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Ansgar Scherp

Publications and source records attributed to Ansgar Scherp.

At least 19 recordsLinked to original sources

Chimaera: A Mixture-of-Graph-Experts Architecture for Cross-Task and Cross-Dataset Graph Learning

Designing foundation models for graphs is challenging due to the irregular structure of graphs and the different sizes and characteristics of embeddings. Chimaera integrates mixture-of-experts with graph foundation models (GFM). It integrates different GFM architectures, such as graph prompts and linear GNN models. Large language models are used to generate embeddings, and experts can be trained and combined following different strategies, GFMs, embeddings, etc. Furthermore, Chimaera extends existing linear GNNs to support link-level and graph-level tasks in addition to node-level tasks. Empirical analyses are performed on same-task and cross-task experiments with node, link, and graph classification tasks using six benchmark text-attributed graph datasets. The experiments demonstrate the effectiveness of Chimaera and its capabilities for transfer across tasks and datasets. Further insights include the need to use both large and small language models to generate embeddings for the experts, a strong cross-task transferability of simple but effective linear GNNs, and using few samples only to provide strong results.

cs.LG

Are Researchers Being Replaced by Artificial Intelligence?

A Nature survey from 2023 involving 1,600 researchers shows that scientists are ``concerned, as well as excited, by the increasing use of artificial-intelligence tools in research.'' This tension frames our central question: Are researchers being replaced by artificial intelligence? We argue that replacement is already underway-not as disappearance, but as a shift from researcher-as-creator to researcher-as-curator. As AI agents increasingly generate hypotheses, papers, and reviews, humans risk retaining responsibility while losing intellectual ownership. This article examines how AI is reshaping the scientific lifecycle and exposes the deeper danger: not that AI will fail to do science, but that humans may stop truly understanding it.

cs.CY

Do Language Models Encode Semantic Relations? Probing and Sparse Feature Analysis

Understanding whether large language models (LLMs) capture structured meaning requires examining how they represent concept relationships. In this work, we study three models of increasing scale: Pythia-70M, GPT-2, and Llama 3.1 8B, focusing on four semantic relations: synonymy, antonymy, hypernymy, and hyponymy. We combine linear probing with mechanistic interpretability techniques, including sparse autoencoders (SAE) and activation patching, to identify where these relations are encoded and how specific features contribute to their representation. Our results reveal a directional asymmetry in hierarchical relations: hypernymy is encoded redundantly and resists suppression, while hyponymy relies on compact features that are more easily disrupted by ablation. More broadly, relation signals are diffuse but exhibit stable profiles: they peak in the mid-layers and are stronger in post-residual/MLP pathways than in attention. Difficulty is consistent across models (antonymy easiest, synonymy hardest). Probe-level causality is capacity-dependent: on Llama 3.1, SAE-guided patching reliably shifts these signals, whereas on smaller models the shifts are weak or unstable. Our results clarify where and how reliably semantic relations are represented inside LLMs, and provide a reproducible framework for relating sparse features to probe-level causal evidence.

cs.CL

Gumbel-MPNN: Graph Rewiring with Gumbel-Softmax

Graph homophily has been considered an essential property for message-passing neural networks (MPNN) in node classification. Recent findings suggest that performance is more closely tied to the consistency of neighborhood class distributions. We demonstrate that the MPNN performance depends on the number of components of the overall neighborhood distribution within a class. By breaking down the classes into their neighborhood distribution components, we increase measures of neighborhood distribution informativeness but do not observe an improvement in MPNN performance. We propose a Gumbel-Softmax-based rewiring method that reduces deviations in neighborhood distributions. Our results show that our new method enhances neighborhood informativeness, handles long-range dependencies, mitigates oversquashing, and increases the classification performance of the MPNN. The code is available at https://github.com/Bobowner/Gumbel-Softmax-MPNN.

cs.LG

Semantic Source Code Segmentation using Small and Large Language Models

Source code segmentation, dividing code into functionally coherent segments, is crucial for knowledge retrieval and maintenance in software development. While enabling efficient navigation and comprehension of large codebases, manual and syntactic analysis approaches have become impractical as repositories grow, especially for low-resource languages like R and their research domains (e.g., social sciences, psychology).This paper introduces an automated, domain-specific approach for research R code segmentation using Large and Small Language Models (LLMs/SLMs). It presents two novel approaches and a human-annotated dataset, StatCodeSeg. We explore two distinct approaches: line-by-line analysis with context and range-based segment determination. We experiment with LLMs and fine-tuned SLMs. To support the generalizability of our approaches, we also include experiments on Python code from the computer science domain.Our results show that context-based line-by-line analysis is superior over range-based segmentation.Using smaller language models like CodeBERT and an encoder-only version of CodeT5+ are better than their LLM counterparts. Most notably, these two best-performing models did not see R code during pre-training versus the LLMs but were only fine-tuned on 4,130 lines of manually annotated code.

cs.SE

iN2V: Bringing Transductive Node Embeddings to Inductive Graphs

Shallow node embeddings like node2vec (N2V) can be used for nodes without features or to supplement existing features with structure-based information. Embedding methods like N2V are limited in their application on new nodes, which restricts them to the transductive setting where the entire graph, including the test nodes, is available during training. We propose inductive node2vec (iN2V), which combines a post-hoc procedure to compute embeddings for nodes unseen during training and modifications to the original N2V training procedure to prepare the embeddings for this post-hoc procedure. We conduct experiments on several benchmark datasets and demonstrate that iN2V is an effective approach to bringing transductive embeddings to an inductive setting. Using iN2V embeddings improves node classification by 1 point on average, with up to 6 points of improvement depending on the dataset and the number of unseen nodes. Our iN2V is a plug-in approach to create new or enrich existing embeddings. It can also be combined with other embedding methods, making it a versatile approach for inductive node representation learning. Code to reproduce the results is available at https://github.com/Foisunt/iN2V .

cs.LG

CRAWLDoc: A Dataset for Robust Ranking of Bibliographic Documents

Publication databases rely on accurate metadata extraction from diverse web sources, yet variations in web layouts and data formats present challenges for metadata providers. This paper introduces CRAWLDoc, a new method for contextual ranking of linked web documents. Starting with a publication's URL, such as a digital object identifier, CRAWLDoc retrieves the landing page and all linked web resources, including PDFs, ORCID profiles, and supplementary materials. It embeds these resources, along with anchor texts and the URLs, into a unified representation. For evaluating CRAWLDoc, we have created a new, manually labeled dataset of 600 publications from six top publishers in computer science. Our method CRAWLDoc demonstrates a robust and layout-independent ranking of relevant documents across publishers and data formats. It lays the foundation for improved metadata extraction from web documents with various layouts and formats. Our source code and dataset can be accessed at https://github.com/FKarl/CRAWLDoc.

cs.CL

GLaMoR: Consistency Checking of OWL Ontologies using Graph Language Models

Semantic reasoning aims to infer new knowledge from existing knowledge, with OWL ontologies serving as a standardized framework for organizing information. A key challenge in semantic reasoning is verifying ontology consistency. However, state-of-the-art reasoners are computationally expensive, and their efficiency decreases as ontology sizes grow. While classical machine learning models have been explored for consistency checking, they struggle to capture complex relationships within ontologies. Large language models (LLMs) have shown promising results for simple reasoning tasks but perform poorly on structured reasoning. The recently introduced Graph Language Model (GLM) offers a way to simultaneously process graph-structured data and text. This paper proposes GLaMoR (Graph Language Model for Reasoning), a reasoning pipeline that transforms OWL ontologies into graph-structured data and adapts the GLM architecture for consistency checking. We evaluate GLaMoR on ontologies from the NCBO BioPortal repository, converting them into triples suitable for model input. Our results show that the GLM outperforms all baseline models, achieving $95\%$ accuracy while being 20 times faster than classical reasoners. The Code is accessible under: https://github.com/JustinMuecke/GLaMoR

cs.AI

Active Few-Shot Learning for Vertex Classification Starting from an Unlabeled Dataset

Despite the ample availability of graph data, obtaining vertex labels is a tedious and expensive task. Therefore, it is desirable to learn from a few labeled vertices only. Existing few-shot learners assume a class oracle, which provides labeled vertices for a desired class. However, such an oracle is not available in a real-world setting, i.e., when drawing a vertex for labeling it is unknown to which class the vertex belongs. Few-shot learners are often combined with prototypical networks, while classical semi-supervised vertex classification uses discriminative models, e.g., Graph Convolutional Networks (GCN). In this paper, we train our models by iteratively prompting a human annotator with vertices to annotate. We perform three experiments where we continually relax our assumptions. First, we assume a class oracle, i.e., the human annotator is provided with an equal number of vertices to label for each class. We denote this as "Balanced Sampling''. In the subsequent experiment, "Unbalanced Sampling,'' we replace the class oracle with $k$-medoids clustering and draw vertices to label from the clusters. In the last experiment, the "Unknown Number of Classes,'' we no longer assumed we knew the number and distribution of classes. Our results show that prototypical models outperform discriminative models in all experiments when fewer than $20$ samples per class are available. While dropping the assumption of the class oracle for the "Unbalanced Sampling'' experiment reduces the performance of the GCN by $9\%$, the prototypical network loses only $1\%$ on average. For the "Unknown Number of Classes'' experiment, the average performance for both models decreased further by $1\%$. Source code: https://github.com/Ximsa/2023-felix-ma

cs.LG

A Transformer-based Autoregressive Decoder Architecture for Hierarchical Text Classification

Recent approaches in hierarchical text classification (HTC) rely on the capabilities of a pre-trained transformer model and exploit the label semantics and a graph encoder for the label hierarchy. In this paper, we introduce an effective hierarchical text classifier RADAr (Transformer-based Autoregressive Decoder Architecture) that is based only on an off-the-shelf RoBERTa transformer to process the input and a custom autoregressive decoder with two decoder layers for generating the classification output. Thus, unlike existing approaches for HTC, the encoder of RADAr has no explicit encoding of the label hierarchy and the decoder solely relies on the label sequences of the samples observed during training. We demonstrate on three benchmark datasets that RADAr achieves results competitive to the state of the art with less training and inference time. Our model consistently performs better when organizing the label sequences from children to parents versus the inverse, as done in existing HTC approaches. Our experiments show that neither the label semantics nor an explicit graph encoder for the hierarchy is needed. This has strong practical implications for HTC as the architecture has fewer requirements and provides a speed-up by a factor of 2 at inference time. Moreover, training a separate decoder from scratch in conjunction with fine-tuning the encoder allows future researchers and practitioners to exchange the encoder part as new models arise. The source code is available at https://github.com/yousef-younes/RADAr.

cs.LG

Semantic Web: Past, Present, and Future (with Machine Learning on Knowledge Graphs and Language Models on Knowledge Graphs)

Ever since the vision was formulated, the Semantic Web has inspired many generations of innovations. Semantic technologies have been used to share vast amounts of information on the Web, enhance them with semantics to give them meaning, and enable inference and reasoning on them. Throughout the years, semantic technologies, and in particular knowledge graphs, have been used in search engines, data integration, enterprise settings, and machine learning. In this paper, we recap the classical concepts and foundations of the Semantic Web as well as modern and recent concepts and applications, building upon these foundations. The classical topics we cover include knowledge representation, creating and validating knowledge on the Web, reasoning and linking, and distributed querying. We enhance this classical view of the so-called ``Semantic Web Layer Cake'' with an update of recent concepts. These include provenance, security and trust, as well as a discussion of practical impacts from industry-led contributions. We also provide an overiew of shallow and deep machine learning methods for knowledge graphs and discuss the relation of language models and knowledge graphs. We conclude with an outlook on the future directions of the Semantic Web.

cs.AI

Edge-Splitting MLP: Node Classification on Homophilic and Heterophilic Graphs without Message Passing

Message Passing Neural Networks (MPNNs) have demonstrated remarkable success in node classification on homophilic graphs. It has been shown that they do not solely rely on homophily but on neighborhood distributions of nodes, i.e., consistency of the neighborhood label distribution within the same class. MLP-based models do not use message passing, \eg Graph-MLP incorporates the neighborhood in a separate loss function. These models are faster and more robust to edge noise. Graph-MLP maps adjacent nodes closer in the embedding space but is unaware of the neighborhood pattern of the labels, i.e., relies solely on homophily. Edge Splitting GNN (ES-GNN) is a model specialized for heterophilic graphs and splits the edges into task-relevant and task-irrelevant, respectively. To mitigate the limitations of Graph-MLP on heterophilic graphs, we propose ES-MLP that combines Graph-MLP with an edge-splitting mechanism from ES-GNN. It incorporates the edge splitting into the loss of Graph-MLP to learn two separate adjacency matrices based on relevant and irrelevant feature pairs. Our experiments on seven datasets with six baselines show that ES-MLP is on par with homophilic and heterophilic models on all datasets without using edges during inference. We show that ES-MLP is robust to multiple types of edge noise during inference and that its inference time is two to five times faster than that of commonly used MPNNs. The source code is available at https://github.com/MatthiasKohn/ES-MLP.

cs.LG

Efficient Continual Learning for Small Language Models with a Discrete Key-Value Bottleneck

Continual learning remains a challenge across various natural language processing (NLP) tasks, as models updated with new training data often risk catastrophic forgetting of previously acquired knowledge. We introduce a discrete key-value bottleneck (DKVB) for encoder-only language models, enabling efficient continual learning through localized updates. Inspired by a discrete key-value bottleneck in vision, we consider new and NLP-specific challenges. We compare different bottleneck architectures for NLP and introduce a new, task-independent initialization technique for the discrete keys. We evaluate our DKVB for NLP in four continual learning scenarios and show that it alleviates catastrophic forgetting. Our experiments demonstrate that the proposed approach achieves competitive performance compared to popular continual learning methods while incurring lower computational costs. Furthermore, we show that DKVB remains effective even in challenging single-head continual learning scenarios where no task ID is provided.

cs.CL

LossVal: Efficient Data Valuation for Neural Networks

Assessing the importance of individual training samples is a key challenge in machine learning. Traditional approaches retrain models with and without specific samples, which is computationally expensive and ignores dependencies between data points. We introduce LossVal, an efficient data valuation method that computes importance scores during neural network training by embedding a self-weighting mechanism into loss functions like cross-entropy and mean squared error. LossVal reduces computational costs, making it suitable for large datasets and practical applications. Experiments on classification and regression tasks across multiple datasets show that LossVal effectively identifies noisy samples and is able to distinguish helpful from harmful samples. We examine the gradient calculation of LossVal to highlight its advantages. The source code is available at: https://github.com/twibiral/LossVal

cs.LG

Isotropy Matters: Soft-ZCA Whitening of Embeddings for Semantic Code Search

Low isotropy in an embedding space impairs performance on tasks involving semantic inference. Our study investigates the impact of isotropy on semantic code search performance and explores post-processing techniques to mitigate this issue. We analyze various code language models, examine isotropy in their embedding spaces, and its influence on search effectiveness. We propose a modified ZCA whitening technique to control isotropy levels in embeddings. Our results demonstrate that Soft-ZCA whitening improves the performance of pre-trained code language models and can complement contrastive fine-tuning.

cs.CL

F -- A Model of Events based on the Foundational Ontology DOLCE+DnS Ultralite

The lack of a formal model of events hinders interoperability in distributed event-based systems. In this paper, we present a formal model of events, called Event-Model-F. The model is based on the foundational ontology DOLCE+DnS Ultralite (DUL) and provides comprehensive support to represent time and space, objects and persons, as well as mereological, causal, and correlative relationships between events. In addition, the Event-Model-F provides a flexible means for event composition, modeling event causality and event correlation, and representing different interpretations of the same event. The Event-Model-F is developed following the pattern-oriented approach of DUL, is modularized in different ontologies, and can be easily extended by domain specific ontologies.

cs.AI

Your Extreme Multi-label Classifier is Secretly a Hierarchical Text Classifier for Free

Assigning a set of labels to a given text is a classification problem with many real-world applications, such as recommender systems. Two separate research streams address this issue. Hierarchical Text Classification (HTC) focuses on datasets with label pools of hundreds of entries, accompanied by a semantic label hierarchy. In contrast, eXtreme Multi-Label Text Classification (XML) considers very large sets of labels with up to millions of entries but without an explicit hierarchy. In XML methods, it is common to construct an artificial hierarchy in order to deal with the large label space before or during the training process. Here, we investigate how state-of-the-art HTC models perform when trained and tested on XML datasets and vice versa using three benchmark datasets from each of the two streams. Our results demonstrate that XML models, with their internally constructed hierarchy, are very effective HTC models. HTC models, on the other hand, are not equipped to handle the sheer label set size of XML datasets and achieve poor transfer results. We further argue that for a fair comparison in HTC and XML, more than one metric like F1 should be used but complemented with P@k and R-Precision.

cs.CL

Multi-View Structural Graph Summaries

A structural graph summary is a small graph representation that preserves structural information necessary for a given task. The summary is used instead of the original graph to complete the task faster. We introduce multi-view structural graph summaries and propose an algorithm for merging two summaries. We conduct a theoretical analysis of our algorithm. We run experiments on three datasets, contributing two new ones. The datasets are of different domains (web graph, source code, and news) and sizes; the interpretation of multi-view depends on the domain and are pay-level domains on the web, control vs.\@ data flow of the code, and news broadcasters. We experiment with three graph summary models: attribute collection, class collection, and their combination. We observe that merging two structural summaries has an upper bound of quadratic complexity; but under reasonable assumptions, it has linear-time worst-case complexity. The running time of merging has a strong linear correlation with the number of edges in the two summaries. Therefore, the experiments support the assumption that the upper bound of quadratic complexity is not tight and that linear complexity is possible. Furthermore, our experiments show that always merging the two smallest summaries by the number of edges is the most efficient strategy for merging multiple structural summaries.

cs.DS