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Jul 29

DisasterLex: An Expert Concept-to-Schema Knowledge Graph for Geospatial Reasoning in Disaster Analytics

Disasters are inevitable and increasingly costly, and effective response depends on querying structured tabular data: precise, information-dense records of hazard, exposure, vulnerability, and lifeline infrastructure that underpin disaster management. Current text-to-SQL methods enable natural-language access to such tables but transfer poorly to the disaster domain, where queries span heterogeneous geospatial schemas and require reasoning over causal relations. We introduce DisasterLex, a knowledge-graph-mediated framework that inserts an Expert Knowledge Graph (EKG) of curated concepts and typed causal edges between the user query and the database, bridged to schema by concept-to-table links. The orchestration runs four stages (identifying query entities, routing to the operational domain, planning over causal edges, and grounding the SQL), restricting the schema passed to the model at each step. We instantiate it on a disaster-analytics database (36 geospatial tables, 150 columns) with an EKG of 107 concepts, 117 causal edges, and 52 concept-to-schema links, evaluated on a 75-query test set. On all seven base models spanning proprietary and open-weight families, DisasterLex beats four state-of-the-art baselines (LightRAG, HippoRAG 2, ReFoRCE, CHESS) by 1.4x to 2.75x, with absolute scores of 1.65 to 3.56 (of 5.0). Error analysis shows baseline failures cluster in routing and multi-table SQL composition, the operations our orchestration explicitly addresses. Code, data, and the EKG artifact are available at https://github.com/YimingXiao98/DisasterLex and on Zenodo at https://doi.org/10.5281/zenodo.20388029.

  • 6 authors
·
May 27

Beyond Blame: Rethinking SZZ with Knowledge Graph Search

Identifying Bug-Inducing Commits (BICs) is fundamental for understanding software defects and enabling downstream tasks such as defect prediction and automated program repair. Yet existing SZZ-based approaches are limited by their reliance on git blame, which restricts the search space to commits that directly modified the fixed lines. Our preliminary study on 2,102 validated bug-fixing commits reveals that this limitation is significant: over 40% of cases cannot be solved by blame alone, as 28% of BICs require traversing commit history beyond blame results and 14% are blameless. We present AgenticSZZ, the first approach to apply Temporal Knowledge Graphs (TKGs) to software evolution analysis. AgenticSZZ reframes BIC identification from a ranking problem over blame commits into a graph search problem, where temporal ordering is fundamental to causal reasoning about bug introduction. The approach operates in two phases: (1) constructing a TKG that encodes commits with temporal and structural relationships, expanding the search space by traversing file history backward from two reference points (blame commits and the BFC); and (2) leveraging an LLM agent to navigate the graph using specialized tools for candidate exploration and causal analysis. Evaluation on three datasets shows that AgenticSZZ achieves F1-scores of 0.48 to 0.74, with statistically significant improvements over state-of-the-art by up to 27%. Our ablation study confirms that both components are essential, reflecting a classic exploration-exploitation trade-off: the TKG expands the search space while the agent provides intelligent selection. By transforming BIC identification into a graph search problem, we open a new research direction for temporal and causal reasoning in software evolution analysis.

  • 4 authors
·
Feb 2

MedKGent: A Large Language Model Agent Framework for Constructing Temporally Evolving Medical Knowledge Graph

The rapid expansion of medical literature presents growing challenges for structuring and integrating domain knowledge at scale. Knowledge Graphs (KGs) offer a promising solution by enabling efficient retrieval, automated reasoning, and knowledge discovery. However, current KG construction methods often rely on supervised pipelines with limited generalizability or naively aggregate outputs from Large Language Models (LLMs), treating biomedical corpora as static and ignoring the temporal dynamics and contextual uncertainty of evolving knowledge. To address these limitations, we introduce MedKGent, a LLM agent framework for constructing temporally evolving medical KGs. Leveraging over 10 million PubMed abstracts published between 1975 and 2023, we simulate the emergence of biomedical knowledge via a fine-grained daily time series. MedKGent incrementally builds the KG in a day-by-day manner using two specialized agents powered by the Qwen2.5-32B-Instruct model. The Extractor Agent identifies knowledge triples and assigns confidence scores via sampling-based estimation, which are used to filter low-confidence extractions and inform downstream processing. The Constructor Agent incrementally integrates the retained triples into a temporally evolving graph, guided by confidence scores and timestamps to reinforce recurring knowledge and resolve conflicts. The resulting KG contains 156,275 entities and 2,971,384 relational triples. Quality assessments by two SOTA LLMs and three domain experts demonstrate an accuracy approaching 90%, with strong inter-rater agreement. To evaluate downstream utility, we conduct RAG across seven medical question answering benchmarks using five leading LLMs, consistently observing significant improvements over non-augmented baselines. Case studies further demonstrate the KG's value in literature-based drug repurposing via confidence-aware causal inference.

  • 13 authors
·
Aug 17, 2025

InstructProtein: Aligning Human and Protein Language via Knowledge Instruction

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

  • 7 authors
·
Oct 4, 2023

Correlation Is Not Enough: Embedding Human Metadata for Individual Causal Discovery

Ask a pretrained biomedical language model whether "cortisol 28 ug/dL" and "stock-market volatility" are related, and it returns a cosine similarity of 0.83 on a scale where 1.0 means identical. The two share no mechanism. This is not a corner case: every off-the-shelf biomedical encoder we tested (BioBERT, PubMedBERT, BioM-ELECTRA) scores unrelated cross-domain pairs between 0.76 and 0.92 when the answer should be near zero. Accuracy on cross-domain discrimination is 0%. Retrieval systems survive this, because a language model downstream filters the noise. A Large Behavioural Model (LBM), a foundation model whose subject is a person rather than a sentence, does not: it reasons over a graph of a user's life and treats embedding proximity as evidence that two events are causally linked. False proximity writes a false causal edge, and everything downstream inherits the error. Here, embedding geometry is not a tuning knob; it is correctness. We report the fix. A contrastive pass over 72,034 pairs raises PubMedBERT BIOSSES correlation from 0.633 to 0.828 and within-vs-across-domain separation from 1.05x to 1.63x. A second pass, BODHI, mines hard negatives from edges absent in a biomedical knowledge graph and lifts separation to 2.30x and the discrimination gap to +0.392, at a 4.5% BIOSSES cost. On an Intel Xeon 6737P with AMX, OpenVINO cuts single-query latency from 1367 ms to 10 ms (133x) and reaches 555 sentences/sec. One finding contradicts standard advice: FP16 beats INT8 on this silicon at every serving batch size, and we explain why. The same model on a no-AMX Ice Lake instance runs 13-27x slower. We release the benchmark suite, training corpora, the BODHI generator, and the OpenVINO scripts.

  • 3 authors
·
Jun 7

The SourceData-NLP dataset: integrating curation into scientific publishing for training large language models

Introduction: The scientific publishing landscape is expanding rapidly, creating challenges for researchers to stay up-to-date with the evolution of the literature. Natural Language Processing (NLP) has emerged as a potent approach to automating knowledge extraction from this vast amount of publications and preprints. Tasks such as Named-Entity Recognition (NER) and Named-Entity Linking (NEL), in conjunction with context-dependent semantic interpretation, offer promising and complementary approaches to extracting structured information and revealing key concepts. Results: We present the SourceData-NLP dataset produced through the routine curation of papers during the publication process. A unique feature of this dataset is its emphasis on the annotation of bioentities in figure legends. We annotate eight classes of biomedical entities (small molecules, gene products, subcellular components, cell lines, cell types, tissues, organisms, and diseases), their role in the experimental design, and the nature of the experimental method as an additional class. SourceData-NLP contains more than 620,000 annotated biomedical entities, curated from 18,689 figures in 3,223 papers in molecular and cell biology. We illustrate the dataset's usefulness by assessing BioLinkBERT and PubmedBERT, two transformers-based models, fine-tuned on the SourceData-NLP dataset for NER. We also introduce a novel context-dependent semantic task that infers whether an entity is the target of a controlled intervention or the object of measurement. Conclusions: SourceData-NLP's scale highlights the value of integrating curation into publishing. Models trained with SourceData-NLP will furthermore enable the development of tools able to extract causal hypotheses from the literature and assemble them into knowledge graphs.

  • 4 authors
·
Oct 31, 2023

COKE: Causal Discovery with Chronological Order and Expert Knowledge in High Proportion of Missing Manufacturing Data

Understanding causal relationships between machines is crucial for fault diagnosis and optimization in manufacturing processes. Real-world datasets frequently exhibit up to 90% missing data and high dimensionality from hundreds of sensors. These datasets also include domain-specific expert knowledge and chronological order information, reflecting the recording order across different machines, which is pivotal for discerning causal relationships within the manufacturing data. However, previous methods for handling missing data in scenarios akin to real-world conditions have not been able to effectively utilize expert knowledge. Conversely, prior methods that can incorporate expert knowledge struggle with datasets that exhibit missing values. Therefore, we propose COKE to construct causal graphs in manufacturing datasets by leveraging expert knowledge and chronological order among sensors without imputing missing data. Utilizing the characteristics of the recipe, we maximize the use of samples with missing values, derive embeddings from intersections with an initial graph that incorporates expert knowledge and chronological order, and create a sensor ordering graph. The graph-generating process has been optimized by an actor-critic architecture to obtain a final graph that has a maximum reward. Experimental evaluations in diverse settings of sensor quantities and missing proportions demonstrate that our approach compared with the benchmark methods shows an average improvement of 39.9% in the F1-score. Moreover, the F1-score improvement can reach 62.6% when considering the configuration similar to real-world datasets, and 85.0% in real-world semiconductor datasets. The source code is available at https://github.com/OuTingYun/COKE.

  • 3 authors
·
Jul 16, 2024

GUI-CIDER: Mid-training GUI Agents via Causal Internalization and Density-aware Exemplar Reselection

Despite the rapid progress of multimodal large language models in building Graphical User Interface (GUI) agents, their real-world task completion is fundamentally bottlenecked by a lack of world knowledge about GUI operations. Existing solutions typically rely on expensive multi-agent scaffolding or conventional post-training paradigms, such as Supervised Fine-Tuning (SFT) and Reinforcement Learning (RL). However, post-training only allows agents to implicitly absorb world knowledge through action annotations or reward signals, leading to inefficient trajectory memorization rather than genuine comprehension. Therefore, an approach that enables explicit learning of this knowledge is imperative. To this end, we propose GUI-CIDER, a mid-training method that explicitly internalizes GUI world knowledge through Causal Internalization and Density-aware Exemplar Reselection. GUI-CIDER operates in three stages: (1) data synthesis, which distills static planning and dynamic causal knowledge from GUI trajectories into text; (2) exemplar reselection, which filters the corpus by rewarding causal structures and penalizing semantic redundancy; and (3) mid-training, where the refined data is used to embed the acquired knowledge. Extensive experiments on two GUI knowledge benchmarks and three task completion benchmarks demonstrate that GUI-CIDER consistently improves both the agent's understanding of GUI operations and its task success rates.The codes are available at https://github.com/Wuzheng02/GUI-CIDER.

meituan-longcat LongCat
·
May 26 2

Causal Reasoning and Large Language Models: Opening a New Frontier for Causality

The causal capabilities of large language models (LLMs) are a matter of significant debate, with critical implications for the use of LLMs in societally impactful domains such as medicine, science, law, and policy. We conduct a "behavorial" study of LLMs to benchmark their capability in generating causal arguments. Across a wide range of tasks, we find that LLMs can generate text corresponding to correct causal arguments with high probability, surpassing the best-performing existing methods. Algorithms based on GPT-3.5 and 4 outperform existing algorithms on a pairwise causal discovery task (97%, 13 points gain), counterfactual reasoning task (92%, 20 points gain) and event causality (86% accuracy in determining necessary and sufficient causes in vignettes). We perform robustness checks across tasks and show that the capabilities cannot be explained by dataset memorization alone, especially since LLMs generalize to novel datasets that were created after the training cutoff date. That said, LLMs exhibit unpredictable failure modes, and we discuss the kinds of errors that may be improved and what are the fundamental limits of LLM-based answers. Overall, by operating on the text metadata, LLMs bring capabilities so far understood to be restricted to humans, such as using collected knowledge to generate causal graphs or identifying background causal context from natural language. As a result, LLMs may be used by human domain experts to save effort in setting up a causal analysis, one of the biggest impediments to the widespread adoption of causal methods. Given that LLMs ignore the actual data, our results also point to a fruitful research direction of developing algorithms that combine LLMs with existing causal techniques. Code and datasets are available at https://github.com/py-why/pywhy-llm.

  • 4 authors
·
Apr 28, 2023

ADAM: An Embodied Causal Agent in Open-World Environments

In open-world environments like Minecraft, existing agents face challenges in continuously learning structured knowledge, particularly causality. These challenges stem from the opacity inherent in black-box models and an excessive reliance on prior knowledge during training, which impair their interpretability and generalization capability. To this end, we introduce ADAM, An emboDied causal Agent in Minecraft, that can autonomously navigate the open world, perceive multimodal contexts, learn causal world knowledge, and tackle complex tasks through lifelong learning. ADAM is empowered by four key components: 1) an interaction module, enabling the agent to execute actions while documenting the interaction processes; 2) a causal model module, tasked with constructing an ever-growing causal graph from scratch, which enhances interpretability and diminishes reliance on prior knowledge; 3) a controller module, comprising a planner, an actor, and a memory pool, which uses the learned causal graph to accomplish tasks; 4) a perception module, powered by multimodal large language models, which enables ADAM to perceive like a human player. Extensive experiments show that ADAM constructs an almost perfect causal graph from scratch, enabling efficient task decomposition and execution with strong interpretability. Notably, in our modified Minecraft games where no prior knowledge is available, ADAM maintains its performance and shows remarkable robustness and generalization capability. ADAM pioneers a novel paradigm that integrates causal methods and embodied agents in a synergistic manner. Our project page is at https://opencausalab.github.io/ADAM.

OpenCausaLab OpenCausaLab
·
Oct 29, 2024

Dissecting the Failure of Invariant Learning on Graphs

Enhancing node-level Out-Of-Distribution (OOD) generalization on graphs remains a crucial area of research. In this paper, we develop a Structural Causal Model (SCM) to theoretically dissect the performance of two prominent invariant learning methods -- Invariant Risk Minimization (IRM) and Variance-Risk Extrapolation (VREx) -- in node-level OOD settings. Our analysis reveals a critical limitation: due to the lack of class-conditional invariance constraints, these methods may struggle to accurately identify the structure of the predictive invariant ego-graph and consequently rely on spurious features. To address this, we propose Cross-environment Intra-class Alignment (CIA), which explicitly eliminates spurious features by aligning cross-environment representations conditioned on the same class, bypassing the need for explicit knowledge of the causal pattern structure. To adapt CIA to node-level OOD scenarios where environment labels are hard to obtain, we further propose CIA-LRA (Localized Reweighting Alignment) that leverages the distribution of neighboring labels to selectively align node representations, effectively distinguishing and preserving invariant features while removing spurious ones, all without relying on environment labels. We theoretically prove CIA-LRA's effectiveness by deriving an OOD generalization error bound based on PAC-Bayesian analysis. Experiments on graph OOD benchmarks validate the superiority of CIA and CIA-LRA, marking a significant advancement in node-level OOD generalization. The codes are available at https://github.com/NOVAglow646/NeurIPS24-Invariant-Learning-on-Graphs.

  • 4 authors
·
Nov 5, 2024

GRAVITY: Architecture-Agnostic Structured Anchoring for Long-Horizon Conversational Memory

Long-horizon conversational agents rely on memory systems with increasingly sophisticated retrieval mechanisms. However, retrieved fragments are typically fed to the language model as unstructured text, lacking the relational, temporal, and thematic structures essential for complex reasoning. To bridge this reasoning gap, we introduce GRAVITY (Generation-time Relational Anchoring Via Injected Topological MemorY), a plug-and-play structured memory module. GRAVITY extracts three complementary knowledge representations from raw conversational utterances: entity profiles grounded in relational graphs, temporal event tuples linked into causal traces, and cross-session topic summaries. At generation time, it injects these representations into the host system's prompt as structured anchoring contexts. This approach effectively synthesizes scattered evidence into a coherent, query-relevant context without requiring any architectural modifications to the host model. Extensive evaluations across five diverse memory systems on the LongMemEval and LoCoMo benchmarks demonstrate the efficacy of our approach. On average, GRAVITY improves LLM-judge accuracy by 7.5--10.1%. Gains are inversely correlated with baseline strength: the weakest host improves by 12.2% while the strongest still gains 3.8--5.7%. These findings establish structured context anchoring as a broadly effective, architecture-agnostic augmentation paradigm for long-horizon conversational memory.

  • 5 authors
·
May 2

Causal Graph based Event Reasoning using Semantic Relation Experts

Understanding how events in a scenario causally connect with each other is important for effectively modeling and reasoning about events. But event reasoning remains a difficult challenge, and despite recent advances, Large Language Models (LLMs) still struggle to accurately identify causal connections between events. This struggle leads to poor performance on deeper reasoning tasks like event forecasting and timeline understanding. To address this challenge, we investigate the generation of causal event graphs (e.g., A enables B) as a parallel mechanism to help LLMs explicitly represent causality during inference. This paper evaluates both how to generate correct graphs as well as how graphs can assist reasoning. We propose a collaborative approach to causal graph generation where we use LLMs to simulate experts that focus on specific semantic relations. The experts engage in multiple rounds of discussions which are then consolidated by a final expert. Then, to demonstrate the utility of causal graphs, we use them on multiple downstream applications, and also introduce a new explainable event prediction task that requires a causal chain of events in the explanation. These explanations are more informative and coherent than baseline generations. Finally, our overall approach not finetuned on any downstream task, achieves competitive results with state-of-the-art models on both forecasting and next event prediction tasks.

  • 6 authors
·
Jun 6, 2025

Teaching Transformers Causal Reasoning through Axiomatic Training

For text-based AI systems to interact in the real world, causal reasoning is an essential skill. Since interventional data is costly to generate, we study to what extent an agent can learn causal reasoning from passive data. Specifically, we consider an axiomatic training setup where an agent learns from multiple demonstrations of a causal axiom (or rule), rather than incorporating the axiom as an inductive bias or inferring it from data values. A key question is whether the agent would learn to generalize from the axiom demonstrations to new scenarios. For example, if a transformer model is trained on demonstrations of the causal transitivity axiom over small graphs, would it generalize to applying the transitivity axiom over large graphs? Our results, based on a novel axiomatic training scheme, indicate that such generalization is possible. We consider the task of inferring whether a variable causes another variable, given a causal graph structure. We find that a 67 million parameter transformer model, when trained on linear causal chains (along with some noisy variations) can generalize well to new kinds of graphs, including longer causal chains, causal chains with reversed order, and graphs with branching; even when it is not explicitly trained for such settings. Our model performs at par (or even better) than many larger language models such as GPT-4, Gemini Pro, and Phi-3. Overall, our axiomatic training framework provides a new paradigm of learning causal reasoning from passive data that can be used to learn arbitrary axioms, as long as sufficient demonstrations can be generated.

  • 5 authors
·
Jul 10, 2024

Causal Agent based on Large Language Model

Large language models (LLMs) have achieved significant success across various domains. However, the inherent complexity of causal problems and causal theory poses challenges in accurately describing them in natural language, making it difficult for LLMs to comprehend and use them effectively. Causal methods are not easily conveyed through natural language, which hinders LLMs' ability to apply them accurately. Additionally, causal datasets are typically tabular, while LLMs excel in handling natural language data, creating a structural mismatch that impedes effective reasoning with tabular data. This lack of causal reasoning capability limits the development of LLMs. To address these challenges, we have equipped the LLM with causal tools within an agent framework, named the Causal Agent, enabling it to tackle causal problems. The causal agent comprises tools, memory, and reasoning modules. In the tools module, the causal agent applies causal methods to align tabular data with natural language. In the reasoning module, the causal agent employs the ReAct framework to perform reasoning through multiple iterations with the tools. In the memory module, the causal agent maintains a dictionary instance where the keys are unique names and the values are causal graphs. To verify the causal ability of the causal agent, we established a benchmark consisting of four levels of causal problems: variable level, edge level, causal graph level, and causal effect level. We generated a test dataset of 1.3K using ChatGPT-3.5 for these four levels of issues and tested the causal agent on the datasets. Our methodology demonstrates remarkable efficacy on the four-level causal problems, with accuracy rates all above 80%. For further insights and implementation details, our code is accessible via the GitHub repository https://github.com/Kairong-Han/Causal_Agent.

  • 5 authors
·
Aug 13, 2024

Leveraging Pre-trained Language Models for Time Interval Prediction in Text-Enhanced Temporal Knowledge Graphs

Most knowledge graph completion (KGC) methods learn latent representations of entities and relations of a given graph by mapping them into a vector space. Although the majority of these methods focus on static knowledge graphs, a large number of publicly available KGs contain temporal information stating the time instant/period over which a certain fact has been true. Such graphs are often known as temporal knowledge graphs. Furthermore, knowledge graphs may also contain textual descriptions of entities and relations. Both temporal information and textual descriptions are not taken into account during representation learning by static KGC methods, and only structural information of the graph is leveraged. Recently, some studies have used temporal information to improve link prediction, yet they do not exploit textual descriptions and do not support inductive inference (prediction on entities that have not been seen in training). We propose a novel framework called TEMT that exploits the power of pre-trained language models (PLMs) for text-enhanced temporal knowledge graph completion. The knowledge stored in the parameters of a PLM allows TEMT to produce rich semantic representations of facts and to generalize on previously unseen entities. TEMT leverages textual and temporal information available in a KG, treats them separately, and fuses them to get plausibility scores of facts. Unlike previous approaches, TEMT effectively captures dependencies across different time points and enables predictions on unseen entities. To assess the performance of TEMT, we carried out several experiments including time interval prediction, both in transductive and inductive settings, and triple classification. The experimental results show that TEMT is competitive with the state-of-the-art.

utrechtuniversity Utrecht University
·
Sep 28, 2023

iReason: Multimodal Commonsense Reasoning using Videos and Natural Language with Interpretability

Causality knowledge is vital to building robust AI systems. Deep learning models often perform poorly on tasks that require causal reasoning, which is often derived using some form of commonsense knowledge not immediately available in the input but implicitly inferred by humans. Prior work has unraveled spurious observational biases that models fall prey to in the absence of causality. While language representation models preserve contextual knowledge within learned embeddings, they do not factor in causal relationships during training. By blending causal relationships with the input features to an existing model that performs visual cognition tasks (such as scene understanding, video captioning, video question-answering, etc.), better performance can be achieved owing to the insight causal relationships bring about. Recently, several models have been proposed that have tackled the task of mining causal data from either the visual or textual modality. However, there does not exist widespread research that mines causal relationships by juxtaposing the visual and language modalities. While images offer a rich and easy-to-process resource for us to mine causality knowledge from, videos are denser and consist of naturally time-ordered events. Also, textual information offers details that could be implicit in videos. We propose iReason, a framework that infers visual-semantic commonsense knowledge using both videos and natural language captions. Furthermore, iReason's architecture integrates a causal rationalization module to aid the process of interpretability, error analysis and bias detection. We demonstrate the effectiveness of iReason using a two-pronged comparative analysis with language representation learning models (BERT, GPT-2) as well as current state-of-the-art multimodal causality models.

  • 2 authors
·
Jun 24, 2021

A Retrieve-and-Read Framework for Knowledge Graph Link Prediction

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

  • 5 authors
·
Dec 19, 2022

NoisyCausal: A Benchmark for Evaluating Causal Reasoning Under Structured Noise

Causal reasoning in natural language requires identifying relevant variables, understanding their interactions, and reasoning about effects and interventions, often under noisy or ambiguous conditions. While large language models (LLMs) exhibit strong general reasoning abilities, they struggle to disentangle correlation from causation, particularly when observations are partially incorrect or irrelevant information is present. In this work, we introduce NoisyCausal, a new benchmark designed to evaluate causal reasoning under structured noise. Each instance is generated from a ground-truth causal graph and contextualized with a natural language scenario by injecting controllable forms of noise, such as irrelevant distractors, value perturbations, confounding, and partial observability. Moreover, we propose a modular reasoning framework that combines LLMs with explicit causal structure to address these challenges. Our method prompts the LLM to extract variables, construct a causal graph from context, and then reformulates the reasoning task as a structured prompt grounded in this graph. Rather than relying on statistical patterns alone, the LLM is guided by symbolic structure, enabling more interpretable and robust inference. Experimental results show that our method significantly outperforms standard prompting and reasoning baselines on NoisyCausal. Furthermore, it generalizes well to external benchmarks such as Cladder without task-specific tuning. Our findings highlight the importance of combining causal abstractions with language-driven reasoning to achieve faithful and robust causal understanding in LLMs.

  • 2 authors
·
May 4

Analyzing Knowledge Graph Embedding Methods from a Multi-Embedding Interaction Perspective

Knowledge graph is a popular format for representing knowledge, with many applications to semantic search engines, question-answering systems, and recommender systems. Real-world knowledge graphs are usually incomplete, so knowledge graph embedding methods, such as Canonical decomposition/Parallel factorization (CP), DistMult, and ComplEx, have been proposed to address this issue. These methods represent entities and relations as embedding vectors in semantic space and predict the links between them. The embedding vectors themselves contain rich semantic information and can be used in other applications such as data analysis. However, mechanisms in these models and the embedding vectors themselves vary greatly, making it difficult to understand and compare them. Given this lack of understanding, we risk using them ineffectively or incorrectly, particularly for complicated models, such as CP, with two role-based embedding vectors, or the state-of-the-art ComplEx model, with complex-valued embedding vectors. In this paper, we propose a multi-embedding interaction mechanism as a new approach to uniting and generalizing these models. We derive them theoretically via this mechanism and provide empirical analyses and comparisons between them. We also propose a new multi-embedding model based on quaternion algebra and show that it achieves promising results using popular benchmarks. Source code is available on GitHub at https://github.com/tranhungnghiep/AnalyzeKGE.

  • 2 authors
·
Apr 24, 2023

Conditional Attention Networks for Distilling Knowledge Graphs in Recommendation

Knowledge graph is generally incorporated into recommender systems to improve overall performance. Due to the generalization and scale of the knowledge graph, most knowledge relationships are not helpful for a target user-item prediction. To exploit the knowledge graph to capture target-specific knowledge relationships in recommender systems, we need to distill the knowledge graph to reserve the useful information and refine the knowledge to capture the users' preferences. To address the issues, we propose Knowledge-aware Conditional Attention Networks (KCAN), which is an end-to-end model to incorporate knowledge graph into a recommender system. Specifically, we use a knowledge-aware attention propagation manner to obtain the node representation first, which captures the global semantic similarity on the user-item network and the knowledge graph. Then given a target, i.e., a user-item pair, we automatically distill the knowledge graph into the target-specific subgraph based on the knowledge-aware attention. Afterward, by applying a conditional attention aggregation on the subgraph, we refine the knowledge graph to obtain target-specific node representations. Therefore, we can gain both representability and personalization to achieve overall performance. Experimental results on real-world datasets demonstrate the effectiveness of our framework over the state-of-the-art algorithms.

  • 7 authors
·
Nov 3, 2021

Asymmetric Graph Error Control with Low Complexity in Causal Bandits

In this paper, the causal bandit problem is investigated, in which the objective is to select an optimal sequence of interventions on nodes in a causal graph. It is assumed that the graph is governed by linear structural equations; it is further assumed that both the causal topology and the distribution of interventions are unknown. By exploiting the causal relationships between the nodes whose signals contribute to the reward, interventions are optimized. First, based on the difference between the two types of graph identification errors (false positives and negatives), a causal graph learning method is proposed, which strongly reduces sample complexity relative to the prior art by learning sub-graphs. Under the assumption of Gaussian exogenous inputs and minimum-mean squared error weight estimation, a new uncertainty bound tailored to the causal bandit problem is derived. This uncertainty bound drives an upper confidence bound based intervention selection to optimize the reward. To cope with non-stationary bandits, a sub-graph change detection mechanism is proposed, with high sample efficiency. Numerical results compare the new methodology to existing schemes and show a substantial performance improvement in both stationary and non-stationary settings. Compared to existing approaches, the proposed scheme takes 67% fewer samples to learn the causal structure and achieves an average reward gain of 85%.

  • 3 authors
·
Aug 20, 2024

Mitigating Hallucinations in Large Language Models via Causal Reasoning

Large language models (LLMs) exhibit logically inconsistent hallucinations that appear coherent yet violate reasoning principles, with recent research suggesting an inverse relationship between causal reasoning capabilities and such hallucinations. However, existing reasoning approaches in LLMs, such as Chain-of-Thought (CoT) and its graph-based variants, operate at the linguistic token level rather than modeling the underlying causal relationships between variables, lacking the ability to represent conditional independencies or satisfy causal identification assumptions. To bridge this gap, we introduce causal-DAG construction and reasoning (CDCR-SFT), a supervised fine-tuning framework that trains LLMs to explicitly construct variable-level directed acyclic graph (DAG) and then perform reasoning over it. Moreover, we present a dataset comprising 25,368 samples (CausalDR), where each sample includes an input question, explicit causal DAG, graph-based reasoning trace, and validated answer. Experiments on four LLMs across eight tasks show that CDCR-SFT improves the causal reasoning capability with the state-of-the-art 95.33% accuracy on CLADDER (surpassing human performance of 94.8% for the first time) and reduces the hallucination on HaluEval with 10% improvements. It demonstrates that explicit causal structure modeling in LLMs can effectively mitigate logical inconsistencies in LLM outputs. Code is available at https://github.com/MrLYG/CDCR-SFT.

  • 10 authors
·
Aug 17, 2025

Unifying Large Language Models and Knowledge Graphs: A Roadmap

Large language models (LLMs), such as ChatGPT and GPT4, are making new waves in the field of natural language processing and artificial intelligence, due to their emergent ability and generalizability. However, LLMs are black-box models, which often fall short of capturing and accessing factual knowledge. In contrast, Knowledge Graphs (KGs), Wikipedia and Huapu for example, are structured knowledge models that explicitly store rich factual knowledge. KGs can enhance LLMs by providing external knowledge for inference and interpretability. Meanwhile, KGs are difficult to construct and evolving by nature, which challenges the existing methods in KGs to generate new facts and represent unseen knowledge. Therefore, it is complementary to unify LLMs and KGs together and simultaneously leverage their advantages. In this article, we present a forward-looking roadmap for the unification of LLMs and KGs. Our roadmap consists of three general frameworks, namely, 1) KG-enhanced LLMs, which incorporate KGs during the pre-training and inference phases of LLMs, or for the purpose of enhancing understanding of the knowledge learned by LLMs; 2) LLM-augmented KGs, that leverage LLMs for different KG tasks such as embedding, completion, construction, graph-to-text generation, and question answering; and 3) Synergized LLMs + KGs, in which LLMs and KGs play equal roles and work in a mutually beneficial way to enhance both LLMs and KGs for bidirectional reasoning driven by both data and knowledge. We review and summarize existing efforts within these three frameworks in our roadmap and pinpoint their future research directions.

  • 6 authors
·
Jun 14, 2023

COLD: Causal reasOning in cLosed Daily activities

Large Language Models (LLMs) have shown state-of-the-art performance in a variety of tasks, including arithmetic and reasoning; however, to gauge the intellectual capabilities of LLMs, causal reasoning has become a reliable proxy for validating a general understanding of the mechanics and intricacies of the world similar to humans. Previous works in natural language processing (NLP) have either focused on open-ended causal reasoning via causal commonsense reasoning (CCR) or framed a symbolic representation-based question answering for theoretically backed-up analysis via a causal inference engine. The former adds an advantage of real-world grounding but lacks theoretically backed-up analysis/validation, whereas the latter is far from real-world grounding. In this work, we bridge this gap by proposing the COLD (Causal reasOning in cLosed Daily activities) framework, which is built upon human understanding of daily real-world activities to reason about the causal nature of events. We show that the proposed framework facilitates the creation of enormous causal queries (~ 9 million) and comes close to the mini-turing test, simulating causal reasoning to evaluate the understanding of a daily real-world task. We evaluate multiple LLMs on the created causal queries and find that causal reasoning is challenging even for activities trivial to humans. We further explore (the causal reasoning abilities of LLMs) using the backdoor criterion to determine the causal strength between events.

  • 3 authors
·
Nov 29, 2024

Causal Scaffolding for Physical Reasoning: A Benchmark for Causally-Informed Physical World Understanding in VLMs

Understanding and reasoning about the physical world is the foundation of intelligent behavior, yet state-of-the-art vision-language models (VLMs) still fail at causal physical reasoning, often producing plausible but incorrect answers. To address this gap, we introduce CausalPhys, a benchmark of over 3,000 carefully curated video- and image-based questions spanning four domains: Perception, Anticipation, Intervention, and Goal Orientation. Each question is paired with an expert-annotated causal graph capturing object-attribute-event dependencies, enabling interpretable and fine-grained evaluation of causal understanding. Building on this, we formulate a causal-graph-grounded metric that quantitatively measures how well a model's chain-of-thought reasoning aligns with the correct causal relations, moving beyond answer-only accuracy and enabling systematic diagnosis of VLMs' causal reasoning failures. Using this metric, we conduct a comprehensive analysis of leading VLMs, revealing systematic gaps in capturing causal dependencies and underscoring the need for causality-aware learning. To address these limitations, we further propose Causal Rationale-informed Fine-Tuning (CRFT), which explicitly aligns VLM reasoning with causal structures. Extensive experiments demonstrate that CRFT substantially enhances both reasoning accuracy and interpretability across multiple model backbones. By unifying dataset curation, causal evaluation, and causality-informed learning, CausalPhys establishes a strong foundation for advancing modern VLMs toward causally grounded physical reasoning.

  • 7 authors
·
Jun 3

CausalTime: Realistically Generated Time-series for Benchmarking of Causal Discovery

Time-series causal discovery (TSCD) is a fundamental problem of machine learning. However, existing synthetic datasets cannot properly evaluate or predict the algorithms' performance on real data. This study introduces the CausalTime pipeline to generate time-series that highly resemble the real data and with ground truth causal graphs for quantitative performance evaluation. The pipeline starts from real observations in a specific scenario and produces a matching benchmark dataset. Firstly, we harness deep neural networks along with normalizing flow to accurately capture realistic dynamics. Secondly, we extract hypothesized causal graphs by performing importance analysis on the neural network or leveraging prior knowledge. Thirdly, we derive the ground truth causal graphs by splitting the causal model into causal term, residual term, and noise term. Lastly, using the fitted network and the derived causal graph, we generate corresponding versatile time-series proper for algorithm assessment. In the experiments, we validate the fidelity of the generated data through qualitative and quantitative experiments, followed by a benchmarking of existing TSCD algorithms using these generated datasets. CausalTime offers a feasible solution to evaluating TSCD algorithms in real applications and can be generalized to a wide range of fields. For easy use of the proposed approach, we also provide a user-friendly website, hosted on www.causaltime.cc.

  • 6 authors
·
Oct 2, 2023

AGENTiGraph: An Interactive Knowledge Graph Platform for LLM-based Chatbots Utilizing Private Data

Large Language Models~(LLMs) have demonstrated capabilities across various applications but face challenges such as hallucination, limited reasoning abilities, and factual inconsistencies, especially when tackling complex, domain-specific tasks like question answering~(QA). While Knowledge Graphs~(KGs) have been shown to help mitigate these issues, research on the integration of LLMs with background KGs remains limited. In particular, user accessibility and the flexibility of the underlying KG have not been thoroughly explored. We introduce AGENTiGraph (Adaptive Generative ENgine for Task-based Interaction and Graphical Representation), a platform for knowledge management through natural language interaction. It integrates knowledge extraction, integration, and real-time visualization. AGENTiGraph employs a multi-agent architecture to dynamically interpret user intents, manage tasks, and integrate new knowledge, ensuring adaptability to evolving user requirements and data contexts. Our approach demonstrates superior performance in knowledge graph interactions, particularly for complex domain-specific tasks. Experimental results on a dataset of 3,500 test cases show AGENTiGraph significantly outperforms state-of-the-art zero-shot baselines, achieving 95.12\% accuracy in task classification and 90.45\% success rate in task execution. User studies corroborate its effectiveness in real-world scenarios. To showcase versatility, we extended AGENTiGraph to legislation and healthcare domains, constructing specialized KGs capable of answering complex queries in legal and medical contexts.

  • 13 authors
·
Oct 15, 2024

Can Large Language Models Infer Causal Relationships from Real-World Text?

Understanding and inferring causal relationships from texts is a core aspect of human cognition and is essential for advancing large language models (LLMs) towards artificial general intelligence. Existing work primarily focuses on synthetically generated texts which involve simple causal relationships explicitly mentioned in the text. This fails to reflect the complexities of real-world tasks. In this paper, we investigate whether LLMs are capable of inferring causal relationships from real-world texts. We develop a benchmark drawn from real-world academic literature which includes diverse texts with respect to length, complexity of relationships (different levels of explicitness, number of events, and causal relationships), and domains and sub-domains. To the best of our knowledge, our benchmark is the first-ever real-world dataset for this task. Our experiments on state-of-the-art LLMs evaluated on our proposed benchmark demonstrate significant challenges, with the best-performing model achieving an average F1 score of only 0.477. Analysis reveals common pitfalls: difficulty with implicitly stated information, in distinguishing relevant causal factors from surrounding contextual details, and with connecting causally relevant information spread across lengthy textual passages. By systematically characterizing these deficiencies, our benchmark offers targeted insights for further research into advancing LLM causal reasoning.

  • 4 authors
·
May 24, 2025 2

Causal Evaluation of Language Models

Causal reasoning is viewed as crucial for achieving human-level machine intelligence. Recent advances in language models have expanded the horizons of artificial intelligence across various domains, sparking inquiries into their potential for causal reasoning. In this work, we introduce Causal evaluation of Language Models (CaLM), which, to the best of our knowledge, is the first comprehensive benchmark for evaluating the causal reasoning capabilities of language models. First, we propose the CaLM framework, which establishes a foundational taxonomy consisting of four modules: causal target (i.e., what to evaluate), adaptation (i.e., how to obtain the results), metric (i.e., how to measure the results), and error (i.e., how to analyze the bad results). This taxonomy defines a broad evaluation design space while systematically selecting criteria and priorities. Second, we compose the CaLM dataset, comprising 126,334 data samples, to provide curated sets of causal targets, adaptations, metrics, and errors, offering extensive coverage for diverse research pursuits. Third, we conduct an extensive evaluation of 28 leading language models on a core set of 92 causal targets, 9 adaptations, 7 metrics, and 12 error types. Fourth, we perform detailed analyses of the evaluation results across various dimensions (e.g., adaptation, scale). Fifth, we present 50 high-level empirical findings across 9 dimensions (e.g., model), providing valuable guidance for future language model development. Finally, we develop a multifaceted platform, including a website, leaderboards, datasets, and toolkits, to support scalable and adaptable assessments. We envision CaLM as an ever-evolving benchmark for the community, systematically updated with new causal targets, adaptations, models, metrics, and error types to reflect ongoing research advancements. Project website is at https://opencausalab.github.io/CaLM.

OpenCausaLab OpenCausaLab
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May 1, 2024

Comparison of biomedical relationship extraction methods and models for knowledge graph creation

Biomedical research is growing at such an exponential pace that scientists, researchers, and practitioners are no more able to cope with the amount of published literature in the domain. The knowledge presented in the literature needs to be systematized in such a way that claims and hypotheses can be easily found, accessed, and validated. Knowledge graphs can provide such a framework for semantic knowledge representation from literature. However, in order to build a knowledge graph, it is necessary to extract knowledge as relationships between biomedical entities and normalize both entities and relationship types. In this paper, we present and compare few rule-based and machine learning-based (Naive Bayes, Random Forests as examples of traditional machine learning methods and DistilBERT, PubMedBERT, T5 and SciFive-based models as examples of modern deep learning transformers) methods for scalable relationship extraction from biomedical literature, and for the integration into the knowledge graphs. We examine how resilient are these various methods to unbalanced and fairly small datasets. Our experiments show that transformer-based models handle well both small (due to pre-training on a large dataset) and unbalanced datasets. The best performing model was the PubMedBERT-based model fine-tuned on balanced data, with a reported F1-score of 0.92. DistilBERT-based model followed with F1-score of 0.89, performing faster and with lower resource requirements. BERT-based models performed better then T5-based generative models.

  • 2 authors
·
Jan 5, 2022

Higher-Order Knowledge Representations for Agentic Scientific Reasoning

Scientific inquiry requires systems-level reasoning that integrates heterogeneous experimental data, cross-domain knowledge, and mechanistic evidence into coherent explanations. While Large Language Models (LLMs) offer inferential capabilities, they often depend on retrieval-augmented contexts that lack structural depth. Traditional Knowledge Graphs (KGs) attempt to bridge this gap, yet their pairwise constraints fail to capture the irreducible higher-order interactions that govern emergent physical behavior. To address this, we introduce a methodology for constructing hypergraph-based knowledge representations that faithfully encode multi-entity relationships. Applied to a corpus of ~1,100 manuscripts on biocomposite scaffolds, our framework constructs a global hypergraph of 161,172 nodes and 320,201 hyperedges, revealing a scale-free topology (power law exponent ~1.23) organized around highly connected conceptual hubs. This representation prevents the combinatorial explosion typical of pairwise expansions and explicitly preserves the co-occurrence context of scientific formulations. We further demonstrate that equipping agentic systems with hypergraph traversal tools, specifically using node-intersection constraints, enables them to bridge semantically distant concepts. By exploiting these higher-order pathways, the system successfully generates grounded mechanistic hypotheses for novel composite materials, such as linking cerium oxide to PCL scaffolds via chitosan intermediates. This work establishes a "teacherless" agentic reasoning system where hypergraph topology acts as a verifiable guardrail, accelerating scientific discovery by uncovering relationships obscured by traditional graph methods.

  • 2 authors
·
Jan 8

Agentic Deep Graph Reasoning Yields Self-Organizing Knowledge Networks

We present an agentic, autonomous graph expansion framework that iteratively structures and refines knowledge in situ. Unlike conventional knowledge graph construction methods relying on static extraction or single-pass learning, our approach couples a reasoning-native large language model with a continually updated graph representation. At each step, the system actively generates new concepts and relationships, merges them into a global graph, and formulates subsequent prompts based on its evolving structure. Through this feedback-driven loop, the model organizes information into a scale-free network characterized by hub formation, stable modularity, and bridging nodes that link disparate knowledge clusters. Over hundreds of iterations, new nodes and edges continue to appear without saturating, while centrality measures and shortest path distributions evolve to yield increasingly distributed connectivity. Our analysis reveals emergent patterns, such as the rise of highly connected 'hub' concepts and the shifting influence of 'bridge' nodes, indicating that agentic, self-reinforcing graph construction can yield open-ended, coherent knowledge structures. Applied to materials design problems, we present compositional reasoning experiments by extracting node-specific and synergy-level principles to foster genuinely novel knowledge synthesis, yielding cross-domain ideas that transcend rote summarization and strengthen the framework's potential for open-ended scientific discovery. We discuss other applications in scientific discovery and outline future directions for enhancing scalability and interpretability.

  • 1 authors
·
Feb 18, 2025

Causal de Finetti: On the Identification of Invariant Causal Structure in Exchangeable Data

Learning causal structure from observational data often assumes that we observe independent and identically distributed (i.\,i.\,d) data. The traditional approach aims to find a graphical representation that encodes the same set of conditional independence relationships as those present in the observed distribution. It is known that under i.\,i.\,d assumption, even with infinite data, there is a limit to how fine-grained a causal structure we can identify. To overcome this limitation, recent work has explored using data originating from different, related environments to learn richer causal structure. These approaches implicitly rely on the independent causal mechanisms (ICM) principle, which postulates that the mechanism giving rise to an effect given its causes and the mechanism which generates the causes do not inform or influence each other. Thus, components of the causal model can independently change from environment to environment. Despite its wide application in machine learning and causal inference, there is a lack of statistical formalization of the ICM principle and how it enables identification of richer causal structures from grouped data. Here we present new causal de Finetti theorems which offer a first statistical formalization of ICM principle and show how causal structure identification is possible from exchangeable data. Our work provides theoretical justification for a broad range of techniques leveraging multi-environment data to learn causal structure.

  • 4 authors
·
Mar 29, 2022

Causal Analysis for Robust Interpretability of Neural Networks

Interpreting the inner function of neural networks is crucial for the trustworthy development and deployment of these black-box models. Prior interpretability methods focus on correlation-based measures to attribute model decisions to individual examples. However, these measures are susceptible to noise and spurious correlations encoded in the model during the training phase (e.g., biased inputs, model overfitting, or misspecification). Moreover, this process has proven to result in noisy and unstable attributions that prevent any transparent understanding of the model's behavior. In this paper, we develop a robust interventional-based method grounded by causal analysis to capture cause-effect mechanisms in pre-trained neural networks and their relation to the prediction. Our novel approach relies on path interventions to infer the causal mechanisms within hidden layers and isolate relevant and necessary information (to model prediction), avoiding noisy ones. The result is task-specific causal explanatory graphs that can audit model behavior and express the actual causes underlying its performance. We apply our method to vision models trained on classification tasks. On image classification tasks, we provide extensive quantitative experiments to show that our approach can capture more stable and faithful explanations than standard attribution-based methods. Furthermore, the underlying causal graphs reveal the neural interactions in the model, making it a valuable tool in other applications (e.g., model repair).

  • 5 authors
·
May 15, 2023

Towards CausalGPT: A Multi-Agent Approach for Faithful Knowledge Reasoning via Promoting Causal Consistency in LLMs

Despite the progress of foundation models, knowledge-based reasoning remains a persistent challenge due to their limited capacity for knowledge recall and inference. Existing methods primarily focus on encouraging these models to plan and solve problems or extensively sample reasoning chains independently. However, these methods often overlook conceptual errors and inferential fallacies, inevitably leading to a series of notorious issues such as misleading conclusions, cognitive biases, and reduced decision quality. While explicit modeling of causality is argued to hold promise in addressing these issues, contemporary research efforts have thus far fallen short in achieving causality-based foundation models. Drawing inspiration from the orchestration of diverse specialized agents collaborating to tackle intricate tasks, we propose a framework named Causal-Consistency Chain-of-Thought (CaCo-CoT) that harnesses multi-agent collaboration to bolster the faithfulness and causality of foundation models, involving a set of reasoners and evaluators. These agents collaboratively work within a reasoning-and-consensus paradigm to improve faithfulness. The reasoners are tasked with generating reasoning chains for knowledge-intensive problems by mimicking human causal reasoning. Meanwhile, the evaluator scrutinizes the causal consistency of a reasoner's reasoning chain from a non-causal and a counterfactual perspective. Our framework demonstrates significant superiority over state-of-the-art methods through extensive and comprehensive evaluations across text-based and multi-modal knowledge reasoning tasks (e.g., science question answering and commonsense reasoning).

  • 9 authors
·
Feb 11, 2025

CausalDS: Benchmarking Causal Reasoning in Data-Science Agents

Large language models (LLMs) increasingly act as integrated data-science agents, combining abstract reasoning with advanced tool use. Yet the relevant benchmark landscape largely divides into symbolic causal reasoning benchmarks without realistic data analysis or data analysis benchmarks without a principled causal data-generating structure. Furthermore, existing causal evaluation datasets are often restricted to curated examples from existing sources, with diversity coming from limited templatized variations rather than from systematic generation of novel synthetic causal structures. We introduce CausalDS, a benchmark for evaluating causal reasoning in agentic data-science workflows. Each benchmark instance is a scene consisting of a sampled structural causal model (SCM) with generated observational data and an accompanying synthetic natural-language story grounded in a realistic domain. We optionally ground the composition of the benchmark components in empirical distributions obtained from real-world datasets, thus retaining empirical structure while reducing the "causal parrot" risk through completely synthetic generation. From each scene, we then derive tasks spanning all three of Pearl's rungs, with typical data-science prediction tasks appearing as Rung 1. Most tasks include a data science coding component, where the model typically needs to use several tools to arrive at the final answer due to the frequent presence of imperfect observations, which are generated by an observation model. Additionally, recognizing when a question admits no warranted answer and abstaining is treated as a first-class scored outcome. The benchmark thus jointly evaluates symbolic causal reasoning, data science, uncertainty quantification, abstention, and tool use/coding.

Accelerating Scientific Discovery with Generative Knowledge Extraction, Graph-Based Representation, and Multimodal Intelligent Graph Reasoning

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

  • 1 authors
·
Mar 18, 2024

Measuring Graph-to-Graph Semantic Similarity in Knowledge Graphs: An Empirical Evaluation of Knowledge Graph Embeddings

A Knowledge Graph (KG) represents facts as structured triples and is widely used to organize relational knowledge across diverse domains. Just as textual information ranges from words and sentences to complete documents, KG information can be interpreted at multiple levels, from entities, relations, and triples to subgraphs and entire KGs. However, existing KG embedding methods mainly focus on entities, relations, and triples, leaving graph-level semantics largely unaddressed. Conventional graph-level methods, which typically compare graphs based on structural patterns, are also insufficient because structural similarity alone cannot guarantee semantic similarity between KGs. To evaluate how well different methods capture such graph-level semantic information, we study graph-to-graph semantic similarity, which determines whether a pair of KGs represents semantically corresponding underlying information. To obtain reliable ground-truth correspondences, we construct a semantic matching dataset by modifying text documents, extracting KGs from both original and modified documents, and transferring their known correspondences to KG pairs. We compare text-based, structure-based, and KG embedding-based approaches on each dataset. For the KG embedding-based approach, we introduce two scoring functions: EmbPairSim, which uses maximal pairwise entity similarity, and AvgEmbSim, which uses a frequency-weighted centroid. Experiments on WikiText-2 and CC-News show that EmbPairSim achieves up to 5.3 pp higher MRR than Sentence-BERT while using substantially fewer parameters. These results suggest that KGE representations can serve as compact and effective signals for graph-to-graph semantic similarity in KGs. Our code is available at https://github.com/SeungRyeolBaek/KG-to-KG-Semantic-Similarity.

  • 3 authors
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Jun 29