emotion-based ontology that effectively creates an emotional hierarchy based on Dr. Gerrod Parrot's group of emotions. In addition to ontology development, we introduce a semi-automated vocabulary construction process to generate a detailed collection of terms for emotions at each tier of the hierarchy. We also demonstrate automated methods for establishing three sorts of dependencies in order to develop linkages between different emotions. Our human and automatic evaluation results show the ontology's quality. Furthermore, we describe three distinct use cases that demonstrate the applicability of our ontology.

  • 3 authors
·
Jan 10, 2024

MARK: Memory Augmented Refinement of Knowledge

Large Language Models (LLMs) assist in specialized tasks but struggle to align with evolving domain knowledge without costly fine-tuning. Domain knowledge consists of: Knowledge: Immutable facts (e.g., 'A stone is solid') and generally accepted principles (e.g., ethical standards); Refined Memory: Evolving insights shaped by business needs and real-world changes. However, a significant gap often exists between a domain expert's deep, nuanced understanding and the system's domain knowledge, which can hinder accurate information retrieval and application. Our Memory-Augmented Refinement of Knowledge (MARK) framework enables LLMs to continuously learn without retraining by leveraging structured refined memory, inspired by the Society of Mind. MARK operates through specialized agents, each serving a distinct role: Residual Refined Memory Agent: Stores and retrieves domain-specific insights to maintain context over time; User Question Refined Memory Agent: Captures user-provided facts, abbreviations, and terminology for better comprehension; LLM Response Refined Memory Agent: Extracts key elements from responses for refinement and personalization. These agents analyse stored refined memory, detect patterns, resolve contradictions, and improve response accuracy. Temporal factors like recency and frequency prioritize relevant information while discarding outdated insights. MARK enhances LLMs in multiple ways: Ground Truth Strategy: Reduces hallucinations by establishing a structured reference; Domain-Specific Adaptation: Essential for fields like healthcare, law, and manufacturing, where proprietary insights are absent from public datasets; Personalized AI Assistants: Improves virtual assistants by remembering user preferences, ensuring coherent responses over time.

  • 3 authors
·
May 8, 2025

Heterogeneous LLM Methods for Ontology Learning (Few-Shot Prompting, Ensemble Typing, and Attention-Based Taxonomies)

We present a comprehensive system for addressing Tasks A, B, and C of the LLMs4OL 2025 challenge, which together span the full ontology construction pipeline: term extraction, typing, and taxonomy discovery. Our approach combines retrieval-augmented prompting, zero-shot classification, and attention-based graph modeling -- each tailored to the demands of the respective task. For Task A, we jointly extract domain-specific terms and their ontological types using a retrieval-augmented generation (RAG) pipeline. Training data was reformulated into a document to terms and types correspondence, while test-time inference leverages semantically similar training examples. This single-pass method requires no model finetuning and improves overall performance through lexical augmentation Task B, which involves assigning types to given terms, is handled via a dual strategy. In the few-shot setting (for domains with labeled training data), we reuse the RAG scheme with few-shot prompting. In the zero-shot setting (for previously unseen domains), we use a zero-shot classifier that combines cosine similarity scores from multiple embedding models using confidence-based weighting. In Task C, we model taxonomy discovery as graph inference. Using embeddings of type labels, we train a lightweight cross-attention layer to predict is-a relations by approximating a soft adjacency matrix. These modular, task-specific solutions enabled us to achieve top-ranking results in the official leaderboard across all three tasks. Taken together these strategies showcase the scalability, adaptability, and robustness of LLM-based architectures for ontology learning across heterogeneous domains. Code is available at: https://github.com/BelyaevaAlex/LLMs4OL-Challenge-Alexbek

  • 2 authors
·
Aug 26, 2025

A Change Language for Ontologies and Knowledge Graphs

Ontologies and knowledge graphs (KGs) are general-purpose computable representations of some domain, such as human anatomy, and are frequently a crucial part of modern information systems. Most of these structures change over time, incorporating new knowledge or information that was previously missing. Managing these changes is a challenge, both in terms of communicating changes to users, and providing mechanisms to make it easier for multiple stakeholders to contribute. To fill that need, we have created KGCL, the Knowledge Graph Change Language, a standard data model for describing changes to KGs and ontologies at a high level, and an accompanying human-readable controlled natural language. This language serves two purposes: a curator can use it to request desired changes, and it can also be used to describe changes that have already happened, corresponding to the concepts of "apply patch" and "diff" commonly used for managing changes in text documents and computer programs. Another key feature of KGCL is that descriptions are at a high enough level to be useful and understood by a variety of stakeholders--for example, ontology edits can be specified by commands like "add synonym 'arm' to 'forelimb'" or "move 'Parkinson disease' under 'neurodegenerative disease'". We have also built a suite of tools for managing ontology changes. These include an automated agent that integrates with and monitors GitHub ontology repositories and applies any requested changes, and a new component in the BioPortal ontology resource that allows users to make change requests directly from within the BioPortal user interface. Overall, the KGCL data model, its controlled natural language, and associated tooling allow for easier management and processing of changes associated with the development of ontologies and KGs.

  • 12 authors
·
Sep 20, 2024

An MLCommons Scientific Benchmarks Ontology

Scientific machine learning research spans diverse domains and data modalities, yet existing benchmark efforts remain siloed and lack standardization. This makes novel and transformative applications of machine learning to critical scientific use-cases more fragmented and less clear in pathways to impact. This paper introduces an ontology for scientific benchmarking developed through a unified, community-driven effort that extends the MLCommons ecosystem to cover physics, chemistry, materials science, biology, climate science, and more. Building on prior initiatives such as XAI-BENCH, FastML Science Benchmarks, PDEBench, and the SciMLBench framework, our effort consolidates a large set of disparate benchmarks and frameworks into a single taxonomy of scientific, application, and system-level benchmarks. New benchmarks can be added through an open submission workflow coordinated by the MLCommons Science Working Group and evaluated against a six-category rating rubric that promotes and identifies high-quality benchmarks, enabling stakeholders to select benchmarks that meet their specific needs. The architecture is extensible, supporting future scientific and AI/ML motifs, and we discuss methods for identifying emerging computing patterns for unique scientific workloads. The MLCommons Science Benchmarks Ontology provides a standardized, scalable foundation for reproducible, cross-domain benchmarking in scientific machine learning. A companion webpage for this work has also been developed as the effort evolves: https://mlcommons-science.github.io/benchmark/

  • 9 authors
·
Nov 6, 2025

Discerning and Characterising Types of Competency Questions for Ontologies

Competency Questions (CQs) are widely used in ontology development by guiding, among others, the scoping and validation stages. However, very limited guidance exists for formulating CQs and assessing whether they are good CQs, leading to issues such as ambiguity and unusable formulations. To solve this, one requires insight into the nature of CQs for ontologies and their constituent parts, as well as which ones are not. We aim to contribute to such theoretical foundations in this paper, which is informed by analysing questions, their uses, and the myriad of ontology development tasks. This resulted in a first Model for Competency Questions, which comprises five main types of CQs, each with a different purpose: Scoping (SCQ), Validating (VCQ), Foundational (FCQ), Relationship (RCQ), and Metaproperty (MpCQ) questions. This model enhances the clarity of CQs and therewith aims to improve on the effectiveness of CQs in ontology development, thanks to their respective identifiable distinct constituent elements. We illustrate and evaluate them with a user story and demonstrate where which type can be used in ontology development tasks. To foster use and research, we created an annotated repository of 438 CQs, the Repository of Ontology Competency QuestionS (ROCQS), incorporating an existing CQ dataset and new CQs and CQ templates, which further demonstrate distinctions among types of CQs.

  • 2 authors
·
Dec 18, 2024

Domain and Function: A Dual-Space Model of Semantic Relations and Compositions

Given appropriate representations of the semantic relations between carpenter and wood and between mason and stone (for example, vectors in a vector space model), a suitable algorithm should be able to recognize that these relations are highly similar (carpenter is to wood as mason is to stone; the relations are analogous). Likewise, with representations of dog, house, and kennel, an algorithm should be able to recognize that the semantic composition of dog and house, dog house, is highly similar to kennel (dog house and kennel are synonymous). It seems that these two tasks, recognizing relations and compositions, are closely connected. However, up to now, the best models for relations are significantly different from the best models for compositions. In this paper, we introduce a dual-space model that unifies these two tasks. This model matches the performance of the best previous models for relations and compositions. The dual-space model consists of a space for measuring domain similarity and a space for measuring function similarity. Carpenter and wood share the same domain, the domain of carpentry. Mason and stone share the same domain, the domain of masonry. Carpenter and mason share the same function, the function of artisans. Wood and stone share the same function, the function of materials. In the composition dog house, kennel has some domain overlap with both dog and house (the domains of pets and buildings). The function of kennel is similar to the function of house (the function of shelters). By combining domain and function similarities in various ways, we can model relations, compositions, and other aspects of semantics.

  • 1 authors
·
Sep 16, 2013

OpenMEDLab: An Open-source Platform for Multi-modality Foundation Models in Medicine

The emerging trend of advancing generalist artificial intelligence, such as GPTv4 and Gemini, has reshaped the landscape of research (academia and industry) in machine learning and many other research areas. However, domain-specific applications of such foundation models (e.g., in medicine) remain untouched or often at their very early stages. It will require an individual set of transfer learning and model adaptation techniques by further expanding and injecting these models with domain knowledge and data. The development of such technologies could be largely accelerated if the bundle of data, algorithms, and pre-trained foundation models were gathered together and open-sourced in an organized manner. In this work, we present OpenMEDLab, an open-source platform for multi-modality foundation models. It encapsulates not only solutions of pioneering attempts in prompting and fine-tuning large language and vision models for frontline clinical and bioinformatic applications but also building domain-specific foundation models with large-scale multi-modal medical data. Importantly, it opens access to a group of pre-trained foundation models for various medical image modalities, clinical text, protein engineering, etc. Inspiring and competitive results are also demonstrated for each collected approach and model in a variety of benchmarks for downstream tasks. We welcome researchers in the field of medical artificial intelligence to continuously contribute cutting-edge methods and models to OpenMEDLab, which can be accessed via https://github.com/openmedlab.

  • 20 authors
·
Feb 27, 2024

The Science Data Lake: A Unified Open Infrastructure Integrating 293 Million Papers Across Eight Scholarly Sources with Embedding-Based Ontology Alignment

Scholarly data are largely fragmented across siloed databases with divergent metadata and missing linkages among them. We present the Science Data Lake, a locally-deployable infrastructure built on DuckDB and simple Parquet files that unifies eight open sources - Semantic Scholar, OpenAlex, SciSciNet, Papers with Code, Retraction Watch, Reliance on Science, a preprint-to-published mapping, and Crossref - via DOI normalization while preserving source-level schemas. The resource comprises approximately 960GB of Parquet files spanning ~293 million uniquely identifiable papers across ~22 schemas and ~153 SQL views. An embedding-based ontology alignment using BGE-large sentence embeddings maps 4,516 OpenAlex topics to 13 scientific ontologies (~1.3 million terms), yielding 16,150 mappings covering 99.8% of topics (geq 0.65 threshold) with F1 = 0.77 at the recommended geq 0.85 operating point, outperforming TF-IDF, BM25, and Jaro-Winkler baselines on a 300-pair gold-standard evaluation. We validate through 10 automated checks, cross-source citation agreement analysis (pairwise Pearson r = 0.76 - 0.87), and stratified manual annotation. Four vignettes demonstrate cross-source analyses infeasible with any single database. The resource is open source, deployable on a single drive or queryable remotely via HuggingFace, and includes structured documentation suitable for large language model (LLM) based research agents.

  • 1 authors
·
Mar 3

A large collection of bioinformatics question-query pairs over federated knowledge graphs: methodology and applications

Background. In the last decades, several life science resources have structured data using the same framework and made these accessible using the same query language to facilitate interoperability. Knowledge graphs have seen increased adoption in bioinformatics due to their advantages for representing data in a generic graph format. For example, yummydata.org catalogs more than 60 knowledge graphs accessible through SPARQL, a technical query language. Although SPARQL allows powerful, expressive queries, even across physically distributed knowledge graphs, formulating such queries is a challenge for most users. Therefore, to guide users in retrieving the relevant data, many of these resources provide representative examples. These examples can also be an important source of information for machine learning, if a sufficiently large number of examples are provided and published in a common, machine-readable and standardized format across different resources. Findings. We introduce a large collection of human-written natural language questions and their corresponding SPARQL queries over federated bioinformatics knowledge graphs (KGs) collected for several years across different research groups at the SIB Swiss Institute of Bioinformatics. The collection comprises more than 1000 example questions and queries, including 65 federated queries. We propose a methodology to uniformly represent the examples with minimal metadata, based on existing standards. Furthermore, we introduce an extensive set of open-source applications, including query graph visualizations and smart query editors, easily reusable by KG maintainers who adopt the proposed methodology. Conclusions. We encourage the community to adopt and extend the proposed methodology, towards richer KG metadata and improved Semantic Web services.

  • 17 authors
·
Oct 8, 2024

MarineEval: Assessing the Marine Intelligence of Vision-Language Models

We have witnessed promising progress led by large language models (LLMs) and further vision language models (VLMs) in handling various queries as a general-purpose assistant. VLMs, as a bridge to connect the visual world and language corpus, receive both visual content and various text-only user instructions to generate corresponding responses. Though great success has been achieved by VLMs in various fields, in this work, we ask whether the existing VLMs can act as domain experts, accurately answering marine questions, which require significant domain expertise and address special domain challenges/requirements. To comprehensively evaluate the effectiveness and explore the boundary of existing VLMs, we construct the first large-scale marine VLM dataset and benchmark called MarineEval, with 2,000 image-based question-answering pairs. During our dataset construction, we ensure the diversity and coverage of the constructed data: 7 task dimensions and 20 capacity dimensions. The domain requirements are specially integrated into the data construction and further verified by the corresponding marine domain experts. We comprehensively benchmark 17 existing VLMs on our MarineEval and also investigate the limitations of existing models in answering marine research questions. The experimental results reveal that existing VLMs cannot effectively answer the domain-specific questions, and there is still a large room for further performance improvements. We hope our new benchmark and observations will facilitate future research. Project Page: http://marineeval.hkustvgd.com/

  • 5 authors
·
Dec 24, 2025

Structured prompt interrogation and recursive extraction of semantics (SPIRES): A method for populating knowledge bases using zero-shot learning

Creating knowledge bases and ontologies is a time consuming task that relies on a manual curation. AI/NLP approaches can assist expert curators in populating these knowledge bases, but current approaches rely on extensive training data, and are not able to populate arbitrary complex nested knowledge schemas. Here we present Structured Prompt Interrogation and Recursive Extraction of Semantics (SPIRES), a Knowledge Extraction approach that relies on the ability of Large Language Models (LLMs) to perform zero-shot learning (ZSL) and general-purpose query answering from flexible prompts and return information conforming to a specified schema. Given a detailed, user-defined knowledge schema and an input text, SPIRES recursively performs prompt interrogation against GPT-3+ to obtain a set of responses matching the provided schema. SPIRES uses existing ontologies and vocabularies to provide identifiers for all matched elements. We present examples of use of SPIRES in different domains, including extraction of food recipes, multi-species cellular signaling pathways, disease treatments, multi-step drug mechanisms, and chemical to disease causation graphs. Current SPIRES accuracy is comparable to the mid-range of existing Relation Extraction (RE) methods, but has the advantage of easy customization, flexibility, and, crucially, the ability to perform new tasks in the absence of any training data. This method supports a general strategy of leveraging the language interpreting capabilities of LLMs to assemble knowledge bases, assisting manual knowledge curation and acquisition while supporting validation with publicly-available databases and ontologies external to the LLM. SPIRES is available as part of the open source OntoGPT package: https://github.com/ monarch-initiative/ontogpt.

  • 12 authors
·
Apr 5, 2023

Localizing Open-Ontology QA Semantic Parsers in a Day Using Machine Translation

We propose Semantic Parser Localizer (SPL), a toolkit that leverages Neural Machine Translation (NMT) systems to localize a semantic parser for a new language. Our methodology is to (1) generate training data automatically in the target language by augmenting machine-translated datasets with local entities scraped from public websites, (2) add a few-shot boost of human-translated sentences and train a novel XLMR-LSTM semantic parser, and (3) test the model on natural utterances curated using human translators. We assess the effectiveness of our approach by extending the current capabilities of Schema2QA, a system for English Question Answering (QA) on the open web, to 10 new languages for the restaurants and hotels domains. Our models achieve an overall test accuracy ranging between 61% and 69% for the hotels domain and between 64% and 78% for restaurants domain, which compares favorably to 69% and 80% obtained for English parser trained on gold English data and a few examples from validation set. We show our approach outperforms the previous state-of-the-art methodology by more than 30% for hotels and 40% for restaurants with localized ontologies for the subset of languages tested. Our methodology enables any software developer to add a new language capability to a QA system for a new domain, leveraging machine translation, in less than 24 hours.

Do LLMs Really Adapt to Domains? An Ontology Learning Perspective

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.

  • 3 authors
·
Jul 29, 2024

OntoChatGPT Information System: Ontology-Driven Structured Prompts for ChatGPT Meta-Learning

This research presents a comprehensive methodology for utilizing an ontology-driven structured prompts system in interplay with ChatGPT, a widely used large language model (LLM). The study develops formal models, both information and functional, and establishes the methodological foundations for integrating ontology-driven prompts with ChatGPT's meta-learning capabilities. The resulting productive triad comprises the methodological foundations, advanced information technology, and the OntoChatGPT system, which collectively enhance the effectiveness and performance of chatbot systems. The implementation of this technology is demonstrated using the Ukrainian language within the domain of rehabilitation. By applying the proposed methodology, the OntoChatGPT system effectively extracts entities from contexts, classifies them, and generates relevant responses. The study highlights the versatility of the methodology, emphasizing its applicability not only to ChatGPT but also to other chatbot systems based on LLMs, such as Google's Bard utilizing the PaLM 2 LLM. The underlying principles of meta-learning, structured prompts, and ontology-driven information retrieval form the core of the proposed methodology, enabling their adaptation and utilization in various LLM-based systems. This versatile approach opens up new possibilities for NLP and dialogue systems, empowering developers to enhance the performance and functionality of chatbot systems across different domains and languages.

  • 4 authors
·
Jul 11, 2023

Injecting Domain-Specific Knowledge into Large Language Models: A Comprehensive Survey

Large Language Models (LLMs) have demonstrated remarkable success in various tasks such as natural language understanding, text summarization, and machine translation. However, their general-purpose nature often limits their effectiveness in domain-specific applications that require specialized knowledge, such as healthcare, chemistry, or legal analysis. To address this, researchers have explored diverse methods to enhance LLMs by integrating domain-specific knowledge. In this survey, we provide a comprehensive overview of these methods, which we categorize into four key approaches: dynamic knowledge injection, static knowledge embedding, modular adapters, and prompt optimization. Each approach offers unique mechanisms to equip LLMs with domain expertise, balancing trade-offs between flexibility, scalability, and efficiency. We discuss how these methods enable LLMs to tackle specialized tasks, compare their advantages and disadvantages, evaluate domain-specific LLMs against general LLMs, and highlight the challenges and opportunities in this emerging field. For those interested in delving deeper into this area, we also summarize the commonly used datasets and benchmarks. To keep researchers updated on the latest studies, we maintain an open-source at: https://github.com/abilliyb/Knowledge_Injection_Survey_Papers, dedicated to documenting research in the field of specialized LLM.

  • 7 authors
·
Feb 15, 2025 2

Ontology-Based Concept Distillation for Radiology Report Retrieval and Labeling

Retrieval-augmented learning based on radiology reports has emerged as a promising direction to improve performance on long-tail medical imaging tasks, such as rare disease detection in chest X-rays. Most existing methods rely on comparing high-dimensional text embeddings from models like CLIP or CXR-BERT, which are often difficult to interpret, computationally expensive, and not well-aligned with the structured nature of medical knowledge. We propose a novel, ontology-driven alternative for comparing radiology report texts based on clinically grounded concepts from the Unified Medical Language System (UMLS). Our method extracts standardised medical entities from free-text reports using an enhanced pipeline built on RadGraph-XL and SapBERT. These entities are linked to UMLS concepts (CUIs), enabling a transparent, interpretable set-based representation of each report. We then define a task-adaptive similarity measure based on a modified and weighted version of the Tversky Index that accounts for synonymy, negation, and hierarchical relationships between medical entities. This allows efficient and semantically meaningful similarity comparisons between reports. We demonstrate that our approach outperforms state-of-the-art embedding-based retrieval methods in a radiograph classification task on MIMIC-CXR, particularly in long-tail settings. Additionally, we use our pipeline to generate ontology-backed disease labels for MIMIC-CXR, offering a valuable new resource for downstream learning tasks. Our work provides more explainable, reliable, and task-specific retrieval strategies in clinical AI systems, especially when interpretability and domain knowledge integration are essential. Our code is available at https://github.com/Felix-012/ontology-concept-distillation

  • 3 authors
·
Aug 27, 2025

Towards Scalable Multi-domain Conversational Agents: The Schema-Guided Dialogue Dataset

Virtual assistants such as Google Assistant, Alexa and Siri provide a conversational interface to a large number of services and APIs spanning multiple domains. Such systems need to support an ever-increasing number of services with possibly overlapping functionality. Furthermore, some of these services have little to no training data available. Existing public datasets for task-oriented dialogue do not sufficiently capture these challenges since they cover few domains and assume a single static ontology per domain. In this work, we introduce the the Schema-Guided Dialogue (SGD) dataset, containing over 16k multi-domain conversations spanning 16 domains. Our dataset exceeds the existing task-oriented dialogue corpora in scale, while also highlighting the challenges associated with building large-scale virtual assistants. It provides a challenging testbed for a number of tasks including language understanding, slot filling, dialogue state tracking and response generation. Along the same lines, we present a schema-guided paradigm for task-oriented dialogue, in which predictions are made over a dynamic set of intents and slots, provided as input, using their natural language descriptions. This allows a single dialogue system to easily support a large number of services and facilitates simple integration of new services without requiring additional training data. Building upon the proposed paradigm, we release a model for dialogue state tracking capable of zero-shot generalization to new APIs, while remaining competitive in the regular setting.

  • 5 authors
·
Sep 12, 2019

Automating Intervention Discovery from Scientific Literature: A Progressive Ontology Prompting and Dual-LLM Framework

Identifying effective interventions from the scientific literature is challenging due to the high volume of publications, specialized terminology, and inconsistent reporting formats, making manual curation laborious and prone to oversight. To address this challenge, this paper proposes a novel framework leveraging large language models (LLMs), which integrates a progressive ontology prompting (POP) algorithm with a dual-agent system, named LLM-Duo. On the one hand, the POP algorithm conducts a prioritized breadth-first search (BFS) across a predefined ontology, generating structured prompt templates and action sequences to guide the automatic annotation process. On the other hand, the LLM-Duo system features two specialized LLM agents, an explorer and an evaluator, working collaboratively and adversarially to continuously refine annotation quality. We showcase the real-world applicability of our framework through a case study focused on speech-language intervention discovery. Experimental results show that our approach surpasses advanced baselines, achieving more accurate and comprehensive annotations through a fully automated process. Our approach successfully identified 2,421 interventions from a corpus of 64,177 research articles in the speech-language pathology domain, culminating in the creation of a publicly accessible intervention knowledge base with great potential to benefit the speech-language pathology community.

  • 8 authors
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Aug 20, 2024

Improving Medical Reasoning through Retrieval and Self-Reflection with Retrieval-Augmented Large Language Models

Recent proprietary large language models (LLMs), such as GPT-4, have achieved a milestone in tackling diverse challenges in the biomedical domain, ranging from multiple-choice questions to long-form generations. To address challenges that still cannot be handled with the encoded knowledge of LLMs, various retrieval-augmented generation (RAG) methods have been developed by searching documents from the knowledge corpus and appending them unconditionally or selectively to the input of LLMs for generation. However, when applying existing methods to different domain-specific problems, poor generalization becomes apparent, leading to fetching incorrect documents or making inaccurate judgments. In this paper, we introduce Self-BioRAG, a framework reliable for biomedical text that specializes in generating explanations, retrieving domain-specific documents, and self-reflecting generated responses. We utilize 84k filtered biomedical instruction sets to train Self-BioRAG that can assess its generated explanations with customized reflective tokens. Our work proves that domain-specific components, such as a retriever, domain-related document corpus, and instruction sets are necessary for adhering to domain-related instructions. Using three major medical question-answering benchmark datasets, experimental results of Self-BioRAG demonstrate significant performance gains by achieving a 7.2% absolute improvement on average over the state-of-the-art open-foundation model with a parameter size of 7B or less. Overall, we analyze that Self-BioRAG finds the clues in the question, retrieves relevant documents if needed, and understands how to answer with information from retrieved documents and encoded knowledge as a medical expert does. We release our data and code for training our framework components and model weights (7B and 13B) to enhance capabilities in biomedical and clinical domains.

  • 4 authors
·
Jan 26, 2024

Towards Contextual Sensitive Data Detection

The emergence of open data portals necessitates more attention to protecting sensitive data before datasets get published and exchanged. While an abundance of methods for suppressing sensitive data exist, the conceptualization of sensitive data and methods to detect it, focus particularly on personal data that, if disclosed, may be harmful or violate privacy. We observe the need for refining and broadening our definitions of sensitive data, and argue that the sensitivity of data depends on its context. Based on this definition, we introduce two mechanisms for contextual sensitive data detection that consider the broader context of a dataset at hand. First, we introduce type contextualization, which first detects the semantic type of particular data values, then considers the overall context of the data values within the dataset or document. Second, we introduce domain contextualization which determines sensitivity of a given dataset in the broader context based on the retrieval of relevant rules from documents that specify data sensitivity (e.g., data topic and geographic origin). Experiments with these mechanisms, assisted by large language models (LLMs), confirm that: 1) type-contextualization significantly reduces the number of false positives for type-based sensitive data detection and reaches a recall of 94% compared to 63% with commercial tools, and 2) domain-contextualization leveraging sensitivity rule retrieval is effective for context-grounded sensitive data detection in non-standard data domains such as humanitarian datasets. Evaluation with humanitarian data experts also reveals that context-grounded LLM explanations provide useful guidance in manual data auditing processes, improving consistency. We open-source mechanisms and annotated datasets for contextual sensitive data detection at https://github.com/trl-lab/sensitive-data-detection.

  • 2 authors
·
Dec 2, 2025

MultiWOZ 2.1: A Consolidated Multi-Domain Dialogue Dataset with State Corrections and State Tracking Baselines

MultiWOZ 2.0 (Budzianowski et al., 2018) is a recently released multi-domain dialogue dataset spanning 7 distinct domains and containing over 10,000 dialogues. Though immensely useful and one of the largest resources of its kind to-date, MultiWOZ 2.0 has a few shortcomings. Firstly, there is substantial noise in the dialogue state annotations and dialogue utterances which negatively impact the performance of state-tracking models. Secondly, follow-up work (Lee et al., 2019) has augmented the original dataset with user dialogue acts. This leads to multiple co-existent versions of the same dataset with minor modifications. In this work we tackle the aforementioned issues by introducing MultiWOZ 2.1. To fix the noisy state annotations, we use crowdsourced workers to re-annotate state and utterances based on the original utterances in the dataset. This correction process results in changes to over 32% of state annotations across 40% of the dialogue turns. In addition, we fix 146 dialogue utterances by canonicalizing slot values in the utterances to the values in the dataset ontology. To address the second problem, we combined the contributions of the follow-up works into MultiWOZ 2.1. Hence, our dataset also includes user dialogue acts as well as multiple slot descriptions per dialogue state slot. We then benchmark a number of state-of-the-art dialogue state tracking models on the MultiWOZ 2.1 dataset and show the joint state tracking performance on the corrected state annotations. We are publicly releasing MultiWOZ 2.1 to the community, hoping that this dataset resource will allow for more effective models across various dialogue subproblems to be built in the future.

  • 10 authors
·
Jul 2, 2019

A New Pipeline For Generating Instruction Dataset via RAG and Self Fine-Tuning

With the rapid development of large language models in recent years, there has been an increasing demand for domain-specific Agents that can cater to the unique needs of enterprises and organizations. Unlike general models, which strive for broad coverage, these specialized Agents rely on focused datasets tailored to their intended applications. This research proposes a pipeline that leverages the power of LLMs and the Retrieval-Augmented Generation related framework to construct high-quality instruction datasets for fine-tuning on specific domains using custom document collections. By ingesting domain-specific documents, the pipeline generates relevant and contextually appropriate instructions, thus effectively creating a comprehensive dataset for fine-tuning LLMs on the target domain. This approach overcomes the limitations of traditional dataset creation methods, which often rely on manual curation or web-scraping techniques that may introduce noise and irrelevant data. Notably, our pipeline offers a dynamic solution that can quickly adapt to updates or modifications in the domain-specific document collection, eliminating the need for complete retraining. Additionally, it addresses the challenge of data scarcity by enabling the generation of instruction datasets from a limited set of initial documents, rendering it suitable for unpopular or specialized domains where comprehensive datasets are scarce. As a case study, we apply this approach to the domain of psychiatry, a field requiring specialized knowledge and sensitive handling of patient information. The resulting fine-tuned LLM demonstrates showcases the viability of the proposed approach and underscores its potential for widespread adoption across various industries and domains where tailored, accurate, and contextually relevant language models are indispensable.

  • 3 authors
·
Aug 11, 2024

Leveraging Pre-trained Large Language Models to Construct and Utilize World Models for Model-based Task Planning

There is a growing interest in applying pre-trained large language models (LLMs) to planning problems. However, methods that use LLMs directly as planners are currently impractical due to several factors, including limited correctness of plans, strong reliance on feedback from interactions with simulators or even the actual environment, and the inefficiency in utilizing human feedback. In this work, we introduce a novel alternative paradigm that constructs an explicit world (domain) model in planning domain definition language (PDDL) and then uses it to plan with sound domain-independent planners. To address the fact that LLMs may not generate a fully functional PDDL model initially, we employ LLMs as an interface between PDDL and sources of corrective feedback, such as PDDL validators and humans. For users who lack a background in PDDL, we show that LLMs can translate PDDL into natural language and effectively encode corrective feedback back to the underlying domain model. Our framework not only enjoys the correctness guarantee offered by the external planners but also reduces human involvement by allowing users to correct domain models at the beginning, rather than inspecting and correcting (through interactive prompting) every generated plan as in previous work. On two IPC domains and a Household domain that is more complicated than commonly used benchmarks such as ALFWorld, we demonstrate that GPT-4 can be leveraged to produce high-quality PDDL models for over 40 actions, and the corrected PDDL models are then used to successfully solve 48 challenging planning tasks. Resources including the source code will be released at: https://guansuns.github.io/pages/llm-dm.

  • 4 authors
·
May 24, 2023

Talking to GDELT Through Knowledge Graphs

In this work we study various Retrieval Augmented Regeneration (RAG) approaches to gain an understanding of the strengths and weaknesses of each approach in a question-answering analysis. To gain this understanding we use a case-study subset of the Global Database of Events, Language, and Tone (GDELT) dataset as well as a corpus of raw text scraped from the online news articles. To retrieve information from the text corpus we implement a traditional vector store RAG as well as state-of-the-art large language model (LLM) based approaches for automatically constructing KGs and retrieving the relevant subgraphs. In addition to these corpus approaches, we develop a novel ontology-based framework for constructing knowledge graphs (KGs) from GDELT directly which leverages the underlying schema of GDELT to create structured representations of global events. For retrieving relevant information from the ontology-based KGs we implement both direct graph queries and state-of-the-art graph retrieval approaches. We compare the performance of each method in a question-answering task. We find that while our ontology-based KGs are valuable for question-answering, automated extraction of the relevant subgraphs is challenging. Conversely, LLM-generated KGs, while capturing event summaries, often lack consistency and interpretability. Our findings suggest benefits of a synergistic approach between ontology and LLM-based KG construction, with proposed avenues toward that end.

  • 7 authors
·
Mar 10, 2025

Computer Science Named Entity Recognition in the Open Research Knowledge Graph

Domain-specific named entity recognition (NER) on Computer Science (CS) scholarly articles is an information extraction task that is arguably more challenging for the various annotation aims that can beset the task and has been less studied than NER in the general domain. Given that significant progress has been made on NER, we believe that scholarly domain-specific NER will receive increasing attention in the years to come. Currently, progress on CS NER -- the focus of this work -- is hampered in part by its recency and the lack of a standardized annotation aim for scientific entities/terms. This work proposes a standardized task by defining a set of seven contribution-centric scholarly entities for CS NER viz., research problem, solution, resource, language, tool, method, and dataset. Following which, its main contributions are: combines existing CS NER resources that maintain their annotation focus on the set or subset of contribution-centric scholarly entities we consider; further, noting the need for big data to train neural NER models, this work additionally supplies thousands of contribution-centric entity annotations from article titles and abstracts, thus releasing a cumulative large novel resource for CS NER; and, finally, trains a sequence labeling CS NER model inspired after state-of-the-art neural architectures from the general domain NER task. Throughout the work, several practical considerations are made which can be useful to information technology designers of the digital libraries.

  • 2 authors
·
Mar 28, 2022

HyDRA: A Hybrid-Driven Reasoning Architecture for Verifiable Knowledge Graphs

The synergy between symbolic knowledge, often represented by Knowledge Graphs (KGs), and the generative capabilities of neural networks is central to advancing neurosymbolic AI. A primary bottleneck in realizing this potential is the difficulty of automating KG construction, which faces challenges related to output reliability, consistency, and verifiability. These issues can manifest as structural inconsistencies within the generated graphs, such as the formation of disconnected isolated islands of data or the inaccurate conflation of abstract classes with specific instances. To address these challenges, we propose HyDRA, a Hybrid-Driven Reasoning Architecture designed for verifiable KG automation. Given a domain or an initial set of documents, HyDRA first constructs an ontology via a panel of collaborative neurosymbolic agents. These agents collaboratively agree on a set of competency questions (CQs) that define the scope and requirements the ontology must be able to answer. Given these CQs, we build an ontology graph that subsequently guides the automated extraction of triplets for KG generation from arbitrary documents. Inspired by design-by-contracts (DbC) principles, our method leverages verifiable contracts as the primary control mechanism to steer the generative process of Large Language Models (LLMs). To verify the output of our approach, we extend beyond standard benchmarks and propose an evaluation framework that assesses the functional correctness of the resulting KG by leveraging symbolic verifications as described by the neurosymbolic AI framework, SymbolicAI. This work contributes a hybrid-driven architecture for improving the reliability of automated KG construction and the exploration of evaluation methods for measuring the functional integrity of its output. The code is publicly available.

  • 5 authors
·
Jul 21, 2025

SCP-116K: A High-Quality Problem-Solution Dataset and a Generalized Pipeline for Automated Extraction in the Higher Education Science Domain

Recent breakthroughs in large language models (LLMs) exemplified by the impressive mathematical and scientific reasoning capabilities of the o1 model have spotlighted the critical importance of high-quality training data in advancing LLM performance across STEM disciplines. While the mathematics community has benefited from a growing body of curated datasets, the scientific domain at the higher education level has long suffered from a scarcity of comparable resources. To address this gap, we present SCP-116K, a new large-scale dataset of 116,756 high-quality problem-solution pairs, automatically extracted from heterogeneous sources using a streamlined and highly generalizable pipeline. Our approach involves stringent filtering to ensure the scientific rigor and educational level of the extracted materials, while maintaining adaptability for future expansions or domain transfers. By openly releasing both the dataset and the extraction pipeline, we seek to foster research on scientific reasoning, enable comprehensive performance evaluations of new LLMs, and lower the barrier to replicating the successes of advanced models like o1 in the broader science community. We believe SCP-116K will serve as a critical resource, catalyzing progress in high-level scientific reasoning tasks and promoting further innovations in LLM development. The dataset and code are publicly available at https://github.com/AQA6666/SCP-116K-open.

  • 8 authors
·
Jan 26, 2025

SAMGPT: Text-free Graph Foundation Model for Multi-domain Pre-training and Cross-domain Adaptation

Graphs are able to model interconnected entities in many online services, supporting a wide range of applications on the Web. This raises an important question: How can we train a graph foundational model on multiple source domains and adapt to an unseen target domain? A major obstacle is that graphs from different domains often exhibit divergent characteristics. Some studies leverage large language models to align multiple domains based on textual descriptions associated with the graphs, limiting their applicability to text-attributed graphs. For text-free graphs, a few recent works attempt to align different feature distributions across domains, while generally neglecting structural differences. In this work, we propose a novel Structure Alignment framework for text-free Multi-domain Graph Pre-Training and cross-domain adaptation (SAMGPT). It is designed to learn multi-domain knowledge from graphs originating in multiple source domains, which can then be adapted to address applications in an unseen target domain. Specifically, we introduce a set of structure tokens to harmonize structure-based aggregation across source domains during the pre-training phase. Next, for cross-domain adaptation, we design dual prompts, namely, holistic prompts and specific prompts, which adapt unified multi-domain structural knowledge and fine-grained, domain-specific information, respectively, to a target domain. Finally, we conduct comprehensive experiments on seven public datasets to evaluate and analyze the effectiveness of SAMGPT.

  • 5 authors
·
Feb 7, 2025

A Comprehensive Survey of Deep Research: Systems, Methodologies, and Applications

This survey examines the rapidly evolving field of Deep Research systems -- AI-powered applications that automate complex research workflows through the integration of large language models, advanced information retrieval, and autonomous reasoning capabilities. We analyze more than 80 commercial and non-commercial implementations that have emerged since 2023, including OpenAI/Deep Research, Gemini/Deep Research, Perplexity/Deep Research, and numerous open-source alternatives. Through comprehensive examination, we propose a novel hierarchical taxonomy that categorizes systems according to four fundamental technical dimensions: foundation models and reasoning engines, tool utilization and environmental interaction, task planning and execution control, and knowledge synthesis and output generation. We explore the architectural patterns, implementation approaches, and domain-specific adaptations that characterize these systems across academic, scientific, business, and educational applications. Our analysis reveals both the significant capabilities of current implementations and the technical and ethical challenges they present regarding information accuracy, privacy, intellectual property, and accessibility. The survey concludes by identifying promising research directions in advanced reasoning architectures, multimodal integration, domain specialization, human-AI collaboration, and ecosystem standardization that will likely shape the future evolution of this transformative technology. By providing a comprehensive framework for understanding Deep Research systems, this survey contributes to both the theoretical understanding of AI-augmented knowledge work and the practical development of more capable, responsible, and accessible research technologies. The paper resources can be viewed at https://github.com/scienceaix/deepresearch.

  • 2 authors
·
Jun 14, 2025

INDUS: Effective and Efficient Language Models for Scientific Applications

Large language models (LLMs) trained on general domain corpora showed remarkable results on natural language processing (NLP) tasks. However, previous research demonstrated LLMs trained using domain-focused corpora perform better on specialized tasks. Inspired by this pivotal insight, we developed INDUS, a comprehensive suite of LLMs tailored for the Earth science, biology, physics, heliophysics, planetary sciences and astrophysics domains and trained using curated scientific corpora drawn from diverse data sources. The suite of models include: (1) an encoder model trained using domain-specific vocabulary and corpora to address natural language understanding tasks, (2) a contrastive-learning-based general text embedding model trained using a diverse set of datasets drawn from multiple sources to address information retrieval tasks and (3) smaller versions of these models created using knowledge distillation techniques to address applications which have latency or resource constraints. We also created three new scientific benchmark datasets namely, CLIMATE-CHANGE-NER (entity-recognition), NASA-QA (extractive QA) and NASA-IR (IR) to accelerate research in these multi-disciplinary fields. Finally, we show that our models outperform both general-purpose encoders (RoBERTa) and existing domain-specific encoders (SciBERT) on these new tasks as well as existing benchmark tasks in the domains of interest.

  • 34 authors
·
May 17, 2024 1

A Survey of Scientific Large Language Models: From Data Foundations to Agent Frontiers

Scientific Large Language Models (Sci-LLMs) are transforming how knowledge is represented, integrated, and applied in scientific research, yet their progress is shaped by the complex nature of scientific data. This survey presents a comprehensive, data-centric synthesis that reframes the development of Sci-LLMs as a co-evolution between models and their underlying data substrate. We formulate a unified taxonomy of scientific data and a hierarchical model of scientific knowledge, emphasizing the multimodal, cross-scale, and domain-specific challenges that differentiate scientific corpora from general natural language processing datasets. We systematically review recent Sci-LLMs, from general-purpose foundations to specialized models across diverse scientific disciplines, alongside an extensive analysis of over 270 pre-/post-training datasets, showing why Sci-LLMs pose distinct demands -- heterogeneous, multi-scale, uncertainty-laden corpora that require representations preserving domain invariance and enabling cross-modal reasoning. On evaluation, we examine over 190 benchmark datasets and trace a shift from static exams toward process- and discovery-oriented assessments with advanced evaluation protocols. These data-centric analyses highlight persistent issues in scientific data development and discuss emerging solutions involving semi-automated annotation pipelines and expert validation. Finally, we outline a paradigm shift toward closed-loop systems where autonomous agents based on Sci-LLMs actively experiment, validate, and contribute to a living, evolving knowledge base. Collectively, this work provides a roadmap for building trustworthy, continually evolving artificial intelligence (AI) systems that function as a true partner in accelerating scientific discovery.

  • 103 authors
·
Aug 28, 2025 4

Linguistic and Structural Basis of Engineering Design Knowledge

Artefact descriptions are the primary carriers of engineering design knowledge that is both an outcome and a driver of the design process. While an artefact could be described in different connotations, the design process requires a description to embody engineering design knowledge, which is expressed in the text through intricate placement of entities and relationships. As large-language models learn from all kinds of text merely as a sequence of characters/tokens, these are yet to generate text that embodies explicit engineering design facts. Existing ontological design theories are less likely to guide the large-language models whose applications are currently limited to ideation and learning purposes. In this article, we explicate engineering design knowledge as knowledge graphs from a large sample of 33,881 patent documents. We examine the constituents of these knowledge graphs to understand the linguistic and structural basis of engineering design knowledge. In terms of linguistic basis, we observe that entities and relationships could be generalised to 64 and 24 linguistic syntaxes. While relationships mainly capture attributes ('of'), structure ('in', 'with'), purpose ('to', 'for'), hierarchy ('include'), exemplification ('such as'), and behaviour ('to', 'from'), the hierarchical relationships could specifically be identified using 75 unique syntaxes. To understand the structural basis, we draw inspiration from various studies on biological/ecological networks and discover motifs from patent knowledge graphs. We identify four 3-node and four 4-node patterns that could further be converged and simplified into sequence [->...->], aggregation [->...<-], and hierarchy [<-...->]. Expected to guide large-language model based design tools, we propose few regulatory precepts for concretising abstract entities and relationships within subgraphs, while explicating hierarchical structures.

  • 2 authors
·
Dec 11, 2023

GENEVA: Benchmarking Generalizability for Event Argument Extraction with Hundreds of Event Types and Argument Roles

Recent works in Event Argument Extraction (EAE) have focused on improving model generalizability to cater to new events and domains. However, standard benchmarking datasets like ACE and ERE cover less than 40 event types and 25 entity-centric argument roles. Limited diversity and coverage hinder these datasets from adequately evaluating the generalizability of EAE models. In this paper, we first contribute by creating a large and diverse EAE ontology. This ontology is created by transforming FrameNet, a comprehensive semantic role labeling (SRL) dataset for EAE, by exploiting the similarity between these two tasks. Then, exhaustive human expert annotations are collected to build the ontology, concluding with 115 events and 220 argument roles, with a significant portion of roles not being entities. We utilize this ontology to further introduce GENEVA, a diverse generalizability benchmarking dataset comprising four test suites, aimed at evaluating models' ability to handle limited data and unseen event type generalization. We benchmark six EAE models from various families. The results show that owing to non-entity argument roles, even the best-performing model can only achieve 39% F1 score, indicating how GENEVA provides new challenges for generalization in EAE. Overall, our large and diverse EAE ontology can aid in creating more comprehensive future resources, while GENEVA is a challenging benchmarking dataset encouraging further research for improving generalizability in EAE. The code and data can be found at https://github.com/PlusLabNLP/GENEVA.

  • 5 authors
·
May 25, 2022