Knowledge_Graph
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From Legacy Documentation to OSCAL: An MCP-Based Agent Pipeline for Threat-Informed Continuous Compliance in Critical Infrastructure
2026-07-09 09:32:03Lea Roxanne Muth, Marian MargrafAbstract
In critical infrastructure, operational technology environments often cannot be actively scanned, and yet active system feedback is needed for risk assessment and compliance. This paper presents a non-invasive, MCP-grounded multi-agent pipeline that converts natural-language system descriptions into source-verified knowledge graph and audit-ready artifacts in the NIST OSCAL format for continuous automated compliance management. The architecture decouples LLM-based reasoning from deterministic knowledge retrieval against authoritative threat-intelligence sources, reducing the risk of fabricated vulnerabilities and hallucinated attack paths. In an evidence-based synthetic scenario of a water utility, the pipeline achieves 0.90 CVE recall and perfect D3FEND recall. It generates a schema-valid OSCAL System Security Plan and an OSCAL Security Assessment Report. Nevertheless, the core insight is not that grounding via MCP eliminates errors (e.g., hallucinations) entirely from the pipeline, but that it shifts errors into the first phase of asset extraction from the natural language description. Here, a single incorrectly extracted entity can lead to genuine but irrelevant CVEs in subsequent stages of the pipeline, which consumes time and resources. However, it makes the remaining risk visible, verifiable, and suitable for a time-efficient manual review, since the infrastructure (e.g., version numbers, OS, etc.) is typically known.
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https://arxiv.org/abs/2607.08288
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InductWave: Inductive Multi-Hop Logical Query Answering on Knowledge Graphs
2026-07-08 13:49:44Mayank Kharbanda, Michael Cochez, Rajiv Ratn Shah, Raghava MutharajuAbstract
Logical Multi-Hop Query Answering over Knowledge Graphs (KGs) can be formulated as querying, with an implicit completeness assumption. Current works mainly focus on Existential First Order Logic (EFO) queries. These EFO queries contain conjunction, disjunction, and negation operators. Most existing works employ transductive reasoning, meaning they are not capable of reasoning over entities unseen during training. In the real world, there is a resource scarcity, and we cannot train a model with all the nodes of a large KG. Hence, we propose InductWave, a wavelet-based inductive embedding method for logical query answering on large KGs. Here, the training graph consists of fewer nodes than the test graph. Our model performs on par with the baseline models while having half the number of message-passing layers. It outperforms all of them in most cases, with 75% of the layers. These fewer resource requirements enable us to evaluate InductWave on massive graphs, such as Wiki-KG. We test our model using extensive experiments across varying train-test graph proportions of the FB15k-(237) dataset, comparing it with the state-of-the-art models. The code and datasets for the model are available at this https URL.
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https://arxiv.org/abs/2607.07422
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RSF-GLLM: Bridging the Semantic Gap in Multi-Hop Knowledge Graph QA via Recurrent Soft-Flow and Decoupled LLM Generation
2026-07-07 17:32:36Sambaran Bandyopadhyay, Ananth MuppidiAbstract
Multi-hop Question Answering over Knowledge Graphs faces a critical challenge: traditional retrieve-then-read pipelines break differentiability, preventing the retriever from learning to bridge the semantic gap where intermediate nodes lack lexical overlap with the query. To address this, we propose RSF-GLLM, a framework decoupling differentiable graph reasoning from answer generation. Our Recurrent Soft-Flow (RSF) module employs a GRU-guided query updater to propagate continuous relevance scores, utilizing a dynamic gating mechanism to traverse semantically dissimilar bridge nodes via structural cues. We introduce flow sparsity regularization to theoretically guarantee convergence from soft probabilities to discrete reasoning paths. These paths are extracted and textualized to fine-tune a Large Language Model (LLM), ensuring generation is grounded in factual topology. Experiments on WebQSP and CWQ demonstrate that RSF-GLLM achieves competitive performance with superior inference efficiency compared to LLM based computationally expensive approaches.
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URL
https://arxiv.org/abs/2607.06527
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TopoBrick: Agentic Topology Sampling of Exogenous Variables for Zero-Shot Building IoT Forecasting
2026-07-07 14:47:46Xiachong Lin, Du Yin, Arian Prabowo, Hao Xue, Wen Hu, Imran Razzak, Matthew Amos, Sam Behrens, Flora D. SalimAbstract
Building sensors are embedded in physical topology, spatial hierarchy, and operational context, yet existing forecasters often treat them as isolated time series or rely on fixed covariate sets. We present TopoBrick, a training-free framework for zero-shot building IoT (Internet-of-Things) forecasting. TopoBrick uses building knowledge graphs to construct a compact structural skeleton and employs an agentic topology sampler to select target-specific exogenous variables. The selected variables are organized by deployment-time availability, separating past-known sensor states from future-known calendar, schedule, and meteorological exogenous variables. Across three real-world buildings, TopoBrick outperforms strong zero-shot foundation-model baselines and remains competitive with fully trained building-specific models. Ablations show that topology-aware sampling is more reliable than random, ontology-only, or fixed-hop selection, especially for physically coupled HVAC and weather-driven sensing variables.
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https://arxiv.org/abs/2607.06349
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Integrating knowledge graphs and multilingual scholarly corpora for domain-adaptive LLMs in SSH
2026-07-07 07:56:56Adam Faci, Alessio Miaschi, Anne Combe, Pascal Cuxac, Francesca Frontini, Nicolas Larrousse, St\'ephane PouyllauAbstract
The integration of Large Language Models (LLMs) into scientific research workflows, particularly for bibliographic discovery and literature synthesis, raises significant methodological, epistemic and regulatory challenges for the Social Sciences and Humanities (SSH), especially with regard to disciplinary diversity, multilingual access to sources and the evaluation of results. This paper presents an on-going use case developed within the European project LLMs4EU and the ALT-EDIC infrastructure, aimed at adapting foundation models to SSH research practices and supporting tasks such as question answering, comparative document analysis and literature review. The evaluation framework follows the LLMs4EU protocol and encompasses both independent quantitative benchmarking (retrieval, summarisation, traceability and hallucination detection) and a qualitative assessment involving a panel of Digital Humanities experts. By embedding model adaptation within research infrastructures and a structured legal and ethical compliance framework, the use case explores how domain-sensitive and regulation-aware generative AI can support SSH scholarship while preserving reliability and epistemic responsibility.
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https://arxiv.org/abs/2607.05956
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SearchEyes: Towards Frontier Multimodal Deep Search Intelligence via Search World Simulation
2026-07-07 07:43:04Zhengbo Jiao, Yiming Cheng, Yilei Jiang, Kaituo Feng, Rui Huang, Tianyi Jiang, Juanxi Tian, Jiapeng li, Qunzhong Wang, Tailai Chen, Qianshan Wei, Chuan Xiao, Shanyu Rong, Yangfu Li, Yanhan Zhou, Yunpu Ma, Yifan Zhang, Xiangyu YueAbstract
Training multimodal search agents to perform multi-hop reasoning remains challenging due to a fundamental structural disconnect: existing pipelines construct training data, search environments, and reward signals independently, causing synthesized structural metadata to be discarded, environments to rely on irreproducible external engines, and RL rewards to remain sparse at the trajectory level. We present \textbf{SearchEyes}, which uses a typed knowledge graph as the backbone of a \emph{simulated search world} that unifies all three components. We propose \textbf{Perception-Knowledge Chains (PKC)} to sample constrained multi-hop paths over the visual-knowledge intersection of Wikidata5M, retaining hop-level entity metadata that simultaneously defines a self-contained search world and step-level reward anchors. We further propose \textbf{Hop-Anchored Policy Optimization (HaPO)}, which reuses these anchors for step-level credit assignment without a separately trained process reward model. Experiments on six multimodal knowledge-intensive benchmarks show that SearchEyes achieves state-of-the-art performance among open-source multimodal search agents, with SearchEyes-27B improving over the strongest open-source baseline by 6.2 points on average.%
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URL
https://arxiv.org/abs/2607.05943
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TACTIC-KG: Toward Small Agent Teams for Cyber Threat Intelligence Knowledge Graph Construction
2026-07-06 12:41:11Mouhamed Amine Bouchiha, Gregory BlancAbstract
Cyber Threat Intelligence (CTI) reports are predominantly unstructured, heterogeneous, and noisy, which limits their direct usability for automated analysis and reasoning. Cybersecurity Knowledge Graphs (CSKGs) provide a structured representation of adversarial entities, actions, and relations, but constructing such graphs from free-text CTI remains a challenge. Recent approaches rely on monolithic Large Language Models (LLMs) to perform end-to-end extraction and completion, leading to high cost, limited controllability, and unstable performance. This paper introduces TACTIC-KG, an agentic framework for CSKG construction that decomposes the task into modular, specialized LLM agents responsible for extraction, typing, verification, and curation. Using lightweight models (3B--8B), TACTIC-KG improves stability, recall, and graph consistency while reducing deployment cost. We implement and evaluate TACTIC-KG against recent state-of-the-art systems. Experiments on human-annotated CTI reports show that agent specialization consistently outperforms larger monolithic in-context-learning (ICL) baselines in extraction F1-score, typing accuracy, and structural graph similarity.
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URL
https://arxiv.org/abs/2607.05001
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GlaKG: A Biomarker-Centric Fundus Knowledge Graph for Explainable Glaucoma Diagnosis and Risk Assessment
2026-07-06 04:56:39Cheng Huang, Jia Zhang, Yi Jiang, Yang Liu, Karanjit Kooner, Yadi Liu, Tsengdar Lee, Yang Xie, Wenqi Shi, Guanghua XiaoAbstract
Glaucoma is a leading cause of irreversible blindness worldwide, yet most automated diagnosis systems rely on opaque deep-learning models that offer little clinical interpretability. We present GlaKG, a biomarker-centric fundus knowledge graph that integrates structural biomarkers, clinically grounded rules, and image features to produce traceable reasoning for glaucoma diagnosis and risk stratification. GlaKG encodes six entity types (Fundus Image, Optic Disc, Neural Rim, Pathology, Diagnosis, Risk Level), eight relation types, and 11 clinically validated rules into a unified graph, so that every prediction is accompanied by an explicit reasoning chain linking biomarker evidence to activated clinical rules. To keep knowledge-based reasoning strictly separate from label information, we adopt a post-processing fusion framework that combines ResNet50 image embeddings with a normalized KG reasoning-chain score via a tunable weight alpha, with all fitting confined to the training split. On a publicly available, AI-annotated fundus dataset, GlaKG reaches F1 = 0.9953 for binary glaucoma classification and 0.930 accuracy with 0.922 weighted F1 for four-class risk stratification; we report openly that the dataset's biomarker annotations are highly label-correlated, and therefore frame these figures as an upper bound attainable with clean structured biomarkers rather than as leakage-free image-only performance. Feature-importance analysis shows KG-derived and biomarker features contributing near-equally (51.1% vs. 48.9%), and the reasoning chain flags borderline cases by exposing low chain scores rather than failing silently. GlaKG's central contribution is therefore a clinically auditable reasoning framework that complements raw predictive performance by explicitly exposing the biomarker evidence and rule activations behind each decision.
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https://arxiv.org/abs/2607.04673
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Predicting Therapeutic Outcome via Aligning Patient-Specific Knowledge Graph and Gene-Level Perturbation Representations
2026-07-06 00:10:31Dongmin Bang, Sugyun An, Inyoung Sung, Ilho Yun, Sun Kim, Sangseon LeeAbstract
Accurate prediction of patient-specific therapeutic response from pre-treatment transcriptomes is hindered by the scarcity of matched clinical response labels and post-treatment molecular profiles. Preclinical transfer-learning models can simulate drug-induced expression changes but are often hard to interpret and unstable, whereas knowledge-graph methods provide mechanistic context yet remain static and fail to capture drug-induced transcriptomic perturbation dynamics. We propose PREDIKTOR, a patient-centered multi-view framework that aligns a personalized network view with a transferable transcriptomic perturbation view to predict clinical drug response. For each patient, we construct an individualized gene regulatory network from tumor expression using DysRegNet and augment it with drug-target links from DrugBank; a graph neural encoder yields a drug-centric, mechanistically grounded embedding. In parallel, a frozen condition-specific gene-gene attention model pretrained on LINCS L1000 generates a simulated post-perturbation transcriptomic profile for the same patient-drug pair. We align the two views in a shared latent space via a CLIP-style contrastive objective with drug-context hard negatives, then concatenate the representations for end-to-end response classification. On TCGA, PREDIKTOR consistently outperforms state-of-the-art baselines under patient-, drug-, and tissue-split evaluations, and transfers zero-shot to the I-SPY2 trial, improving AUROC by 5.6% over competing methods. The aligned embeddings yield stable gene and pathway attributions that recover known mechanisms, supporting actionable and interpretable precision oncology.
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URL
https://arxiv.org/abs/2607.04557
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TRIAGE: Trustworthy Retrieval Instrumentation And Graph Evaluation
2026-07-03 16:01:20Axel TahmasebiMoradi, Lucas Schott, Martin RoyerAbstract
Knowledge graphs (KGs) that underpin Graph-based Retrieval-Augmented Generation (Graph-RAG) are increasingly built automatically by LLM-driven extraction rather than curated by experts. Proper evaluation would require instrumenting all pertinent stages: extraction, graph construction, and inference, coherently enough to localize failures, so that a failure at one stage is not discovered as a wrong answer at the end. We introduce TRIAGE, a stage-aware instrumentation framework for automated, document-grounded graph-RAG that asks not only whether the underlying graph can be trusted but at what cost it can be queried. TRIAGE attaches stage-specific, independently interpretable metrics to three stages: the KG Implementation (triple confidence, source coverage, and schema and canonicalization checks), the KG Validation by expert (graph-level structural quality, with correctness and completeness computed only as offline calibration when a reference is available), and the KG Usage (retrieval coverage, faithfulness, and retrieval cost); the deployed metrics need no gold annotations, the gold-requiring ones serving only as offline calibration. At usage time these metrics form a diagnostic chain of necessary conditions whose first broken link localizes the failure, and the diagnosis maps to the stage levers that can remedy it: extraction, graph and schema, or retrieval. TRIAGE is a theoretical framework with a proof of concept and a reproducible evaluation protocol.
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https://arxiv.org/abs/2607.03447
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Agentic and Generative AI for Open-Source Intelligence and Cyber Investigations: Taxonomy, Evaluation, Challenges, and Future Directions
2026-07-03 11:42:29Eduardo Almeida Palmieri, Mohamed Chahine Ghanem, Dipo Dunsin, Zubair Baig, Ed de Quincey, Kim-Kwang Raymond ChooAbstract
The rapid growth of publicly available digital information has rendered manual open-source intelligence (OSINT) analysis insufficient for modern intelligence, cybersecurity, and cyber investigation. Large language models (LLMs) and agentic AI systems, capable of tool use, multi-step reasoning, and iterative intelligence generation, have emerged as promising solutions, yet evaluation frameworks have not kept pace with reported capabilities. This survey systematically reviews 74 studies and makes four contributions. First, it establishes agentic AI as a distinct analytical category rather than an extension of LLM prompting, organising the literature through an 11-category taxonomy covering LLM foundations, agentic architectures, retrieval-augmented generation (RAG), knowledge graphs, prompt engineering, domain adaptation, evaluation benchmarks, and risk. Second, it identifies the hallucination-validation gap as a corpus-level finding: although hallucination is recognised as a major reliability concern in over twenty studies, end-to-end hallucination is empirically measured in only one OSINT-specific RAG-based system, non-reproducible conditions, while related reasoning and factual-correction studies evaluate general-domain question answering rather than OSINT. Third, it maps existing research to the OSINT lifecycle, showing strong support for collection and analysis but limited coverage of verification, reporting, dissemination, and decision support. Fourth, it derives a ten-point research agenda addressing evaluation, benchmarking, hallucination measurement, adversarial robustness, dark-web coverage, multimodal intelligence, and governance. It concludes that a human-AI co-pilot model, where LLMs assist collection and triage while analysts retain responsibility for verification and decision-making, represents the most defensible near-term deployment architecture.
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https://arxiv.org/abs/2607.03233
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KARMA: Knowledge graph-based Automated Reasoning Materialization and Alignment
2026-07-03 10:06:40Jinkyeong Choi, Chaebin Jeong, Donghyeon ParkAbstract
Template-based contrastive synthesis is scalable, but its candidates often differ only in a few entity-slots while sequence-level optimization spreads supervision over mostly shared templates. We formalize this as the Resolution Mismatch Problem and propose KARMA, which enumerates schema-constrained paths over domain knowledge graphs and verbalizes them into slot-aligned contrastive candidates. Slot-Parallel Alignment (SPA) then applies a decoupled slot-level objective to route preference supervision to discriminative entity-slots, with slot-aware masked attention serving as an optional packed-evaluation implementation. Across biomedical, computer-science, and chemistry benchmarks, KARMA outperforms base LLM and same-data SFT baselines, and compares favorably with sequence and token-level preference methods.
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https://arxiv.org/abs/2607.03166
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Conditional Diffusion Guided Knowledge Transfer for Multi-Domain Knowledge Graph Completion
2026-07-03 09:51:49Jiawei Sheng, Taoyu Su, Xixun Lin, Xiaodong Li, Tingwen LiuAbstract
Multi-domain knowledge graph completion (MKGC) aims to improve missing triple prediction in a target KG by transferring knowledge from other support KGs. Existing methods typically enforce consistency constraints on equivalent entities across KGs to transfer knowledge, which risks suppressing domain-specific contextual information of entities. This design can also compromise entity representation information from all KG domains, impeding performance improvements, especially in low-resource data scenarios. To address this, we pioneer a generation-based paradigm for MKGC and propose DMKGC, a conditional diffusion-guided knowledge transfer framework. Our key insight is to treat each KG as a partial view of the entity entire information, and generate informative domain-general entity embeddings through diffusion models conditioned on support KGs. Particularly, we first initialize domain-agnostic entity embeddings as prior entity embeddings, and then encode them within individual KGs. Afterward, we fuse equivalent entities from support KGs as the conditional diffusion generation guidance. We leverage the prior entity embeddings as the proxy generation objective, which ensures this conditional generation to be unbiased towards any conditioned KGs. Simultaneously, we also train the generated embeddings to be predictive across KGs, thus preserving domain-specific information. Extensive experiments on 14 KGs in 3 benchmarks demonstrate a 4.3\% average MRR improvement in tail entity prediction over state-of-the-art methods, with sustained gains in low-resource data settings.
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https://arxiv.org/abs/2607.03154
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A Precedent-Guided Co-Scientist for Side-Effect-Aware Drug Redesign
2026-07-03 04:37:08Yujin Kim, Charmgil HongAbstract
We propose PRECEDE, a precedent-guided co-scientist for side-effect-aware drug redesign that revises a parent compound to mitigate a specified side effect while preserving therapeutic function. Rather than isolated molecular generation, PRECEDE frames redesign as evidence-grounded reasoning over drug--side-effect associations, biomedical knowledge graphs, and precedents of safety-driven optimization, coordinated by an LLM orchestrator with explicit policies and human-review checkpoints. We position PRECEDE as a human-supervised AI-for-science workflow in which hypotheses remain auditable, falsifiable, and bounded by prior pharmacology.
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https://arxiv.org/abs/2607.02944
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Memora: A Harmonic Memory Representation Balancing Abstraction and Specificity
2026-07-02 10:11:44Menglin Xia, Xuchao Zhang, Shantanu Dixit, Paramaguru Harimurugan, Rujia Wang, Victor Ruhle, Robert Sim, Chetan Bansal, Saravan RajmohanAbstract
Agent memory systems must accommodate continuously growing information while supporting efficient, context-aware retrieval for downstream tasks. Abstraction is essential for scaling agent memory, yet it often comes at the cost of specificity, obscuring the fine-grained details required for effective reasoning. We introduce Memora, a harmonic memory representation that structurally balances abstraction and specificity. Memora organizes information via its primary abstractions that index concrete memory values and consolidate related updates into unified memory entries, while cue anchors expand retrieval access across diverse aspects of the memory and connect related memories. Building on this structure, we employ a retrieval policy that actively exploits these memory connections to retrieve relevant information beyond direct semantic similarity. Theoretically, we show that standard Retrieval-Augmented Generation (RAG) and Knowledge Graph (KG)-based memory systems emerge as special cases of our framework. Empirically, Memora establishes a new state-of-the-art on the LoCoMo and LongMemEval benchmarks, demonstrating better retrieval relevance and reasoning effectiveness as memory scales.
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https://arxiv.org/abs/2602.03315
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MKGR: Multimodal Knowledge-Graph Representation Learning for Cold-Start Protein-Protein Interaction Prediction
2026-07-02 02:50:42Wenbo ZhangAbstract
Accurate protein-protein interaction (PPI) prediction is central to functional genomics, disease mechanism discovery, and drug development. A difficult setting arises when candidate interactions include proteins that have no observed PPI edges during training, where models relying on network topology alone often lose useful context. This paper presents \method, a multimodal representation framework for cold-start PPI prediction. \method\ combines region-aware protein sequence encoding with four protein-centered biomedical knowledge graphs, including protein-drug, protein-disease, protein-miRNA, and protein-lncRNA associations. The sequence branch extracts contextual representations from structurally informed sequence regions, while graph attention encoders learn modality-specific protein embeddings from sparse biomedical associations. A bridge reconstruction objective regularizes graph learning by recovering shared protein-entity associations, and a pair-level gating module adaptively integrates sequence and graph evidence for each candidate protein pair. Experiments on two benchmark datasets under novel-old and novel-novel cold-start settings show that \method\ consistently outperforms competitive sequence, network, and knowledge-graph baselines across ACC, F1, AUC, AUPR, and MCC.
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https://arxiv.org/abs/2607.01627
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EO-Agents: A Three-Agent LLM Pipeline for Earth Observation Hypothesis Generation
2026-07-02 01:31:18Mahyar Ghazanfari, Amin Tabrizian, Armin Mehrabian, Peng WeiAbstract
Large language models have recently been explored for scientific hypothesis generation, but most prior work relies on unstructured literature and free-form textual claims. We present a pipeline for Earth observation that grounds hypothesis generation directly in the NASA Earth Observation Knowledge Graph. A heterogeneous graph neural network trained on historical co-usage relations ranks candidate dataset pairings, and a three-agent LLM pipeline filters, generates, and evaluates structured research hypotheses. Applied to 1,475 NASA datasets, the system produces 160 hypotheses spanning multiple Earth-science domains, including ecohydrology, glaciology, aerosol--cloud interactions, vegetation phenology, and stratospheric chemistry. Model-predicted novel dataset pairings are rated nearly as plausible as held-out real co-usages from the literature, indicating that the pipeline surfaces scientifically coherent yet unexplored combinations. A 2*2*2 factorial experiment across GPT-5.2 and Claude Sonnet 4.6 shows that hypothesis rankings remain stable, while absolute scores depend strongly on judge identity, highlighting limitations of single-judge LLM evaluation.
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https://arxiv.org/abs/2607.01584
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Evidence-Supported Credit Risk Report Generation Using News-Centric Financial Knowledge Graphs
2026-07-01 14:56:27Rocio Jimenez-Villen, Ziwei Xu, Ying Chen, Oscar Araque, Ryutaro IchiseAbstract
Financial markets evolve in response to real-world events reported in news, yet these drivers often remain implicit in text. To better explain market dynamics, event-market relations must be explicitly modeled through factual, company-centric, and environment-aware knowledge graphs. We present FinKG-News, a framework that automatically constructs such graphs by extracting news events as anchors linked to companies. Using FinKG-News as grounded evidence that integrates events, news, and company data, we develop an in-context learning architecture for credit risk report generation across three core financial dimensions. Automatic and human evaluations show that automated hallucination detection and quality assessment remain unreliable, making expert judgment indispensable. Our approach consistently outperforms baselines, improving quality by 19%-34% while reducing hallucinations. The source code and project resources are publicly available at: this https URL.
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https://arxiv.org/abs/2607.01023
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MolSafeEval: A Benchmark for Uncovering Safety Risks in AI-Generated Molecules
2026-07-01 05:33:51Tong Xu, Xinzhe Cao, Zhihui Zhu, Keyan Ding, Huajun ChenAbstract
Current molecular generation benchmarks emphasize task complexity, molecule novelty, and property alignment; they largely overlook a critical concern: the potential safety risks of AI-generated molecules. In practice, many generative models may produce molecules with toxic, reactive, or otherwise hazardous characteristics - posing hidden dangers that remain insufficiently addressed. To address this gap, we introduce MolSafeEval, a benchmark dedicated to evaluating and analyzing the safety risks of molecular generation. Unlike prior approaches that rely on narrow toxicity predictors, MolSafeEval integrates heterogeneous safety knowledge - ranging from toxicological databases to hazard rules - into a structured molecular safety knowledge graph. This graph serves as a foundation for large language model-based reasoning, enabling systematic detection and explanation of unsafe features in generated compounds. We further categorize molecular generative models into four representative task types - unconditional generation, property optimization, target protein-based design, and text-based generation - and provide standardized datasets and safety evaluation protocols for each. By systematically revealing the safety vulnerabilities of current generative approaches, MolSafeEval offers a new lens for benchmarking molecular models and provides essential guidance toward safer, more trustworthy molecular design.
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https://arxiv.org/abs/2607.00464
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Automating Cause-Effect Specification with Knowledge Graphs and Large Language Models
2026-06-30 13:03:46Javal Vyas, Milapji Singh Gill, Mehmet Mercang\"ozAbstract
Engineering specifications such as interlocks, alarm rationalization tables, and cause-and-effect (C&E) matrices remain central to process control and safety, yet their creation is still predominantly manual, document-driven, and prone to inconsistency. This paper presents a semantic-AI framework that automates the generation of C&E logic by combining a knowledge graph (KG) with a constrained large language model (LLM) layer. The KG builds on an established modular alignment ontology to represent process structure, operating modes, faults, symptoms, causes, and mitigation actions in a machine-interpretable form. The LLM then transforms this information into operator-ready safety narratives and Semantic Web Rule Language (SWRL) rules under strict ontology and vocabulary constraints, grounding the generated artifacts in the underlying semantic model. The workflow is demonstrated on a modular process plant, showing how engineering semantics, diagnostic relations, and machine-verifiable specifications can be generated from a unified knowledge representation with reduced manual effort.
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https://arxiv.org/abs/2606.31614
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