Topology Matters: A Cautionary Case Study of Graph SSL on Neuro-Inspired Benchmarks

Understanding how local interactions give rise to global brain organization requires models that can represent information across multiple scales. We introduce a hierarchical self-supervised learning (SSL) framework that jointly learns node-, edge-, and graph-level embeddings, inspired by multimodal neuroimaging. We construct a controllable synthetic benchmark mimicking the topological properties of connectomes. Our four-stage evaluation protocol reveals a critical failure: the invariance-based SSL model is fundamentally misaligned with the benchmark's topological properties and is catastrophically outperformed by classical, topology-aware heuristics. Ablations confirm an objective mismatch: SSL objectives designed to be invariant to topological perturbations learn to ignore the very community structure that classical methods exploit. Our results expose a fundamental pitfall in applying generic graph SSL to connectome-like data. We present this framework as a cautionary case study, highlighting the need for new, topology-aware SSL objectives for neuro-AI research that explicitly reward the preservation of structure (e.g., modularity or motifs).

Enhancing Imbalanced Node Classification via Curriculum-Guided Feature Learning and Three-Stage Attention Network

Imbalanced node classification in graph neural networks (GNNs) happens when some labels are much more common than others, which causes the model to learn unfairly and perform badly on the less common classes. To solve this problem, we propose a Curriculum-Guided Feature Learning and Three-Stage Attention Network (CL3AN-GNN), a learning network that uses a three-step attention system (Engage, Enact, Embed) similar to how humans learn. The model begins by engaging with structurally simpler features, defined as (1) local neighbourhood patterns (1-hop), (2) low-degree node attributes, and (3) class-separable node pairs identified via initial graph convolutional networks and graph attention networks (GCN and GAT) embeddings. This foundation enables stable early learning despite label skew. The Enact stage then addresses complicated aspects: (1) connections that require multiple steps, (2) edges that connect different types of nodes, and (3) nodes at the edges of minority classes by using adjustable attention weights. Finally, Embed consolidates these features via iterative message passing and curriculum-aligned loss weighting. We evaluate CL3AN-GNN on eight Open Graph Benchmark datasets spanning social, biological, and citation networks. Experiments show consistent improvements across all datasets in accuracy, F1-score, and AUC over recent state-of-the-art methods. The model's step-by-step method works well with different types of graph datasets, showing quicker results than training everything at once, better performance on new, imbalanced graphs, and clear explanations of each step using gradient stability and attention correlation learning curves. This work provides both a theoretically grounded framework for curriculum learning in GNNs and practical evidence of its effectiveness against imbalances, validated through metrics, convergence speeds, and generalisation tests.

LEC-KG: An LLM-Embedding Collaborative Framework for Domain-Specific Knowledge Graph Construction -- A Case Study on SDGs

Constructing domain-specific knowledge graphs from unstructured text remains challenging due to heterogeneous entity mentions, long-tail relation distributions, and the absence of standardized schemas. We present LEC-KG, a bidirectional collaborative framework that integrates the semantic understanding of Large Language Models (LLMs) with the structural reasoning of Knowledge Graph Embeddings (KGE). Our approach features three key components: (1) hierarchical coarse-to-fine relation extraction that mitigates long-tail bias, (2) evidence-guided Chain-of-Thought feedback that grounds structural suggestions in source text, and (3) semantic initialization that enables structural validation for unseen entities. The two modules enhance each other iteratively-KGE provides structure-aware feedback to refine LLM extractions, while validated triples progressively improve KGE representations. We evaluate LEC-KG on Chinese Sustainable Development Goal (SDG) reports, demonstrating substantial improvements over LLM baselines, particularly on low-frequency relations. Through iterative refinement, our framework reliably transforms unstructured policy text into validated knowledge graph triples.

<SOG_k>: One LLM Token for Explicit Graph Structural Understanding

Large language models show great potential in unstructured data understanding, but still face significant challenges with graphs due to their structural hallucination. Existing approaches mainly either verbalize graphs into natural language, which leads to excessive token consumption and scattered attention, or transform graphs into trainable continuous embeddings (i.e., soft prompt), but exhibit severe misalignment with original text tokens. To solve this problem, we propose to incorporate one special token <SOG_k> to fully represent the Structure Of Graph within a unified token space, facilitating explicit topology input and structural information sharing. Specifically, we propose a topology-aware structural tokenizer that maps each graph topology into a highly selective single token. Afterwards, we construct a set of hybrid structure Question-Answering corpora to align new structural tokens with existing text tokens. With this approach, <SOG_k> empowers LLMs to understand, generate, and reason in a concise and accurate manner. Extensive experiments on five graph-level benchmarks demonstrate the superiority of our method, achieving a performance improvement of 9.9% to 41.4% compared to the baselines while exhibiting interpretability and consistency. Furthermore, our method provides a flexible extension to node-level tasks, enabling both global and local structural understanding. The codebase is publicly available at https://github.com/Jingyao-Wu/SOG.

MGKAN: Predicting Asymmetric Drug-Drug Interactions via a Multimodal Graph Kolmogorov-Arnold Network

Predicting drug-drug interactions (DDIs) is essential for safe pharmacological treatments. Previous graph neural network (GNN) models leverage molecular structures and interaction networks but mostly rely on linear aggregation and symmetric assumptions, limiting their ability to capture nonlinear and heterogeneous patterns. We propose MGKAN, a Graph Kolmogorov-Arnold Network that introduces learnable basis functions into asymmetric DDI prediction. MGKAN replaces conventional MLP transformations with KAN-driven basis functions, enabling more expressive and nonlinear modeling of drug relationships. To capture pharmacological dependencies, MGKAN integrates three network views-an asymmetric DDI network, a co-interaction network, and a biochemical similarity network-with role-specific embeddings to preserve directional semantics. A fusion module combines linear attention and nonlinear transformation to enhance representational capacity. On two benchmark datasets, MGKAN outperforms seven state-of-the-art baselines. Ablation studies and case studies confirm its predictive accuracy and effectiveness in modeling directional drug effects.

Ontology-to-tools compilation for executable semantic constraint enforcement in LLM agents

We introduce ontology-to-tools compilation as a proof-of-principle mechanism for coupling large language models (LLMs) with formal domain knowledge. Within The World Avatar (TWA), ontological specifications are compiled into executable tool interfaces that LLM-based agents must use to create and modify knowledge graph instances, enforcing semantic constraints during generation rather than through post-hoc validation. Extending TWA's semantic agent composition framework, the Model Context Protocol (MCP) and associated agents are integral components of the knowledge graph ecosystem, enabling structured interaction between generative models, symbolic constraints, and external resources. An agent-based workflow translates ontologies into ontology-aware tools and iteratively applies them to extract, validate, and repair structured knowledge from unstructured scientific text. Using metal-organic polyhedra synthesis literature as an illustrative case, we show how executable ontological semantics can guide LLM behaviour and reduce manual schema and prompt engineering, establishing a general paradigm for embedding formal knowledge into generative systems.

Plain Transformers are Surprisingly Powerful Link Predictors

Link prediction is a core challenge in graph machine learning, demanding models that capture rich and complex topological dependencies. While Graph Neural Networks (GNNs) are the standard solution, state-of-the-art pipelines often rely on explicit structural heuristics or memory-intensive node embeddings -- approaches that struggle to generalize or scale to massive graphs. Emerging Graph Transformers (GTs) offer a potential alternative but often incur significant overhead due to complex structural encodings, hindering their applications to large-scale link prediction. We challenge these sophisticated paradigms with PENCIL, an encoder-only plain Transformer that replaces hand-crafted priors with attention over sampled local subgraphs, retaining the scalability and hardware efficiency of standard Transformers. Through experimental and theoretical analysis, we show that PENCIL extracts richer structural signals than GNNs, implicitly generalizing a broad class of heuristics and subgraph-based expressivity. Empirically, PENCIL outperforms heuristic-informed GNNs and is far more parameter-efficient than ID-embedding--based alternatives, while remaining competitive across diverse benchmarks -- even without node features. Our results challenge the prevailing reliance on complex engineering techniques, demonstrating that simple design choices are potentially sufficient to achieve the same capabilities.

LIEREx: Language-Image Embeddings for Robotic Exploration

Semantic maps allow a robot to reason about its surroundings to fulfill tasks such as navigating known environments, finding specific objects, and exploring unmapped areas. Traditional mapping approaches provide accurate geometric representations but are often constrained by pre-designed symbolic vocabularies. The reliance on fixed object classes makes it impractical to handle out-of-distribution knowledge not defined at design time. Recent advances in Vision-Language Foundation Models, such as CLIP, enable open-set mapping, where objects are encoded as high-dimensional embeddings rather than fixed labels. In LIEREx, we integrate these VLFMs with established 3D Semantic Scene Graphs to enable target-directed exploration by an autonomous agent in partially unknown environments.

Entropy-Guided Dynamic Tokens for Graph-LLM Alignment in Molecular Understanding

Molecular understanding is central to advancing areas such as scientific discovery, yet Large Language Models (LLMs) struggle to understand molecular graphs effectively. Existing graph-LLM bridges often adapt the Q-Former-style connector with fixed-length static tokens, which is originally designed for vision tasks. These designs overlook stereochemistry and substructural context and typically require costly LLM-backbone fine-tuning, limiting efficiency and generalization. We introduce EDT-Former, an Entropy-guided Dynamic Token Transformer that generates tokens aligned with informative molecular patches, thereby preserving both local and global structural features for molecular graph understanding. Beyond prior approaches, EDT-Former enables alignment between frozen graph encoders and LLMs without tuning the LLM backbone (excluding the embedding layer), resulting in computationally efficient finetuning, and achieves stateof-the-art results on MoleculeQA, Molecule-oriented Mol-Instructions, and property prediction benchmarks (TDC, MoleculeNet), underscoring its effectiveness for scalable and generalizable multimodal molecular understanding

DFKI-Speech System for WildSpoof Challenge: A robust framework for SASV In-the-Wild

This paper presents the DFKI-Speech system developed for the WildSpoof Challenge under the Spoofing aware Automatic Speaker Verification (SASV) track. We propose a robust SASV framework in which a spoofing detector and a speaker verification (SV) network operate in tandem. The spoofing detector employs a self-supervised speech embedding extractor as the frontend, combined with a state-of-the-art graph neural network backend. In addition, a top-3 layer based mixture-of-experts (MoE) is used to fuse high-level and low-level features for effective spoofed utterance detection. For speaker verification, we adapt a low-complexity convolutional neural network that fuses 2D and 1D features at multiple scales, trained with the SphereFace loss. Additionally, contrastive circle loss is applied to adaptively weight positive and negative pairs within each training batch, enabling the network to better distinguish between hard and easy sample pairs. Finally, fixed imposter cohort based AS Norm score normalization and model ensembling are used to further enhance the discriminative capability of the speaker verification system.