Visual Commonsense Driven Knowledge Refinements for Scene Graph Generation

Learning-driven Scene Graph Generation (SGG) models excel on frequent relation types but degrade sharply under annotation sparsity, failing to capture reliable visual commonsense knowledge. We propose a model-agnostic, semantically-guided knowledge refinement framework that systematically mines commonsense-grounded constraints from training data - capturing spatial, functional, and qualitative relational regularities - and uses general declarative commonsense reasoning to correct and refine ranked SGG predictions at inference time. The framework requires no manual rule authoring, no model retraining, and transfers across datasets and architectures. On three standard benchmarks, we obtain consistent improvements over strong baselines, demonstrating that structured visual commonsense reasoning over deep scene semantics is a practical and effective complement to purely learning-based scene graph generation.

Generative Modeling of Discrete Latent Structures via Dynamic Policy Gradients

Many scientific problems require inferring unobserved mechanistic latent states from indirect observations. While classical approaches, including expectation maximization, do not scale to combinatorially large spaces, deep learning approaches such as variational autoencoders typically form artificial latent states rather than reconstructing the mechanistic ground-truth states. Here, we introduce GReinSS, a policy learning framework that uses dynamically rescaled rewards to learn latent state distributions that maximize the observed data likelihood. We show that GReinSS accurately reconstructs simulated latent sets and latent graphs, outperforming alternative policy learning and generative modeling baselines. Additionally, GReinSS reconstructs isoforms from real short-read RNA sequencing data that better match isoforms detected by orthogonal long-read sequencing than the standard RSEM algorithm. Overall, GReinSS is a principled and practically effective approach for generative modeling and inference of combinatorial latent states from indirect observations.

Generative Molecular Morphing for Flexible-Size Design via Unbalanced Optimal Transport

The success of generative molecular design hinges on a model's steerability toward high-reward samples. Because many molecular properties are intrinsically linked to molecular size, accurately capturing the joint distribution of properties and the number of atoms is essential. However, current diffusion and flow-based models fix the number of atoms, which ultimately limits their ability to navigate this complex relationship. To address this, we introduce Morph, a flexible-size generative model for conditional and unconditional 3D molecular design based on geometric graphs. By dynamically adapting size, Morph can seamlessly integrate existing structural priors, like scaffolds, and significantly enhances property steering. We show that Morph matches current fixed-size state-of-the-art models while offering the benefit of unparalleled sampling flexibility. We demonstrate out-of-distribution generation in regimes where previous models fail, paving the way for enhanced generative modeling for molecular design.

Graph Neural Network leveraging Higher-order Class Label Connectivity for Heterophilous Graphs

Node classification in graph neural networks (GNNs) has been widely applied in various fields of graph analysis. GNNs achieve high-accuracy node classification in homophilous graphs, where nodes with the same class label tend to be connected. However, their performance remains limited in heterophilous graphs, where nodes with different class labels are more likely to be connected. In particular, current GNNs derived from graph convolutional networks cannot capture higher-order class label connectivity, which is frequently observed in real-world heterophilous graphs. To address this issue, we propose a novel classifier, Label Context Classifier (LCC), designed to capture higher-order class label connectivity in directed graphs. LCC estimates the class label of a target node by leveraging label context embeddings that are generated through four distinct types of walks. In addition, our approach allows the integration of LCC and any GNN by adaptively learning their importance. Experimental results demonstrate that GNNs integrated with LCC outperform SOTA methods and the label context embeddings improve the node classification performance in heterophilous directed graphs.

Evidence-Based Intelligent Diagnostic and Therapeutic Visualization System with Large Language Models: Multi-Turn Interaction and Multimodal Treatment Plan Generation

Aim: Existing AI-assisted traditional Chinese medicine diagnostic tools suffer from opaque reasoning processes, passive interaction, and limited treatment plan presentation. This study proposes a knowledge-enhanced visual diagnostic system to improve the transparency and interpretability of syndrome differentiation and treatment. Methods: The system is built upon a Neo4j knowledge graph comprising 241 syndromes, 1,263 symptoms, and 2,485 relations. It incorporates a four-stage symptom matching pipeline (exact, semantic, fuzzy, and large language model verification), an information gain-driven proactive questioning strategy optimized with genetic algorithms, and a multimodal treatment presentation integrating artificial intelligence-generated illustrations, three-dimensional meridian-acupoint models, and evidence-based literature. Results: Knowledge graph constraints reduced non-standard outputs by 32%. Case studies validated the effectiveness of the interactive workflow across patient self-assessment, clinician-assisted diagnosis, and traditional Chinese medicine education. Automated paired-comparison evaluation across 30 cases further demonstrated significant improvements in diagnostic trust (Cohen's d = 1.82, p < 0.001), reduced cognitive load (improvements in four of five dimensions), and higher credibility of evidence-based references (4.21 vs. 2.95). Conclusions: The proposed system enhances the transparency of traditional Chinese medicine diagnostic reasoning and the interpretability of treatment plans through knowledge graph-driven visualization and multimodal interaction, offering a practical solution for trustworthy artificial intelligence-assisted traditional Chinese medicine applications.

Generating Graph-Like Logical Rules for Knowledge Graph Reasoning via Diffusion Models

Logical rules constitute a cornerstone of knowledge graph (KG) reasoning, valued for their interpretability and ability to model relational patterns. However, existing rule mining methods predominantly focus on simple chain-like rules and therefore neglect the richer relational information encoded in graph-like structures, such as cycles and branches. This limitation is further exacerbated by computational bottlenecks caused by the combinatorial explosion of the search space, which is especially challenging for graph-like rules. Meanwhile, generative approaches such as diffusion models, despite their success in other domains, cannot be directly applied to rule mining because their training objectives are not aligned with the goal of learning high-quality rules, and non-differentiable KG rule quality metrics cannot directly guide model optimization. To address these limitations, we propose GRiD, a framework that reformulates graph-like rule discovery as a discrete generative process conditioned on the target relation. GRiD employs a two-phase training strategy. First, supervised pre-training enables GRiD to capture structural priors from subgraphs sampled from the KG meta-graph. Subsequently, reinforcement learning is applied to fine-tune GRiD through policy gradient optimization guided directly by non-differentiable rule-quality metrics. Experiments on six benchmark datasets show that GRiD achieves competitive performance on KG completion tasks. Ablation studies confirm the efficiency and robustness of GRiD and further show that graph-like rules complement chain-like rules in KG completion. Our code and datasets are available in https://github.com/Haoxiang-Cheng/GRiD.

Didact: A Cross-Domain Capability Discovery System for Defence

Policymakers in defence and defence-aligned sectors must monitor rapidly evolving research alongside sector priorities relevant to operational and strategic needs. In practice, these sources are fragmented across heterogeneous formats, disjoint repositories, and siloed update streams, making capability discovery slow and difficult to audit. We present Didact, a prototype that integrates publicly available defence reports and policy documents from Australia with a purpose-built knowledge graph derived from Australian research publications. Didact provides natural language conversations for policy-oriented workflows, and leverages a composite retrieval-augmented generation (RAG) pipeline. A key feature of Didact is an interactive Evidence Rail that visualises retrieved evidence and source relationships. Our evaluation of the output quality and runtime of Didact highlights its utility. While Didact has been co-developed as an academia-industry project for the Australian context, it is adaptable to other domains where knowledge is similarly fragmented. A demonstration video is available here:

MetaConfigurator: AI-Assisted RDF Authoring from JSON Data

Scientific workflows increasingly generate structured JSON data that is easy to exchange but difficult to interpret consistently across systems due to lacking semantic interoperability. While JSON Schema ensures structural validation, it provides no native support for Linked Data semantics. This paper presents an RDF Authoring View extending the open-source JSON Schema editor MetaConfigurator, enabling researchers to transform existing JSON, YAML, or CSV data into RDF using AI-assisted RML mappings, refine triples, execute SPARQL queries, visualize knowledge graphs, and export RDF serializations within a single integrated web interface. This workflow is supported by ontology-aware IRI auto-completion, bidirectional synchronization between JSON-LD text views and RDF triple tables, and AI-assisted SPARQL query generation from natural language hints. We demonstrate the workflow using laboratory data from metal-organic framework (MOF) synthesis experiments. Protocol data describing reagents, procedure steps, and quantities is converted from JSON to ontology-based JSON-LD via RML mappings. We then refine the semantic representation, query relationships between experimental conditions and outcomes, and explore the resulting knowledge graph interactively. This integrated environment bridges conventional structured data management with Semantic Web technologies while preserving experimental context and lowering technical barriers through AI assistance.

HyperVis: Continuous Latent Visual Relational Graphs on the Lorentz Hyperboloid for Compositional Reasoning

Vision-Language Models (VLMs) struggle with compositional reasoning that requires understanding inter-object relationships. A natural remedy is to inject explicit scene graph triplets $\langle s, p, o \rangle$ from an off-the-shelf scene graph generator (SGG), but we show this backfires: discrete text labels collide with the continuous visual modality, degrading GQA accuracy from 60.38\% to 58.86\%. We propose \textbf{HyperVis}, which bypasses the SGG semantic bottleneck entirely. From $N$ class-agnostic region proposals, we compute a dense $O(N^2)$ visual relation tensor via spatially-biased cross-attention, project it onto a Lorentz hyperboloid, and enforce hierarchy through spatial physics, namely IoA-driven entailment cones and exterior-angle repulsion. We discover that HyperVis contributes in two complementary ways: (1) as a \emph{training-time regularizer}, the hyperbolic relational losses shape LoRA representations that improve generative VQA (GQA 61.03\% vs.\ 57.21\% for LoRA fine-tuning without relational losses, recovering and surpassing the baseline); and (2) as an \emph{inference-time relational encoder}, hyperbolic prefix tokens boost discriminative compositional scoring (SugarCrepe 79.94\%, $+$6.25pp over baseline). The learned curvature stabilises at $κ{=}4.0$, an order of magnitude above prior hyperbolic VLMs where $κ$ typically collapses toward zero, indicating that continuous visual features genuinely require the exponential volume of strongly curved space. A controlled Euclidean ablation confirms this decomposition: the relational pipeline regularises LoRA comparably in flat space (GQA 60.81\%), but the compositionality gain is specifically hyperbolic (SugarCrepe $+$4.58pp over Euclidean), with entailment loss ${\sim}6{\times}$ higher in Euclidean training. Codes are available at TBA.

FLAGG: Flexible Autoregressive Graph Generation

The Deep Graph Generation's panorama spans two extremes: one-shot and sequential models. The former generates nodes and edges jointly, while the latter samples them autoregressively. Each method performs better in different graph domains depending on size and topology, but neither is applicable to all graph categories. For instance, one-shot methods struggle with generating large graphs, while sequential methods underperform on smaller graphs. A possible way to overcome these limitations is to flexibly combine the two methods in a unique system. In this work, we propose the FLAGG (Flexible Autoregressive Graph Generation) framework, which sequentially generates portions of graphs with one-shot models. FLAGG can apply any one-shot model to make it autoregressive, allowing flexibility in choosing the sequential policy. This policy is specified through a stochastic node removal process, which an Insertion Model learns to reverse. We evaluate FLAGG with the DiGress one-shot model on several data sets of different graph sizes and domains. We show that the approach outperforms both one-shot and autoregressive baselines in terms of sampling quality.