Parallel-in-time (PinT) techniques have been proposed to solve systems of time-dependent differential equations by parallelizing the temporal domain.

Model combination is a powerful approach to achieve superior performance with a set of models than by just selecting any single one. We study both theoretically and empirically the effectiveness of ensembles of Multi-Frequency Echo State Networks (MFESNs), which have been shown to achieve state-of-the-art macroeconomic time series forecasting results (Ballarin et al., 2024a). Hedge and Follow-the-Leader schemes are discussed, and their online learning guarantees are extended to the case of dependent data. In applications, our proposed Ensemble Echo State Networks show significantly improved predictive performance compared to individual MFESN models.

The key task of machine learning is to minimize the loss function that measures the model fit to the training data. The numerical methods to do this efficiently depend on the properties of the loss function. The most decisive among these properties is the convexity or non-convexity of the loss function. The fact that the loss function can have, and frequently has, non-convex regions has led to a widespread commitment to non-convex methods such as Adam. However, a local minimum implies that, in some environment around it, the function is convex. In this environment, second-order minimizing methods such as the Conjugate Gradient (CG) give a guaranteed superlinear convergence. We propose a novel framework grounded in the hypothesis that loss functions in real-world tasks swap from initial non-convexity to convexity towards the optimum. This is a property we leverage to design an innovative two-phase optimization algorithm. The presented algorithm detects the swap point by observing the gradient norm dependence on the loss. In these regions, non-convex (Adam) and convex (CG) algorithms are used, respectively. Computing experiments confirm the hypothesis that this simple convexity structure is frequent enough to be practically exploited to substantially improve convergence and accuracy.

Large Language Models (LLMs) have evolved into AI agents that interact with external tools and environments to perform complex tasks. The Model Context Protocol (MCP) has become the de facto standard for connecting agents with such resources, but security has lagged behind: thousands of MCP servers execute with unrestricted access to host systems, creating a broad attack surface. In this paper, we introduce AgentBound, the first access control framework for MCP servers. AgentBound combines a declarative policy mechanism, inspired by the Android permission model, with a policy enforcement engine that contains malicious behavior without requiring MCP server modifications. We build a dataset containing the 296 most popular MCP servers, and show that access control policies can be generated automatically from source code with 80.9% accuracy. We also show that AgentBound blocks the majority of security threats in several malicious MCP servers, and that policy enforcement engine introduces negligible overhead. Our contributions provide developers and project managers with a practical foundation for securing MCP servers while maintaining productivity, enabling researchers and tool builders to explore new directions for declarative access control and MCP security.

Accurately classifying chemical structures is essential for cheminformatics and bioinformatics, including tasks such as identifying bioactive compounds of interest, screening molecules for toxicity to humans, finding non-organic compounds with desirable material properties, or organizing large chemical libraries for drug discovery or environmental monitoring. However, manual classification is labor-intensive and difficult to scale to large chemical databases. Existing automated approaches either rely on manually constructed classification rules, or are deep learning methods that lack explainability. This work presents an approach that uses generative artificial intelligence to automatically write chemical classifier programs for classes in the Chemical Entities of Biological Interest (ChEBI) database. These programs can be used for efficient deterministic run-time classification of SMILES structures, with natural language explanations. The programs themselves constitute an explainable computable ontological model of chemical class nomenclature, which we call the ChEBI Chemical Class Program Ontology (C3PO). We validated our approach against the ChEBI database, and compared our results against deep learning models and a naive SMARTS pattern based classifier. C3PO outperforms the naive classifier, but does not reach the performance of state of the art deep learning methods. However, C3PO has a number of strengths that complement deep learning methods, including explainability and reduced data dependence. C3PO can be used alongside deep learning classifiers to provide an explanation of the classification, where both methods agree. The programs can be used as part of the ontology development process, and iteratively refined by expert human curators.

Parallel-in-time (PinT) techniques have been proposed to solve systems of time-dependent differential equations by parallelizing the temporal domain.

Using the weights of trained Neural Network (NN) models as data modality has recently gained traction as a research field - dubbed Weight Space Learning (WSL). Multiple recent works propose WSL methods to analyze models, evaluate methods, or synthesize weights. Weight space learning methods require populations of trained models as datasets for development and evaluation. However, existing collections of models - called `model zoos' - are unstructured or follow a rudimentary definition of diversity. In parallel, work rooted in statistical physics has identified phases and phase transitions in NN models. Models are homogeneous within the same phase but qualitatively differ from one phase to another. We combine the idea of `model zoos' with phase information to create a controlled notion of diversity in populations. We introduce 12 large-scale zoos that systematically cover known phases and vary over model architecture, size, and datasets. These datasets cover different modalities, such as computer vision, natural language processing, and scientific ML. For every model, we compute loss landscape metrics and validate full coverage of the phases. With this dataset, we provide the community with a resource with a wide range of potential applications for WSL and beyond. Evidence suggests the loss landscape phase plays a role in applications such as model training, analysis, or sparsification. We demonstrate this in an exploratory study of the downstream methods like transfer learning or model weights averaging.

In the context of industrial factories and energy producers, unplanned outages are highly costly and difficult to service. However, existing acoustic-anomaly detection studies largely rely on generic industrial or synthetic datasets, with few focused on hydropower plants due to limited access. This paper presents a comparative analysis of acoustic-based anomaly detection methods, as a way to improve predictive maintenance in hydropower plants. We address key challenges in the acoustic preprocessing under highly noisy conditions before extracting time- and frequency-domain features. Then, we benchmark three machine learning models: LSTM AE, K-Means, and OC-SVM, which are tested on two real-world datasets from the Rodundwerk II pumped-storage plant in Austria, one with induced anomalies and one with real-world conditions. The One-Class SVM achieved the best trade-off of accuracy (ROC AUC 0.966-0.998) and minimal training time, while the LSTM autoencoder delivered strong detection (ROC AUC 0.889-0.997) at the expense of higher computational cost.

While LLMs have been extensively studied on general text generation tasks, there is less research on text rewriting, a task related to general text generation, and particularly on the behavior of models on this task. In this paper we analyze what changes LLMs make in a text rewriting setting. We focus specifically on argumentative texts and their improvement, a task named Argument Improvement (ArgImp). We present CLEAR: an evaluation pipeline consisting of 57 metrics mapped to four linguistic levels: lexical, syntactic, semantic and pragmatic. This pipeline is used to examine the qualities of LLM-rewritten arguments on a broad set of argumentation corpora and compare the behavior of different LLMs on this task and analyze the behavior of different LLMs on this task in terms of linguistic levels. By taking all four linguistic levels into consideration, we find that the models perform ArgImp by shortening the texts while simultaneously increasing average word length and merging sentences. Overall we note an increase in the persuasion and coherence dimensions.

This report explores how (potentially constrained) natural language can be used to enable non-experts to develop process models by simply describing scenarios in plain text. To this end, a framework, called BeePath, is proposed. It allows users to write process descriptions in a constrained pattern-based language, which can then be translated into formal models such as Petri nets and DECLARE. The framework also leverages large language models (LLMs) to help convert unstructured descriptions into this constrained language.