LLM-based agents already operate in production across many industries, yet we lack an understanding of what technical methods make deployments successful. We present the first systematic study of Measuring Agents in Production, MAP, using first-hand data from agent developers. We conducted 20 case studies via in-depth interviews and surveyed 86 deployed systems practitioners across 26 domains. We investigate why organizations build agents, how they build them, how they evaluate them, and their top development challenges. Our study finds that production agents are built using simple, controllable approaches: 68% execute at most 10 steps before human intervention, 70% rely on prompting off-the-shelf models instead of weight tuning, and 74% depend primarily on human evaluation. Reliability (consistent correct behavior over time) remains the top development challenge, which practitioners currently address through systems-level design. MAP documents the current state of production agents, providing the research community with visibility into deployment realities and underexplored research avenues.

Proactive and agentic control in Sixth-Generation (6G) Open Radio Access Networks (O-RAN) requires control-grade prediction under stringent Near-Real-Time (Near-RT) latency and computational constraints. While Transformer-based models are effective for sequence modeling, their quadratic complexity limits scalability in Near-RT RAN Intelligent Controller (RIC) analytics. This paper investigates a post-Transformer design paradigm for efficient radio telemetry forecasting. We propose a quantum-inspired many-body state-space tensor network that replaces self-attention with stable structured state-space dynamics kernels, enabling linear-time sequence modeling. Tensor-network factorizations in the form of Tensor Train (TT) / Matrix Product State (MPS) representations are employed to reduce parameterization and data movement in both input projections and prediction heads, while lightweight channel gating and mixing layers capture non-stationary cross-Key Performance Indicator (KPI) dependencies. The proposed model is instantiated as an agentic perceive-predict xApp and evaluated on a bespoke O-RAN KPI time-series dataset comprising 59,441 sliding windows across 13 KPIs, using Reference Signal Received Power (RSRP) forecasting as a representative use case. Our proposed Linear Quantum-Inspired State-Space (LiQSS) model is 10.8x-15.8x smaller and approximately 1.4x faster than prior structured state-space baselines. Relative to Transformer-based models, LiQSS achieves up to a 155x reduction in parameter count and up to 2.74x faster inference, without sacrificing forecasting accuracy.

Web-based agents powered by large language models are increasingly used for tasks such as email management or professional networking. Their reliance on dynamic web content, however, makes them vulnerable to prompt injection attacks: adversarial instructions hidden in interface elements that persuade the agent to divert from its original task. We introduce the Task-Redirecting Agent Persuasion Benchmark (TRAP), a benchmark for studying how persuasion techniques misguide autonomous web agents on realistic tasks. Across six frontier models, agents are susceptible to prompt injection in 25% of tasks on average (13% for GPT-5 to 43% for DeepSeek-R1), with small interface or contextual changes often doubling success rates and revealing systemic, psychologically driven vulnerabilities in web-based agents. We also provide a modular social-engineering injection framework with controlled experiments on high-fidelity website clones, allowing for further benchmark expansion.

Constructing reduced models for turbulent transport is essential for accelerating profile predictions and enabling many-query tasks such as parameter exploration and design optimization. This work investigates machine-learning-driven reduced models for Electron Temperature Gradient (ETG) turbulence in the Wendelstein 7-X (W7-X) stellarator. We develop physics-guided scaling laws to predict the ETG heat flux at seven radial locations as functions of three key plasma parameters: the normalized electron temperature gradient ($ω_{T_e}$), the ratio of normalized electron temperature and density gradients ($η_e$), and the electron-to-ion temperature ratio ($τ$). The model coefficients are determined through regression combined with an active learning strategy. The procedure initializes the scaling laws using low-cardinality sparse-grid training data and iteratively enriches the training set by selecting maximally informative samples from an existing simulation database. The predictive performance of the models is assessed using out-of-sample datasets comprising more than $393$ points per radial location. Using the coefficients identified at the seven training radial locations, we further derive regression-based parameterizations for the scaling-law coefficients as functions of radial position. The resulting models are then evaluated at three additional radial locations not used during training, including both interpolation and moderate extrapolation cases. Overall, our reduced models demonstrate good predictive performance and achieve accuracy comparable to the original reference simulations, including in interpolation and moderate extrapolation regimes. An important finding is that a single radius-independent model cannot adequately describe ETG transport across the W7-X core, suggesting the presence of geometry-dependent physics not captured by the present formulation.

We argue that sixth-generation (6G) intelligence is not fluent token prediction but the capacity to imagine and choose -- to simulate future scenarios, weigh trade-offs, and act with calibrated uncertainty. We reframe open radio access network (O-RAN) near-real-time (Near-RT) control via counterfactual dynamics and a world modeling (WM) paradigm that learns an action-conditioned generative state space. This enables quantitative "what-if" forecasting beyond large language models (LLMs) as the primary modeling primitive. Actions such as physical resource blocks (PRBs) are treated as first-class control inputs in a causal world model, and both aleatoric and epistemic uncertainty are modeled for prediction and what-if analysis. An agentic, model predictive control (MPC)-based cross-entropy method (CEM) planner operates over short horizons, using prior-mean rollouts within data-driven PRB bounds to maximize a deterministic reward. The model couples multi-scale structured state-space mixtures (MS3M) with a compact stochastic latent to form WM-MS3M, summarizing key performance indicators (KPIs) histories and predicting next-step KPIs under hypothetical PRB sequences. On realistic O-RAN traces, WM-MS3M cuts mean absolute error (MAE) by 1.69% versus MS3M with 32% fewer parameters and similar latency, and achieves 35-80% lower root mean squared error (RMSE) than attention/hybrid baselines with 2.3-4.1x faster inference, enabling rare-event simulation and offline policy screening.

Purpose: To develop and evaluate a multi-agent framework (ReclAIm) for automated monitoring, detection, and correction of performance decline in medical image classification models. Materials and Methods: ReclAIm is a large language model-based multi-agent system that operates through natural language interaction. A master agent coordinating three task-specific agents performed performance evaluation and triggered fine-tuning when substantial performance declines were detected. The fine-tuning workflow incorporated data augmentation, class imbalance handling, and a parameter-anchoring regularization strategy to limit catastrophic forgetting. The system was benchmarked using multiple imaging datasets, including brain MRI, chest CT, and chest radiography, partitioned into model development, inference (performance monitoring), and fine-tuning subsets (60%:20%:20%). Results: ReclAIm successfully orchestrated training, evaluation, and performance monitoring across all datasets. Performance discrepancies between test and inference data were detected in 8 of 18 models, prompting fine-tuning workflows that reduced performance gaps. In cases with declines of up to 40.6% (cardiomegaly dataset, InceptionV3), fine-tuning restored performance metrics to within 2% of baseline values. Conclusion: ReclAIm provides a prototype framework for automated monitoring and targeted fine-tuning of medical image classification models, with a natural language interface designed to support accessibility in research and potential clinical applications.

Fringe projection profilometry (FPP) is a high-precision structured-light sensing technique for 3D surface reconstruction, yet its practical deployment is often constrained by complex calibration procedures, sensitivity to environmental conditions, and the high cost of physical experimentation. At the same time, robotics research increasingly relies on simulation platforms such as NVIDIA Isaac Sim for scalable development and validation, but accurate virtual representations of optical metrology sensors such as FPP are not currently available. In this work, we present VIRTUS-FPP, the first end-to-end virtual sensor modeling framework for fringe projection profilometry implemented in NVIDIA Isaac Sim, enabling physically grounded simulation of the complete FPP pipeline, including structured light projection, image formation, calibration, and 3D reconstruction, without dependence on pre-calibrated physical systems. The framework leverages an inverse camera model for projector representation, ensuring geometric and photometric fidelity consistent with structured-light principles. By bridging optical metrology and robotics simulation, VIRTUS-FPP enables high-fidelity synthetic data generation, systematic evaluation of sensing pipelines, and digital twin replication of real-world FPP systems. Experimental results demonstrate sub-millimeter reconstruction accuracy and strong correspondence between simulated and physical measurements, highlighting the framework's effectiveness and its potential to advance perception-driven robotics, simulation-to-reality transfer, and scalable optical sensor design.

Land surface temperature (LST) is a fundamental physical variable in land-atmosphere interactions, surface energy budgets, and climate processes. LST derived from medium- to high-resolution thermal infrared (TIR) observations effectively reveals thermal environmental disparities across distinct landscape units. However, achieving accurate, robust, and globally generalizable LST retrieval remains challenging under complex atmospheric conditions and diverse land cover types. Traditional split window (SW) algorithms heavily rely on empirical parameterizations, whose fixed coefficients fail to adapt to complex scenarios such as high surface temperatures and high atmospheric water vapor content. Concurrently, conventional data-driven models exhibit limited generalizability to out-of-distribution (OOD) samples due to the absence of explicit physical structure constraints. To address these issues, this study proposes a Parallel Component Decoupled Neural Network (PCD-Net) framework, which reformulates SW retrieval as a dynamic learning problem of physical component coefficients. Using the SW equation as the physical backbone, the framework constructs parallel subnetworks to adaptively learn the dynamic coefficients corresponding to the constant, first-order, and second-order brightness temperature difference terms; meanwhile, a residual branch is incorporated to supplement the nonlinear coupling corrections induced by the joint effects of surface emissivity and atmospheric water vapor. Through this component-level decoupled modeling, PCD-Net explicitly characterizes the dynamic response relationships between land surface emissivity, atmospheric water vapor content, and different SW physical components.

Database normalization is crucial to preserving data integrity. However, it is time-consuming and error-prone, as it is typically performed manually by data engineers. To this end, we present Miffie, a database normalization framework that leverages the capability of large language models. Miffie enables automated data normalization without human effort while preserving high accuracy. The core of Miffie is a dual-model self-refinement architecture that combines the best-performing models for normalized schema generation and verification, respectively. The generation module eliminates anomalies based on the feedback of the verification module until the output schema satisfies the requirement for normalization. We also carefully design task-specific zero-shot prompts to guide the models for achieving both high accuracy and cost efficiency. Experimental results show that Miffie can normalize complex database schemas while maintaining high accuracy.

Graph Neural Networks (GNNs) achieve high performance in various real-world applications, such as drug discovery, traffic states prediction, and recommendation systems. The fact that building powerful GNNs requires a large amount of training data, powerful computing resources, and human expertise turns the models into lucrative targets for model stealing attacks. Prior work has revealed that the threat vector of stealing attacks against GNNs is large and diverse, as an attacker can leverage various heterogeneous signals ranging from node labels to high-dimensional node embeddings to create a local copy of the target GNN at a fraction of the original training costs. This diversity in the threat vector renders the design of effective and general defenses challenging and existing defenses usually focus on one particular stealing setup. Additionally, they solely provide means to identify stolen model copies rather than preventing the attack. To close this gap, we propose the first and general Active Defense Against GNN Extraction (ADAGE). ADAGE builds on the observation that stealing a model's full functionality requires highly diverse queries to leak its behavior across the input space. Our defense monitors this query diversity and progressively perturbs outputs as the accumulated leakage grows. In contrast to prior work, ADAGE can prevent stealing across all common attack setups. Our extensive experimental evaluation using six benchmark datasets, four GNN models, and three types of adaptive attackers shows that ADAGE penalizes attackers to the degree of rendering stealing impossible, whilst preserving predictive performance on downstream tasks. ADAGE, thereby, contributes towards securely sharing valuable GNNs in the future.

Code retrieval is essential in modern software development, as it boosts code reuse and accelerates debugging. However, current benchmarks primarily emphasize functional relevance while neglecting critical dimensions of software quality. Motivated by this gap, we introduce CoQuIR, the first large-scale, multilingual benchmark specifically designed to evaluate quality-aware code retrieval across four key dimensions: correctness, efficiency, security, and maintainability. CoQuIR provides fine-grained quality annotations for 42,725 queries and 134,907 code snippets in 11 programming languages, and is accompanied by two quality-centric evaluation metrics: Pairwise Preference Accuracy and Margin-based Ranking Score. Using CoQuIR, we benchmark 23 retrieval models, covering both open-source and proprietary systems, and find that even top-performing models frequently fail to distinguish buggy or insecure code from their more robust counterparts. Furthermore, we conduct preliminary investigations into training methods that explicitly encourage retrievers to recognize code quality. Using synthetic datasets, we demonstrate promising improvements in quality-aware metrics across various models, without sacrificing semantic relevance. Downstream code generation experiments further validate the effectiveness of our approach. Overall, our work highlights the importance of integrating quality signals into code retrieval systems, laying the groundwork for more trustworthy and robust software development tools.

In both observational data and randomized control trials, researchers select statistical models to articulate how the outcome of interest varies with combinations of observable covariates. Choosing a model that is too simple can obfuscate important heterogeneity in outcomes between covariate groups, while too much complexity risks identifying spurious patterns. In this paper, we propose a novel Bayesian framework for model uncertainty called Rashomon Partition Sets (RPSs). The RPS consists of all models that have posterior density close to the maximum a posteriori (MAP) model. We construct the RPS by enumeration, rather than sampling, which ensures that we explore all models with high evidence in the data, even if they offer dramatically different substantive explanations. We use a l0 prior, which allows the allows us to capture complex heterogeneity without imposing strong assumptions about the associations between effects, showing this prior is minimax optimal from an information-theoretic perspective. We characterize the approximation error of (functions of) parameters computed conditional on being in the RPS relative to the entire posterior. We propose an algorithm to enumerate the RPS from the class of models that are interpretable and unique, then provide bounds on the size of the RPS. We give simulation evidence along with three empirical examples: price effects on charitable giving, heterogeneity in chromosomal structure, and the introduction of microfinance.

This paper explores how older migrants in urban China can record stories that everyday language and design often miss. We ran two co-creation workshops with 10 elders. Activities combined oral storytelling, facilitator-mediated AI assistance, and hand-making. Large language models proposed candidate glyphs through a facilitator. Participants crafted new Hanzi to hold their stories. The resulting characters served as memory anchors for later sharing and retelling. Our interpretive analysis shows heterogeneity and adaptive capacity among participants. Participants experienced AI as a creative initiator that lowered barriers to expression and making, especially for those with lower digital literacy. The work challenges homogenizing assumptions about older adults and the presumption of uniform capacities and needs. We contribute a workshop framework that positions AI as a backstage facilitator. We also offer insights on engaging older migrants as sources of community memory and situated cultural knowledge within inclusive urban systems.

Understanding the causal influence of one agent on another agent is crucial for safely deploying artificially intelligent systems such as automated vehicles and mobile robots into human-inhabited environments. Existing models of causal responsibility deal with simplified abstractions of scenarios with discrete actions, thus, limiting real-world use when understanding responsibility in spatial interactions. Based on the assumption that spatially interacting agents are embedded in a scene and must follow an action at each instant, Feasible Action-Space Reduction (FeAR) was proposed as a metric for causal responsibility in a grid-world setting with discrete actions.Since real-world interactions involve continuous action spaces, this paper proposes a formulation of the FeAR metric for measuring causal responsibility in space-continuous interactions. We illustrate the utility of the metric in prototypical space-sharing conflicts, and showcase its applications for analysing backward-looking responsibility and in estimating forward-looking responsibility to guide agent decision making. Our results highlight the potential of the FeAR metric for designing and engineering artificial agents, as well as for assessing the responsibility of agents around humans.

Long-latency load requests continue to limit the performance of high-performance processors. To increase the latency tolerance of a processor, architects have primarily relied on two key techniques: sophisticated data prefetchers and large on-chip caches. In this work, we show that: 1) even a sophisticated state-of-the-art prefetcher can only predict half of the off-chip load requests on average across a wide range of workloads, and 2) due to the increasing size and complexity of on-chip caches, a large fraction of the latency of an off-chip load request is spent accessing the on-chip cache hierarchy. The goal of this work is to accelerate off-chip load requests by removing the on-chip cache access latency from their critical path. To this end, we propose a new technique called Hermes, whose key idea is to: 1) accurately predict which load requests might go off-chip, and 2) speculatively fetch the data required by the predicted off-chip loads directly from the main memory, while also concurrently accessing the cache hierarchy for such loads. To enable Hermes, we develop a new lightweight, perceptron-based off-chip load prediction technique that learns to identify off-chip load requests using multiple program features (e.g., sequence of program counters). For every load request, the predictor observes a set of program features to predict whether or not the load would go off-chip. If the load is predicted to go off-chip, Hermes issues a speculative request directly to the memory controller once the load's physical address is generated. If the prediction is correct, the load eventually misses the cache hierarchy and waits for the ongoing speculative request to finish, thus hiding the on-chip cache hierarchy access latency from the critical path of the off-chip load. Our evaluation shows that Hermes significantly improves performance of a state-of-the-art baseline. We open-source Hermes.

We propose an unsupervised deep learning based method to estimate depth from focal stack camera images. On the NYU-v2 dataset, our method achieves much better depth estimation accuracy compared to single-image based methods.

Multi-agent systems (MAS) have emerged as a prominent paradigm for leveraging large language models (LLMs) to tackle complex tasks. However, the mechanisms governing the effectiveness of MAS built upon publicly available LLMs, specifically the underlying rationales for their success or failure, remain largely unexplored. In this paper, we revisit MAS through the perspective of \textit{entropy}, considering both intra- and inter-agent dynamics by investigating entropy transitions during problem-solving across various topologies, six reasoning benchmarks, and two agentic tasks. By analyzing 245 features spanning token-, agent-, and round-level entropy, we counterintuitively find that a single agent outperforms MAS in approximately 43.3\% of cases, and that entropy dynamics are largely determined during the first round of interaction. Furthermore, we provide three key observations: 1) \textit{Certainty Preference}: peak entropy directly harms and stable entropy directly benefits MAS correctness; 2) \textit{Base Entropy}: base models with lower entropy during problem-solving causally drive MAS performance; and 3) \textit{Task Awareness}: entropy dynamics of MAS play varying roles across different tasks. Building on these insights, we introduce a simple yet effective algorithm, the \textit{Entropy Judger}, to select solutions from MAS's pass@$k$ results, leading to consistent accuracy improvements across all MAS configurations and tasks. Our source code is available at \href{https://github.com/AgenticFinLab/multiagent-entropy}{this https URL}.

Since the various MR contrasts of a given anatomy contain redundant information, one contrast can be used to guide the reconstruction of another undersampled contrast acquired subsequently in the same session. To solve this reconstruction problem leveraging multi-contrast side information, several end-to-end learning-based methods have been proposed. However, a key challenge is the requirement for large paired training datasets comprising raw k-space data and aligned reference images. We propose a modular plug-and-play method, which requires no k-space training data and relies solely on partially paired image-domain datasets. A content/style model of two-contrast MR image data is first learned and subsequently applied as a plug-and-play operator in iterative reconstruction. The disentanglement of content and style allows explicit representation of contrast-independent and contrast-specific factors. Consequently, incorporating prior information into the reconstruction reduces to a simple replacement operation on the aliased content of the estimated image using high-quality content derived from the reference scan. Combining this operation with an MR data consistency step, followed by a corrective procedure for the content estimate, yields an iterative scheme. We name this novel approach PnP-CoSMo. It offers, by design, cross-contrast generalizability and provides an explanatory framework based on the shared and non-shared generative factors underlying the two given contrasts. We explore various aspects, including interpretability and convergence, via simulations. Furthermore, its practicality is demonstrated on the public NYU fastMRI DICOM dataset, showing equivalent or superior quality and greater generalizability compared to end-to-end methods. On two in-house multi-coil datasets, PnP-CoSMo enabled up to 32.6% greater acceleration over non-guided reconstruction at given SSIM.

The identification of Linear Time-Varying (LTV) systems from input-output data is a fundamental yet challenging ill-posed inverse problem. This work introduces a unified Bayesian framework that models the system's impulse response, $h(t, τ)$, as a stochastic process. We decompose the response into a posterior mean and a random fluctuation term, a formulation that provides a principled approach for quantifying uncertainty, unifies intrinsic channel variability and epistemic uncertainty through a common posterior representation, and naturally defines a new, useful system class we term Linear Time-Invariant in Expectation (LTIE). To perform inference, we leverage modern machine learning techniques, including Bayesian neural networks and Gaussian Processes, using scalable variational inference. We demonstrate through a series of experiments that our framework can infer the properties of an LTI system from a single noisy input-output pair, including under deliberate additive-noise misspecification, achieve a lower overall error floor than the classical CCF stacking baseline in a simulated ambient noise tomography setting, and track a continuously varying LTV impulse response by using a structured Gaussian Process prior. This work provides a flexible and robust methodology for uncertainty-aware system identification in dynamic environments.

Legal AI systems are increasingly being adopted by judicial and legal system deployers and providers worldwide to support a range of applications. While they offer potential benefits such as reducing bias, increasing efficiency, and improving accountability, they also pose significant risks, requiring a careful balance between opportunities, and legal and ethical development and deployment. AI literacy, as a legal requirement under the EU AI Act and a critical enabler of ethical AI for deployers and providers, could be a tool to achieve this. The article introduces the term "legal AI systems" and then analyzes the concept of AI literacy and the benefits and risks associated with these systems. This analysis is linked to a broader AI-L concept for organizations that deal with legal AI systems. The outcome of the article, a roadmap questionnaire as a practical tool for developers and providers to assess risks, benefits, and stakeholder concerns, could be useful in meeting societal and regulatory expectations for legal AI.

Dynamical Mean Field Theory (DMFT) provides an asymptotic description of the dynamics of macroscopic observables in certain disordered systems. Originally pioneered in the context of spin glasses by Sompolinsky and Zippelius (1982), it has since been used to derive asymptotic dynamical equations for a wide range of models in physics, high-dimensional statistics and machine learning. One of the main tools used by physicists to obtain these equations is the dynamical cavity method, which has remained largely non-rigorous. In contrast, existing mathematical formalizations have relied on alternative approaches, including Gaussian conditioning, large deviations over paths, or Fourier analysis. In this work, we formalize the dynamical cavity method and use it to give a new proof of the DMFT equations for General First Order Methods, a broad class of dynamics encompassing algorithms such as Gradient Descent and Approximate Message Passing.

Many real-world datasets contain hidden structure that cannot be detected by simple linear correlations between input features. For example, latent factors may influence the data in a coordinated way, even though their effect is invisible to covariance-based methods such as PCA. In practice, nonlinear neural networks often succeed in extracting such hidden structure in unsupervised and self-supervised learning. However, constructing a minimal high-dimensional model where this advantage can be rigorously analyzed has remained an open theoretical challenge. We introduce a tractable high-dimensional spiked model with two latent factors: one visible to covariance, and one statistically dependent yet uncorrelated, appearing only in higher-order moments. PCA and linear autoencoders fail to recover the latter, while a minimal nonlinear autoencoder provably extracts both. We analyze both the population risk, and empirical risk minimization. Our model also provides a tractable example where self-supervised test loss is poorly aligned with representation quality: nonlinear autoencoders recover latent structure that linear methods miss, even though their reconstruction loss is higher.

Trained attention layers exhibit striking and reproducible spectral structure of the weights, including low-rank collapse, bulk deformation, and isolated spectral outliers, yet the origin of these phenomena and their implications for generalization remain poorly understood. We study empirical risk minimization in a single-head tied-attention layer trained on synthetic high-dimensional sequence tasks generated from the attention-indexed model. Using tools from random matrix theory, spin-glass theory, and approximate message passing, we obtain an exact high-dimensional characterization of training and test error, interpolation and recovery thresholds, and the spectrum of the key and query matrices. Our theory predicts the full singular-value distribution of the trained query-key map, including low-rank structure and isolated spectral outliers, in qualitative agreement with observations in more realistic transformers. Finally, for targets with power-law spectra, we show that learning proceeds through sequential spectral recovery, leading to the emergence of power-law scaling laws.

Diffusion models show promise for 3D molecular generation, but face a fundamental trade-off between sampling efficiency and conformational accuracy. While flow-based models are fast, they often produce geometrically inaccurate structures, as they have difficulty capturing the multimodal distributions of molecular conformations. In contrast, denoising diffusion models are more accurate but suffer from slow sampling, a limitation attributed to sub-optimal integration between diffusion dynamics and SE(3)-equivariant architectures. To address this, we propose VEDA, a unified SE(3)-equivariant framework that combines variance-exploding diffusion with annealing to efficiently generate conformationally accurate 3D molecular structures. Specifically, our key technical contributions include: (1) a VE schedule that enables noise injection functionally analogous to simulated annealing, improving 3D accuracy and reducing relaxation energy; (2) a novel preconditioning scheme that reconciles the coordinate-predicting nature of SE(3)-equivariant networks with a residual-based diffusion objective, and (3) a new arcsin-based scheduler that concentrates sampling in critical intervals of the logarithmic signal-to-noise ratio. On the QM9 and GEOM-DRUGS datasets, VEDA matches the sampling efficiency of flow-based models, achieving state-of-the-art valency stability and validity with only 100 sampling steps. More importantly, VEDA's generated structures are remarkably stable, as measured by their relaxation energy during GFN2-xTB optimization. The median energy change is only 1.72 kcal/mol, significantly lower than the 32.3 kcal/mol from its architectural baseline, SemlaFlow. Our framework demonstrates that principled integration of VE diffusion with SE(3)-equivariant architectures can achieve both high chemical accuracy and computational efficiency.

Large language models (LLMs) are now widely used to draft and refactor code, but code that works is not necessarily secure. We evaluate secure code generation using the Instruct Prime, which eliminated compliance-required prompts and cue contamination, and evaluate five instruction-tuned code LLMs using a zero-shot baseline and a three-round reflexion prompting approach. Security is measured using the Insecure Code Detector (ICD), and results are reported by measuring Repair, Regression, and NetGain metrics, considering the programming language and CWE family. Our findings show that insecurity remains common at the first round: roughly 25-33% of programs are insecure at a zero-shot baseline (t0 ). Weak cryptography/config-dependent bugs are the hardest to avoid while templated ones like XSS, code injection, and hard-coded secrets are handled more reliably. Python yields the highest secure rates; C and C# are the lowest, with Java, JS, PHP, and C++ in the middle. Reflexion prompting improves security for all models, improving average accuracy from 70.74% at t0 to 79.43% at t3 , with the largest gains in the first round followed by diminishing returns. The trends with Repair, Regression, and NetGain metrics show that applying one to two rounds produces most of the benefits. A replication package is available at https://doi.org/10.5281/zenodo.17065846.

Voice disorders affect a significant portion of the population, and the ability to diagnose them using automated, non-invasive techniques would represent a substantial advancement in healthcare, improving the quality of life of patients. Recent studies have demonstrated that artificial intelligence models, particularly Deep Neural Networks (DNNs), can effectively address this task. However, due to their complexity, the decision-making process of such models often remain opaque, limiting their trustworthiness in clinical contexts. This paper investigates an alternative approach based on Explainable AI (XAI), a field that aims to improve the interpretability of DNNs by providing different forms of explanations. Specifically, this works focuses on concept-based models such as Concept Bottleneck Model (CBM) and Concept Embedding Model (CEM) and how they can achieve performance comparable to traditional deep learning methods, while offering a more transparent and interpretable decision framework.

What fundamentally distinguishes an adversarial attack from a misclassification due to limited model expressivity or finite data? In this work, we investigate this question in the setting of high-dimensional binary classification, where statistical effects due to limited data availability play a central role. We introduce a new error metric that precisely capture this distinction, quantifying model vulnerability to consistent adversarial attacks -- perturbations that preserve the ground-truth labels. Our main technical contribution is an exact and rigorous asymptotic characterization of these metrics in both well-specified models and latent space models, revealing different vulnerability patterns compared to standard robust error measures. The theoretical results demonstrate that as models become more overparameterized, their vulnerability to label-preserving perturbations grows, offering theoretical insight into the mechanisms underlying model sensitivity to adversarial attacks.

Electrocardiogram (ECG) recordings have long been vital in diagnosing different cardiac conditions. Recently, research in the field of automatic ECG processing using machine learning methods has gained importance, mainly by utilizing deep learning methods on raw ECG signals. A major advantage of models like convolutional neural networks (CNNs) is their ability to effectively process biomedical imaging or signal data. However, this strength is tempered by challenges related to their lack of explainability, the need for a large amount of training data, and the complexities involved in adapting them for unsupervised clustering tasks. In addressing these tasks, we aim to reintroduce shallow learning techniques, including support vector machines and principal components analysis, into ECG signal processing by leveraging their semi-structured, cyclic form. To this end, we developed and evaluated a transformation that effectively restructures ECG signals into a fully structured format, facilitating their subsequent analysis using shallow learning algorithms. In this study, we present this adaptive transformative approach that aligns R-peaks across all signals in a dataset and resamples the segments between R-peaks, both with and without heart rate dependencies. We illustrate the substantial benefit of this transformation for traditional analysis techniques in the areas of classification, clustering, and explainability, outperforming commercial software for median beat transformation and CNN approaches. Our approach demonstrates a significant advantage for shallow machine learning methods over CNNs, especially when dealing with limited training data. Additionally, we release a fully tested and publicly accessible code framework, providing a robust alignment pipeline to support future research, available at https://github.com/imi-ms/rlign.

In earthquake-prone zones, the seismic performance of reinforced concrete cantilever (RCC) retaining walls is significant. In this study, the seismic performance was investigated using horizontal and vertical pseudo-static coefficients. To tackle RCC weights and forces resulting from these earth pressures, 26 constraints for structural strengths and geotechnical stability along with 12 geometric variables are associated with each design. These constraints and design variables form a constraint optimization problem with a twelve-dimensional solution space. To conduct effective search and produce sustainable, economical, lightweight RCC designs robust against earthquake hazards, a novel adaptive fuzzy-based metaheuristic algorithm is applied. The proposed method divides the search space to sub-regions and establishes exploration, information sharing, and exploitation search capabilities based on its novel search components. Further, fuzzy inference systems were employed to address parameterization and computational cost evaluation issues. It was found that the proposed algorithm can achieve low-cost, low-weight, and low CO2 emission RCC designs under nine seismic conditions in comparison with several classical and best-performing design optimizers.

Classification of sleep stages is one of the most important diagnostic approaches for a variety of sleep-related disorders. Electroencephalography (EEG) is regarded as a powerful tool for examining the association between neurological effects and sleep phases since it correctly identifies sleep-related neurological alterations. During Non-Rapid Eye Movement (NREM) and Rapid Eye Movement (REM) sleep phases, a number of nerve and bodily functions are affected and therefore hold an important role both in their functionalities. This work aims to classify NREM and REM sleep stages from sleep EEG data and present a noble SleepExplain model, an explainable NREM and REM sleep stage classification to explain its predictions. In this work, sleep stages were classified using Random Forest, XGBoost, and Gradient Boosting ensemble classification models. Overall, we obtained an accuracy of 92.54% (Random Forest), 94.25% (Gradient Boosting), and 94.30% (XGBoost). For explainable classification model, we utilized a game theoretic approach, SHAP (SHapley Addictive exPlanations) to offer a convincing explanation for the prediction.