Graph ML
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Related Articles from SNS
Graph Machine Learning in the Era of Large Language Models (LLMs)
Announce Type: replace Abstract: Graphs play an important role in representing complex relationships in various domains like social networks, knowledge graphs, and molecular discovery. With the advent of deep learning, Graph Neural Networks (GNNs) have emerged as a cornerstone in Graph Machine Learning (Graph ML), facilitating the representation and processing of graphs. Recently, LLMs have demonstrated unprecedented capabilities in language tasks and are widely adopted in a variety of...
Towards Serverless Semi-Decentralized Federated Learning with Heterogeneous Optimizers
Announce Type: new Abstract: We investigate cluster formation, involving the number and composition of clusters, in decentralized federated learning (FL) with heterogeneous machine learning (ML) optimizers. While clustering in centralized FL has enabled scalability and resource savings, its value and development in fully decentralized environments have yet to be explored. Optimizing cluster formation in such environments is challenging, especially due to the complex coupling between network...
Do Larger Models Really Win in Drug Discovery? A Benchmark Assessment of Model Scaling in AI-Driven Molecular Property and Activity Prediction
Announce Type: replace Abstract: The rapid growth of molecular foundation models and large language models (LLMs) has encouraged a scale centred view of AI in drug discovery, in which larger pretrained models are expected to supersede compact cheminformatics models. We test this assumption across 26 ADME, toxicity and bioactivity endpoints, covering 165,541 endpoint level compound label records. The benchmark contains 78 endpoint and split entries evaluated under random, Murcko scaffold and...
ML for the hKLM at the 2nd Detector
arXiv:2604.08447v2 Announce Type: replace Abstract: The present research applies Graph Neural-Networks (GNNs) for energy measurement and particle identification tasks for a proposed second detector at the future Electron Ion Collider (EIC). In particular, an iron-scintillator sampling calorimeter would provide neutral hadron ($K_L$ and neutron) energy measurements and identification, as well as separation of muons from hadrons. Using detector simulations, particle hits in the detector are...
SECUREVENT: Hybrid AI/ML Security Monitoring for Distributed Event-Based Systems
Announce Type: new Abstract: Distributed event-based systems have become a common substrate for Internet-scale publish/subscribe services, IoT telemetry, cloud-native microservices, and security operations pipelines. Their loose coupling and asynchronous delivery improve scalability, but they also expand the attack surface: publishers, brokers, subscribers, topics, schemas, and temporal ordering can each be abused without a single component observing the whole behavior. This paper proposes...
Unifying and Optimizing Data Values for Selection via Sequential Decision-Making
arXiv:2502.04554v2 Announce Type: replace Abstract: Data selection has emerged as a crucial downstream application of data valuation, yet the theoretical foundations for using data values in selection remain underexplored. We reformulate data selection as a sequential decision-making problem where the optimal selection sequence arises from dynamic programming, and data values can be understood as encodings of this optimal sequence. This framework unifies and reinterprets existing methods...
Geodesic Semantic Search: Cartographic Navigation of Citation Graphs with Learned Local Riemannian Maps
arXiv:2602.23665v5 Announce Type: replace Abstract: We present Geodesic Semantic Search (GSS), a retrieval system that learns node-specific Riemannian metrics on citation graphs to enable geometry-aware semantic search. Unlike standard embedding-based retrieval that relies on fixed Euclidean distances, \gss{} learns a low-rank metric tensor $\mL_i \in \R^{d \times r}$ at each node, inducing a local positive semi-definite metric $\mG_i = \mL_i \mL_i^\top + \eps \mI$.
TAO: Tolerance-Aware Optimistic Verification for Floating-Point Neural Networks
arXiv:2510.16028v4 Announce Type: replace Abstract: Neural networks increasingly run on hardware outside the user's control (cloud GPUs, inference marketplaces). Yet ML-as-a-Service reveals little about what actually ran or whether returned outputs faithfully reflect the intended inputs. Users lack recourse against service downgrades (model swaps, quantization, graph rewrites, or discrepancies like altered ad embeddings).
Output Type Before Quality: A Standards-Derived XAI Admissibility Rubric for Autonomous-Driving Safety
Announce Type: new Abstract: Safety standards for ML-based autonomous driving specify the kind of evidence an assurance case must contain (directed cause-and-effect chains, quantified interventional effects, named root-cause variables), yet the XAI literature is organised by output type and technique family (saliency maps, feature attribution, counterfactuals, causal graphs, language traces). SHAP, the most-recommended ADS XAI method, returns a ranked feature list that no implementation...
Fixed-Point Scaffolding in the Clef Programming Language
Announce Type: new Abstract: For fans of Gabriel's "Worse is Better" it may be ironic that C++, by way of MLIR, serves as the scaffold for compiling an ML-family language whose correctness properties are structural. A crucial intersection in our Composer compiler initiates its lowering with a fixed-point combinator that preserves the dimensional, grade, escape, and numeric-representation structure from the Program Semantic Graph. And the MLIR that's witnessed from the PSG is no passive host.