GeoRDF2Vec Learning Location-Aware Entity Representations in Knowledge Graphs

Many knowledge graphs contain a substantial number of spatial entities, such as cities, buildings, and natural landmarks. For many of these entities, exact geometries are stored within the knowledge graphs. However, most existing approaches for learning entity representations do not take these geometries into account. In this paper, we introduce a variant of RDF2Vec that incorporates geometric information to learn location-aware embeddings of entities. Our approach expands different nodes by flooding the graph from geographic nodes, ensuring that each reachable node is considered. Based on the resulting flooded graph, we apply a modified version of RDF2Vec that biases graph walks using spatial weights. Through evaluations on multiple benchmark datasets, we demonstrate that our approach outperforms both non-location-aware RDF2Vec and GeoTransE.

ConTextual: Improving Clinical Text Summarization in LLMs with Context-preserving Token Filtering and Knowledge Graphs

Unstructured clinical data can serve as a unique and rich source of information that can meaningfully inform clinical practice. Extracting the most pertinent context from such data is critical for exploiting its true potential toward optimal and timely decision-making in patient care. While prior research has explored various methods for clinical text summarization, most prior studies either process all input tokens uniformly or rely on heuristic-based filters, which can overlook nuanced clinical cues and fail to prioritize information critical for decision-making. In this study, we propose Contextual, a novel framework that integrates a Context-Preserving Token Filtering method with a Domain-Specific Knowledge Graph (KG) for contextual augmentation. By preserving context-specific important tokens and enriching them with structured knowledge, ConTextual improves both linguistic coherence and clinical fidelity. Our extensive empirical evaluations on two public benchmark datasets demonstrate that ConTextual consistently outperforms other baselines. Our proposed approach highlights the complementary role of token-level filtering and structured retrieval in enhancing both linguistic and clinical integrity, as well as offering a scalable solution for improving precision in clinical text generation.

Transformers for Complex Query Answering over Knowledge Hypergraphs

Complex Query Answering (CQA) has been extensively studied in recent years. In order to model data that is closer to real-world distribution, knowledge graphs with different modalities have been introduced. Triple KGs, as the classic KGs composed of entities and relations of arity 2, have limited representation of real-world facts. Real-world data is more sophisticated. While hyper-relational graphs have been introduced, there are limitations in representing relationships of varying arity that contain entities with equal contributions. To address this gap, we sampled new CQA datasets: JF17k-HCQA and M-FB15k-HCQA. Each dataset contains various query types that include logical operations such as projection, negation, conjunction, and disjunction. In order to answer knowledge hypergraph (KHG) existential first-order queries, we propose a two-stage transformer model, the Logical Knowledge Hypergraph Transformer (LKHGT), which consists of a Projection Encoder for atomic projection and a Logical Encoder for complex logical operations. Both encoders are equipped with Type Aware Bias (TAB) for capturing token interactions. Experimental results on CQA datasets show that LKHGT is a state-of-the-art CQA method over KHG and is able to generalize to out-of-distribution query types.

Evaluating Multi-Hop Reasoning in Large Language Models: A Chemistry-Centric Case Study

In this study, we introduced a new benchmark consisting of a curated dataset and a defined evaluation process to assess the compositional reasoning capabilities of large language models within the chemistry domain. We designed and validated a fully automated pipeline, verified by subject matter experts, to facilitate this task. Our approach integrates OpenAI reasoning models with named entity recognition (NER) systems to extract chemical entities from recent literature, which are then augmented with external knowledge bases to form a comprehensive knowledge graph. By generating multi-hop questions across these graphs, we assess LLM performance in both context-augmented and non-context augmented settings. Our experiments reveal that even state-of-the-art models face significant challenges in multi-hop compositional reasoning. The results reflect the importance of augmenting LLMs with document retrieval, which can have a substantial impact on improving their performance. However, even perfect retrieval accuracy with full context does not eliminate reasoning errors, underscoring the complexity of compositional reasoning. This work not only benchmarks and highlights the limitations of current LLMs but also presents a novel data generation pipeline capable of producing challenging reasoning datasets across various domains. Overall, this research advances our understanding of reasoning in computational linguistics.

LLM-assisted Graph-RAG Information Extraction from IFC Data

IFC data has become the general building information standard for collaborative work in the construction industry. However, IFC data can be very complicated because it allows for multiple ways to represent the same product information. In this research, we utilise the capabilities of LLMs to parse the IFC data with Graph Retrieval-Augmented Generation (Graph-RAG) technique to retrieve building object properties and their relations. We will show that, despite limitations due to the complex hierarchy of the IFC data, the Graph-RAG parsing enhances generative LLMs like GPT-4o with graph-based knowledge, enabling natural language query-response retrieval without the need for a complex pipeline.

Combining GCN Structural Learning with LLM Chemical Knowledge for or Enhanced Virtual Screening

Virtual screening plays a critical role in modern drug discovery by enabling the identification of promising candidate molecules for experimental validation. Traditional machine learning methods such as support vector machines (SVM) and XGBoost rely on predefined molecular representations, often leading to information loss and potential bias. In contrast, deep learning approaches-particularly Graph Convolutional Networks (GCNs)-offer a more expressive and unbiased alternative by operating directly on molecular graphs. Meanwhile, Large Language Models (LLMs) have recently demonstrated state-of-the-art performance in drug design, thanks to their capacity to capture complex chemical patterns from large-scale data via attention mechanisms. In this paper, we propose a hybrid architecture that integrates GCNs with LLM-derived embeddings to combine localized structural learning with global chemical knowledge. The LLM embeddings can be precomputed and stored in a molecular feature library, removing the need to rerun the LLM during training or inference and thus maintaining computational efficiency. We found that concatenating the LLM embeddings after each GCN layer-rather than only at the final layer-significantly improves performance, enabling deeper integration of global context throughout the network. The resulting model achieves superior results, with an F1-score of (88.8%), outperforming standalone GCN (87.9%), XGBoost (85.5%), and SVM (85.4%) baselines.

WALL-E 2.0: World Alignment by NeuroSymbolic Learning improves World Model-based LLM Agents

Can we build accurate world models out of large language models (LLMs)? How can world models benefit LLM agents? The gap between the prior knowledge of LLMs and the specified environment's dynamics usually bottlenecks LLMs' performance as world models. To bridge the gap, we propose a training-free "world alignment" that learns an environment's symbolic knowledge complementary to LLMs. The symbolic knowledge covers action rules, knowledge graphs, and scene graphs, which are extracted by LLMs from exploration trajectories and encoded into executable codes to regulate LLM agents' policies. We further propose an RL-free, model-based agent "WALL-E 2.0" through the model-predictive control (MPC) framework. Unlike classical MPC requiring costly optimization on the fly, we adopt an LLM agent as an efficient look-ahead optimizer of future steps' actions by interacting with the neurosymbolic world model. While the LLM agent's strong heuristics make it an efficient planner in MPC, the quality of its planned actions is also secured by the accurate predictions of the aligned world model. They together considerably improve learning efficiency in a new environment. On open-world challenges in Mars (Minecraft like) and ALFWorld (embodied indoor environments), WALL-E 2.0 significantly outperforms existing methods, e.g., surpassing baselines in Mars by 16.1%-51.6% of success rate and by at least 61.7% in score. In ALFWorld, it achieves a new record 98% success rate after only 4 iterations.

HeRB: Heterophily-Resolved Structure Balancer for Graph Neural Networks

Recent research has witnessed the remarkable progress of Graph Neural Networks (GNNs) in the realm of graph data representation. However, GNNs still encounter the challenge of structural imbalance. Prior solutions to this problem did not take graph heterophily into account, namely that connected nodes process distinct labels or features, thus resulting in a deficiency in effectiveness. Upon verifying the impact of heterophily on solving the structural imbalance problem, we propose to rectify the heterophily first and then transfer homophilic knowledge. To the end, we devise a method named HeRB (Heterophily-Resolved Structure Balancer) for GNNs. HeRB consists of two innovative components: 1) A heterophily-lessening augmentation module which serves to reduce inter-class edges and increase intra-class edges; 2) A homophilic knowledge transfer mechanism to convey homophilic information from head nodes to tail nodes. Experimental results demonstrate that HeRB achieves superior performance on two homophilic and six heterophilic benchmark datasets, and the ablation studies further validate the efficacy of two proposed components.

Approximating Optimal Labelings for Temporal Connectivity

In a temporal graph the edge set dynamically changes over time according to a set of time-labels associated with each edge that indicates at which time-steps the edge is available. Two vertices are connected if there is a path connecting them in which the edges are traversed in increasing order of their labels. We study the problem of scheduling the availability time of the edges of a temporal graph in such a way that all pairs of vertices are connected within a given maximum allowed time $a$ and the overall number of labels is minimized. The problem, known as \emph{Minimum Aged Labeling} (MAL), has several applications in logistics, distribution scheduling, and information spreading in social networks, where carefully choosing the time-labels can significantly reduce infrastructure costs, fuel consumption, or greenhouse gases. The problem MAL has previously been proved to be NP-complete on undirected graphs and \APX-hard on directed graphs. In this paper, we extend our knowledge on the complexity and approximability of MAL in several directions. We first show that the problem cannot be approximated within a factor better than $O(\log n)$ when $a\geq 2$, unless $\text{P} = \text{NP}$, and a factor better than $2^{\log ^{1-\epsilon} n}$ when $a\geq 3$, unless $\text{NP}\subseteq \text{DTIME}(2^{\text{polylog}(n)})$, where $n$ is the number of vertices in the graph. Then we give a set of approximation algorithms that, under some conditions, almost match these lower bounds. In particular, we show that the approximation depends on a relation between $a$ and the diameter of the input graph. We further establish a connection with a foundational optimization problem on static graphs called \emph{Diameter Constrained Spanning Subgraph} (DCSS) and show that our hardness results also apply to DCSS.

KGMEL: Knowledge Graph-Enhanced Multimodal Entity Linking

Entity linking (EL) aligns textual mentions with their corresponding entities in a knowledge base, facilitating various applications such as semantic search and question answering. Recent advances in multimodal entity linking (MEL) have shown that combining text and images can reduce ambiguity and improve alignment accuracy. However, most existing MEL methods overlook the rich structural information available in the form of knowledge-graph (KG) triples. In this paper, we propose KGMEL, a novel framework that leverages KG triples to enhance MEL. Specifically, it operates in three stages: (1) Generation: Produces high-quality triples for each mention by employing vision-language models based on its text and images. (2) Retrieval: Learns joint mention-entity representations, via contrastive learning, that integrate text, images, and (generated or KG) triples to retrieve candidate entities for each mention. (3) Reranking: Refines the KG triples of the candidate entities and employs large language models to identify the best-matching entity for the mention. Extensive experiments on benchmark datasets demonstrate that KGMEL outperforms existing methods. Our code and datasets are available at: https://github.com/juyeonnn/KGMEL.