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Steffen Staab

Publications and source records attributed to Steffen Staab.

At least 19 recordsLinked to original sources

Evolutionary Soups: Evolving Mixture-of-Experts for Multi-Objective LLM Alignment

Large language models are increasingly required to generate responses that satisfy multiple competing objectives. Since optimal trade-offs depend on both user preferences and input prompts, controllable multi-objective generation must dynamically adapt models at inference time without retraining. To address this, we propose Evolutionary Soups, a mixture-of-experts framework for fine-grained generation control, with gating networks trained via an evolutionary algorithm. The per-layer gating networks dynamically produce expert-merging coefficients from hidden-state representations, while the evolutionary algorithm incorporates greedy hypervolume contribution for effective evolution of these gating networks, achieving consistent improvements on large and noisy training datasets and broader coverage of the non-convex Pareto front. Experiments across three tasks demonstrate the effectiveness of Evolutionary Soups over baselines: it achieves the best hypervolume, linear utility, and Tchebyshev utility (~20% improvement) among controllable methods on all tasks.

cs.CL

Causal Explanations for Stratified Datalog

Rule-based reasoning with exceptions requires causal explanations that account for both present and absent facts. For positive Datalog, monotonicity allows minimal supports to determine deletion causality. Stratified negation removes that property because inserting or deleting a fact may create or destroy an answer. We study actual causes, responsibility, and robustness for safe and stratified Datalog under perfect-model semantics and interventions over a finite set of mutable extensional facts. We prove that minimal supports and inclusion-minimal outcome-changing interventions do not determine causality, while robustness radius one may coexist with unbounded minimum contingencies. Our main result characterizes the minimum contingency size of a candidate fact by compatible prime implicants for the observed and opposite outcomes. The characterization conservatively recovers support-based causality for positive Datalog and yields path--cut characterizations for blocked recursive reachability. For fixed nonrecursive stratified programs, we establish data-complexity NP-completeness for cause recognition, robustness, and responsibility, and coNP-completeness for intervention-response equivalence between two such programs.

cs.DB

FITTER: Vocabulary-Agnostic Cross-Domain Inference on Temporal Knowledge Graphs

Temporal knowledge graphs are central to many uses of the Semantic Web, but existing completion methods assume the entities, relation names, and timestamps to be reasoned about are already known at training time, restricting each model to a single graph and vocabulary. We propose FITTER, the first fully-inductive structural model for temporal knowledge graph link prediction that supports cross-domain transfer: the inference graph may contain entirely unseen entities, relation names, and timestamps drawn from a different domain. FITTER represents each predicate by its interaction patterns with others and time through encodings of relative rather than absolute ordering; message-passing fuses local and global temporal context to produce vocabulary-agnostic embeddings. We prove the temporal encoding is time-shift invariant and evaluate FITTER on cross-domain, cross-graph transfer over six temporal knowledge graph benchmarks of diverse domains, granularities, and time spans. FITTER consistently outperforms inductive baselines without retraining, indicating that vocabulary-agnostic structural learning is a viable foundation for inference over the heterogeneous knowledge graphs of the Semantic Web.

cs.AI

Conformalized Large Language Models under Configuration Shift

Conformal prediction (CP) is a distribution-free framework for uncertainty quantification that has recently been adapted to large language models (LLMs), providing prediction sets with finite-sample coverage guarantees under exchangeability. Yet for LLMs, nonconformity scores are often induced by an inference pipeline, not just a fixed model, making them depend not only on the data distribution but also on configurable factors such as the prompt template, decoding parameters, and deployment setting. Since such configurations are routinely modified in practice but rarely treated as a source of shift, their impact on CP validity remains poorly understood. We call this \emph{configuration shift} and study it systematically along three axes: prompt template, decoding temperature, and weight quantization. In a broad empirical study spanning $9$ LLMs, $4$ datasets, and $4$ nonconformity scores, we find that configuration shift consistently erodes CP validity, often driving empirical coverage below the target. By contrast, efficiency is largely preserved: valid prediction sets remain close in size to the i.i.d. baseline. We derive coverage lower bounds that attribute this loss to a discrepancy between calibration and test score distributions, and use their finite-sample plug-in versions as empirical diagnostics of shift severity. We further show that these findings lead to practical mitigations: bound-inspired recalibration is effective with limited test examples, while fragility-aware calibration ensembling recovers much of the lost coverage without test data.

cs.LG

STEREODISCO: Discovering Stereotypicality in LLMs

LLMs encode, convey, and perpetuate stereotypes. Prior computational research focuses on a small set of semantic axes investigated in social psychology, and operates on word embeddings produced by language models, leaving open which other semantic axes carry stereotypical associations in LLMs and how LLMs internally represent such axes. We introduce STEREODISCO, a framework that adapts the semantic differential method (Osgood et al., 1957) to the systematic study of stereotypes in LLM internal representations. STEREODISCO constructs approx. 2,000 candidate semantic axes from WordNet antonym synsets, recovers each as a geometric axis in the LLM's activation space via probing, and identifies stereotypical axes via a statistical test over concept projections. As a case study, we apply STEREODISCO to social group stereotypes with LLAMA-3-8B-INSTRUCT and MISTRAL-7B-INSTRUCT. We find that the two LLMs agree with each other on social group ratings more than with humans, suggesting that LLM-encoded stereotype content diverges from that documented in social psychology. We also discover stereotypical axes not investigated in prior work -- including humble vs. proud, narrow-minded vs. broad-minded, and cowardly vs. brave, which human annotators independently confirm.

cs.AI

An Ontology for Machine Learning Interatomic Potentials

Machine learning interatomic potentials (MLIPs) approximate quantum-mechanical energies and forces---conventionally computed by density functional theory (DFT) or wave-function methods---at a fraction of the cost. The field encompasses a growing ecosystem of algorithms, training datasets, hyperparameters, and target materials, yet the metadata needed to systematically compare, reproduce, and build upon MLIP studies remains scattered across papers, scripts, and ad-hoc file formats. We present the MLIPs ontology, an OWL 2 DL ontology that captures the concepts needed to describe MLIP methods, their hyperparameters, training datasets with DFT provenance, and published benchmarks. The ontology is organized into three modules---Method, Training Data, and Benchmark---and connects existing ontologies in materials science (MDO, CMSO/ASMO) and machine learning (ML-Schema), complementing dataset-side schemas such as Croissant. It declares 27 formal axioms enforcing data completeness and consistency, including property chains that link trained models to their methods and training data. We demonstrate the ontology through a running example based on Moment Tensor Potentials and evaluate it through competency-question execution on a 20-paper seeded knowledge graph, OWL reasoning, and comparison with existing ontologies.

cs.AI

Causality and Minimal Supports in Recursive Datalog

Explaining an inferred fact under rule evaluation can require identifying the inclusion-minimal input sets that suffice for the inference and the deletions that make the fact disappear. For a fixed union of conjunctive queries, every minimal support is bounded by the query body. For recursive rules, the same answer may depend on large supports, and the number of minimal supports may be exponential in the input. We study the gap through deletion-based explanation, using inclusion-minimal endogenous input facts that entail the atom together with fixed background facts. We organize these supports as a hypergraph and prove that it determines actual causes, counterfactual causes, responsibility, and deletion robustness. The resulting view separates nonrecursive queries from recursive Datalog at the level of minimal input explanations. For positive-length reachability, minimal supports are exactly simple directed paths, and deletion robustness is the minimum directed edge cut. We also prove invariance under fixed-goal equivalent positive Datalog programs and an NP-hardness calibration for the robustness threshold problem.

cs.DB

GRATE: Temporal Extensions for Inductive KG Foundation Models via Gated Rotary Attention

Knowledge graph foundation models such as Ultra and Trix achieve strong inductive transfer by learning relation-graph representations that generalise to unseen entities and relations. Extending this transferability to temporal knowledge graphs (TKGs) remains challenging: existing temporal models tie their parameters to dataset-specific entities, relations, or timestamps and are not designed to transfer to TKGs with disjoint vocabularies. We propose GRATE (Gated Rotary Attention for Temporal Encoding), an entity-side message function that adds no learnable parameters and encodes time through relative time differences by rotating each edge message according to its time gap to the query and applying a query-conditioned gate to select temporally relevant signals. GRATE integrates into NBFNet-style KG foundation models while preserving structural transferability. Existing TKG benchmarks evaluate within shared train/test vocabularies and cannot directly test cross-dataset temporal transfer; we therefore construct GDELTIndT and WIKIIndT, inductive transfer benchmark suites with disjoint entities, relations, and timestamps spanning both interpolation and extrapolation. Across these benchmarks and held-out forecasting datasets, a single jointly pretrained GRATE checkpoint improves over the static base model in most settings.

cs.AI

GenAU: Language-Grounded Industrial Anomaly Understanding with Vision-Language Models

Industrial inspection requires more than binary anomaly detection: a practical system should determine whether an anomaly exists, localize the defective region, identify the defect type, and provide interpretable visual evidence. Existing CLIP-based methods detect and localize anomalies well but offer limited language-level defect understanding, while instruction-tuned vision-language models can describe defects but do not natively produce pixel-level masks. We introduce GenAU, a Generalist vision-language framework for industrial Anomaly Understanding that unifies image-level detection, pixel-level segmentation, multi-type anomaly detection, and defect analysis in a single instruction-following model. GenAU augments a vision-language model with two segmentation tokens, [SEG_defect] and [SEG_normal], whose hidden states act as language-grounded queries over multi-scale visual features for pixel-level localization; the image-level score fuses this map with the decoder's textual normal/defect decision, while the language decoder produces structured defect-aware responses. Trained with a joint language-modeling and segmentation objective, GenAU covers all four tasks within one architecture and recipe, adding zero-shot multi-type detection and language-grounded defect analysis at a quantified cost to detection and segmentation. Across cross-dataset benchmarks, GenAU attains the strongest image-level detection among CLIP-based zero-shot methods on VisA and Real-IAD, with segmentation approaching but not surpassing specialized CLIP baselines.

cs.CV

On the Semantics of Generative SPARQL

We extend SPARQL with a generative query construct, called \tx{GenOp}, whose evaluation calls a language model and produces typed solution mappings. We define the semantics of the GenOp in the query in a way that maintains the fixed-dataset assumption, on which formal semantics of SPARQL build, and extend solution mappings with values generated by the language model. We formalize the semantics of the extended language over these mappings using a compatibility relation that generalizes equality and supports similarity-based matching between RDF terms and generated values. We analyze the semantic consequences of generative query patterns, focusing on mapping-level recursion induced by the reuse of generated bindings. Under deterministic bounded generation and finite candidate coverage assumptions, we characterize acyclic and stratified fragments with fixpoint semantics, establish algebraic equivalence and semantics-preserving rewrite rules, and provide an executable evaluation method; and we show that data and combined complexity coincide with those of standard SPARQL.

cs.DB

Half a Link can Be Enough to Predict a Whole Link: Understanding Generalization in Knowledge Graph Foundation Models

Knowledge graph (KG) foundation models (KGFMs) are zero-shot generalizers: trained once, they can predict links on unseen graphs without retraining. However, understanding when and how they can robustly generalize across KGs is still an open question. In this paper, we shed some light on their generalization mechanisms highlighting how their performance on unseen KGs is not uniform when it comes to partially seen links, which we call half-links. In fact, we show that to predict a test triple $(h,r,t)$ it might suffice in practice to have observed the half-link $(h,r)$ or $(r,t)$ in the inference graph. This yields a taxonomy of four scenarios when combinations of these half-links are observed or not. In a rigorous stratified analysis over these scenarios, we reveal that SoTA KGFMs use seen half links for predictions, while unseen half-links pose different challenges. As such, our finer-grained taxonomy can be a diagnostic protocol for robust KGFM generalization and highlights where novel KGFMs can improve.

cs.LG

Transforming Shape Schemas with Composable Property-Graph Queries (Extended Version)

Property graphs may be constrained by schemas that inform both query engines and human users about the shape of valid data, enforcing a contract between data provider and consumer. Composable property-graph queries transform input graphs into output graphs. Then, the question arises of which schema can be expected after one (or several) transformation steps. We investigate how schema constraints can be inferred given an input schema and a transforming query. Specifically, we propose a reasoning procedure that, given an input schema in ProGS and a query in G-CORE infers an output schema. Since graph updates will happen frequently, our inference procedure does not rely on graph instances, such that the computed output schema applies to all graphs originating from any input graph complying with the input schema. Related work has addressed this problem for SPARQL CONSTRUCT queries, encoding it in Description Logics (DLs) so that the output schema is entailed by axioms inferred from input schema and queries. Property graphs and their queries, however, complicate the matter, as property graphs feature label and property annotations as well as first-class edges. Thus, reification has to be used in one way or another, though available DLs lack the means to encode such features directly. We approach this novel challenge via a family of mappings for i) property graphs reified in RDF, aligned with ii) a mapping from ProGS to SHACL and iii) a mapping from G-CORE to SPARQL CONSTRUCT queries. In this manner, schema inference for property graphs becomes manageable, as we break apart the problem through the extra mapping layer and utilize efficient DL reasoners. We develop the metatheory regarding the soundness of inferred schema constraints and the semantic equivalence of mapped schemas and queries.

cs.DB

Compositional Boundaries for Density Fusion

Distributed uncertainty-management systems often combine local probabilistic models along aggregation trees chosen by communication, privacy, or scheduling constraints. The final density should depend on the weighted sources, not on the particular order in which intermediate nodes combine them. We study this requirement as an algebraic compositionality problem for binary fusion of weighted probability densities. The central question is when a local fusion rule can be executed hierarchically while remaining order-invariant. We establish a compositional boundary for local segment-valued fusion rules. Within the class of continuous binary rules with additive output weights and weight-only coefficients, order-invariant hierarchical execution characterizes normalized weighted linear pooling; norm-induced segment balancing realizes the corresponding coefficient. Smooth endpoint-to-candidate $f$-divergence balancing has a different local geometry: its quadratic expansion induces square-root effective weights, showing why pairwise solvability alone is insufficient for schedule-independent fusion. We show that this obstruction is local to endpoint-to-candidate binary balancing, whereas global divergence barycenters retain additive-weight local limits. Finally, Gaussian mixtures show how the same issue appears in finite model classes: exact fusion is compositional, whereas stepwise compression is compositional only under a congruence condition on unnormalized component measures. These results distinguish exact schedule-independent fusion from global aggregation objectives and local approximation heuristics.

cs.IT

SCAIR: Schema-Conditioned Agentic Iterative Reasoning for Enterprise Knowledge Graphs

Knowledge Graph-based Retrieval-Augmented Generation (KG-RAG) enables natural language interaction with structured enterprise knowledge, yet existing agentic approaches that perform well on public benchmarks often fail to generalize to real-world enterprise Knowledge Graphs (KGs), which are dense, schema-driven, and operationally constrained. To address these limitations, we propose SCAIR (Schema-Conditioned Agentic Iterative Reasoning), a training-free framework that integrates structured planning with controlled iterative reasoning by injecting schema-conditioned structural priors and enforcing schema-aware traversal during multi-hop reasoning. Experiments on an enterprise-oriented benchmark constructed from a real-world Configuration Management DataBase (CMDB) demonstrate that SCAIR substantially improves performance over existing KG-RAG methods. Crucially, our study highlights that reliable enterprise graph reasoning cannot rely on generic agentic designs; instead, it must explicitly incorporate the target domain's structural and operational constraints into the reasoning process. We demonstrate that by aligning agent design with business logic, substantial performance gains can be achieved without the need for costly model retraining.

cs.AI

Ex-GraphRAG: Interpretable Evidence Routing for Graph-Augmented LLMs

GraphRAG conditions language models on subgraphs retrieved from knowledge graphs, encoded via message-passing GNNs. Because these encoders entangle node contributions through iterated neighborhood aggregation, there is no closed-form way to determine how much each retrieved entity influenced the encoder's output, and therefore no way to faithfully audit what structural evidence actually reached the model. We introduce Ex-GraphRAG, which replaces the GNN encoder with a Multivariate Graph Neural Additive Network (M-GNAN), an extension of additive graph models to high-dimensional embedding spaces that yields an exact decomposition of the encoder's output across individual nodes and feature groups, without post-hoc approximation. On STaRK-Prime, this auditable encoder matches black-box performance. Using it to audit evidence routing, we uncover a semantic-structural mismatch: the nodes that dominate the encoder's output are structurally disconnected in the retrieved subgraph, held together by low-attribution intermediaries whose removal degrades multi-hop QA by up to 28%. This mismatch, invisible to any opaque encoder, reveals that semantic importance and structural connectivity are governed by disjoint sets of nodes, with direct implications for retrieval pruning, context construction, and failure diagnosis in graph-augmented LLMs.

cs.LG

KAPPS: A knowledge-based CPPS Architecture for the Circular Factory

While linear manufacturing relies on homogeneous materials and predefined process sequences, circular manufacturing reintroduces used products with heterogeneous and uncertain conditions. This shift demands manufacturing systems capable of handling variable product states, dynamically reconfigurable processes, and the integration of human and machine knowledge. Conventional manufacturing IT architectures, designed for stable structures and deterministic execution, are unable to meet these requirements, as they cannot adequately represent and manage the uniqueness of individual components at runtime. Following a design science methodology for developing a Cyber Physical Production System for circular manufacturing, we derive 14 requirements from five complementary perspectives. Based on these requirements, we design KAPPS, a knowledge-based architecture that uses an ontology-grounded knowledge graph as a unifying data backbone, combined with a semantic interface layer to enable consistent data and information integration, reasoning, and communication across heterogeneous systems and services, turning the knowledge graph from an integration layer into the factories authoritative write-time state. KAPPS incorporates modules for constraint enforcement and event-driven planning, enabling incremental adaptation of execution plans under uncertainty and human-machine knowledge exchange. The applicability of KAPPS is demonstrated through two implemented use cases: (i) Anomaly detection and learning through knowledge graph mediated services and (ii) runtime constraint enforcement in a modular conveyor system. Subsequently, the architecture is evaluated against the 14 requirements (ed. abstract shortened)

cs.AI

Leveraging Graph Structure in Seq2Seq Models for Knowledge Graph Link Prediction

We introduce Graph-Augmented Sequence-to-Sequence (GA-S2S), a novel framework that integrates a T5-small encoder-decoder with a Relational Graph Attention Network (RGAT) to improve link prediction in knowledge graphs. While existing Seq2Seq models rely solely on surface-level textual descriptions of entities and relations and at best, flatten the neighborhoods of a query entity into a single linear sequence, thereby discarding the inherent graph structure, GA-S2S jointly encodes both textual features and the full $k$-hop subgraph topology surrounding the query entity. By integrating raw encoder outputs with RGAT's relation-aware embeddings, our model captures and leverages richer multi-hop relational patterns and textual information. Our preliminary experiments on the CoDEx dataset demonstrate that GA-S2S outperforms competitive Seq2Seq-based baseline models, achieving up to a 19\% relative gain in link prediction accuracy.

cs.CL

Learning the dynamics of nonlinear systems with regional stability guarantees through linear matrix inequality constraints

This paper presents a method that learns a regionally stable recurrent neural network model from a set of input-output data generated by an unknown dynamical system. Relying on generalized sector conditions on the deadzone activation function, we first derive sufficient conditions that guarantee forward invariance on a compact set of the state space for any inputs from a given set. Such regional properties lead to less conservative conditions compared to variants that offer a global form of stability, and are in line with the system data that is only observed regionally. Our learning method derives conditions for regional stability using a barrier function approach, leading to models equipped with a certificate of regional stability in a subset of the state space and for a given input set. We illustrate our theoretical result with a numerical example and compare it to methods that impose a global form of stability, which fail to identify the system, and with a method that imposes no stability constraints at all, which does not guarantee a stable behavior within any state or input set.

eess.SY