Transcatheter Aortic Valve Replacement (TAVR) has emerged as a minimally invasive treatment option for patients with severe aortic stenosis, a life-threatening cardiovascular condition. Multiple transcatheter heart valves (THV) have been approved for use in TAVR, but current guidelines regarding valve type prescription remain an active topic of debate. We propose a data-driven clinical support tool to identify the optimal valve type with the objective of minimizing the risk of permanent pacemaker implantation (PPI), a predominant postoperative complication. We synthesize a novel dataset that combines U.S. and Greek patient populations and integrates three distinct data sources (patient demographics, computed tomography scans, echocardiograms) while harmonizing differences in each country's record system. We introduce a leaf-level analysis to leverage population heterogeneity and avoid benchmarking against uncertain counterfactual risk estimates. The final prescriptive model shows a reduction in PPI rates of 26% and 16% compared with the current standard of care in our internal U.S. population and external Greek validation cohort, respectively. To the best of our knowledge, this work represents the first unified, personalized prescription strategy for THV selection in TAVR.

We present a novel multi-stage workflow for computational materials discovery that achieves a 99% success rate in identifying compounds within 100 meV/atom of thermodynamic stability, with a threefold improvement over previous approaches. By combining the Matra-Genoa generative model, Orb-v2 universal machine learning interatomic potential, and ALIGNN graph neural network for energy prediction, we generated 119 million candidate structures and added 1.3 million DFT-validated compounds to the ALEXANDRIA database, including 74 thousand new stable materials. The expanded ALEXANDRIA database now contains 5.8 million structures with 175 thousand compounds on the convex hull. Predicted structural disorder rates (37-43%) match experimental databases, unlike other recent AI-generated datasets. Analysis reveals fundamental patterns in space group distributions, coordination environments, and phase stability networks, including sub-linear scaling of convex hull connectivity. We release the complete dataset, including sAlex25 with 14 million out-of-equilibrium structures containing forces and stresses for training universal force fields. We demonstrate that fine-tuning a GRACE model on this data improves benchmark accuracy. All data, models, and workflows are freely available under Creative Commons licenses.

Deep Operator Networks (DeepONets) have become a central tool in data-driven operator learning, providing flexible surrogates for nonlinear mappings arising in partial differential equations (PDEs). However, the standard trunk design based on fully connected layers acting on raw spatial or spatiotemporal coordinates struggles to represent sharp gradients, boundary layers, and non-periodic structures commonly found in PDEs posed on bounded domains with Dirichlet or Neumann boundary conditions. To address these limitations, we introduce the Spectral-Embedded DeepONet (SEDONet), a new DeepONet variant in which the trunk is driven by a fixed Chebyshev spectral dictionary rather than coordinate inputs. This non-periodic spectral embedding provides a principled inductive bias tailored to bounded domains, enabling the learned operator to capture fine-scale non-periodic features that are difficult for Fourier or MLP trunks to represent. SEDONet is evaluated on a suite of PDE benchmarks including 2D Poisson, 1D Burgers, 1D advection-diffusion, Allen-Cahn dynamics, and the Lorenz-96 chaotic system, covering elliptic, parabolic, advective, and multiscale temporal phenomena, all of which can be viewed as canonical problems in computational mechanics. Across all datasets, SEDONet consistently achieves the lowest relative L2 errors among DeepONet, FEDONet, and SEDONet, with average improvements of about 30-40% over the baseline DeepONet and meaningful gains over Fourier-embedded variants on non-periodic geometries. Spectral analyses further show that SEDONet more accurately preserves high-frequency and boundary-localized features, demonstrating the value of Chebyshev embeddings in non-periodic operator learning. The proposed architecture offers a simple, parameter-neutral modification to DeepONets, delivering a robust and efficient spectral framework for surrogate modeling of PDEs on bounded domains.

Energy-based models trained on evolutionary data can now generate novel protein sequences with custom functions [38]. A crucial, yet poorly understood, step in these successes is the use of an artificially low sampling "temperature" to produce functional sequences from the trained model. This adjustment is often the deciding factor between generating functional enzymes and inert polypeptides. A fundamental question arises as to what necessitates temperature tuning and what it reveals about the space of functional proteins and the limits of the models trained on finite data. Temperature tuning is a broadly used heuristic across machine learning contexts, used to improve training [16, 33, 34], generalization/generative performance [14, 45, 47, 48], and energy-landscape dynamics for memory retrieval [35]. It follows the basic intuition that one can navigate the trade-off between fidelity (producing believable, high-probability outputs at low temperature) and diversity (exploring a wide range of novel outputs at high temperature). Despite its widespread use, this practice lacks a principled, quantitative explanation and has not been systematically connected to known issues of the fitting procedure--particularly how it connects to fundamental limits in the learning process, such as biases introduced by training on finite data [5, 9, 10, 21, 22, 41].

Graph-based Retrieval-Augmented Generation (GraphRAG) enhances Large Language Models (LLMs) by incorporating external knowledge from linearized subgraphs retrieved from knowledge graphs. However, LLMs struggle to interpret the relational and topological information in these inputs, resulting in hallucinations that are inconsistent with the retrieved knowledge. To analyze how LLMs attend to and retain structured knowledge during generation, we propose two lightweight interpretability metrics: Path Reliance Degree (PRD), which measures over-reliance on shortest-path triples, and Semantic Alignment Score (SAS), which assesses how well the model's internal representations align with the retrieved knowledge. Through empirical analysis on a knowledge-based QA task, we identify failure patterns associated with over-reliance on salient paths and weak semantic grounding, as indicated by high PRD and low SAS scores. We further develop a lightweight post-hoc hallucination detector, Graph Grounding and Alignment (GGA), which outperforms strong semantic and confidence-based baselines across AUC and F1. By grounding hallucination analysis in mechanistic interpretability, our work offers insights into how structural limitations in LLMs contribute to hallucinations, informing the design of more reliable GraphRAG systems in the future.

Coronary angiography is the main tool for assessing coronary artery disease, but visual grading of stenosis is variable and only moderately related to ischaemia. Wire based fractional flow reserve (FFR) improves lesion selection but is not used systematically. Angiography derived indices such as quantitative flow ratio (QFR) offer wire free physiology, yet many tools are workflow intensive and separate from automated anatomy analysis and virtual PCI planning. We developed AngioAI-QFR, an end to end angiography only pipeline combining deep learning stenosis detection, lumen segmentation, centreline and diameter extraction, per millimetre Relative Flow Capacity profiling, and virtual stenting with automatic recomputation of angiography derived QFR. The system was evaluated in 100 consecutive vessels with invasive FFR as reference. Primary endpoints were agreement with FFR (correlation, mean absolute error) and diagnostic performance for FFR <= 0.80. On held out frames, stenosis detection achieved precision 0.97 and lumen segmentation Dice 0.78. Across 100 vessels, AngioAI-QFR correlated strongly with FFR (r = 0.89, MAE 0.045). The AUC for detecting FFR <= 0.80 was 0.93, with sensitivity 0.88 and specificity 0.86. The pipeline completed fully automatically in 93 percent of vessels, with median time to result 41 s. RFC profiling distinguished focal from diffuse capacity loss, and virtual stenting predicted larger QFR gain in focal than in diffuse disease. AngioAI-QFR provides a practical, near real time pipeline that unifies computer vision, functional profiling, and virtual PCI with automated angiography derived physiology.

This paper presents a formal, categorical framework for analysing how humans and large language models (LLMs) transform content into truth-evaluated propositions about a state space of possible worlds W , in order to argue that LLMs do not solve but circumvent the symbol grounding problem.

Agentic AI systems built on large language models (LLMs) offer significant potential for automating complex workflows, from software development to customer support. However, LLM agents often underperform due to suboptimal configurations; poorly tuned prompts, tool descriptions, and parameters that typically require weeks of manual refinement. Existing optimization methods either are too complex for general use or treat components in isolation, missing critical interdependencies. We present ARTEMIS, a no-code evolutionary optimization platform that jointly optimizes agent configurations through semantically-aware genetic operators. Given only a benchmark script and natural language goals, ARTEMIS automatically discovers configurable components, extracts performance signals from execution logs, and evolves configurations without requiring architectural modifications. We evaluate ARTEMIS on four representative agent systems: the \emph{ALE Agent} for competitive programming on AtCoder Heuristic Contest, achieving a \textbf{$13.6\%$ improvement} in acceptance rate; the \emph{Mini-SWE Agent} for code optimization on SWE-Perf, with a statistically significant \textbf{10.1\% performance gain}; and the \emph{CrewAI Agent} for cost and mathematical reasoning on Math Odyssey, achieving a statistically significant \textbf{$36.9\%$ reduction} in the number of tokens required for evaluation. We also evaluate the \emph{MathTales-Teacher Agent} powered by a smaller open-source model (Qwen2.5-7B) on GSM8K primary-level mathematics problems, achieving a \textbf{22\% accuracy improvement} and demonstrating that ARTEMIS can optimize agents based on both commercial and local models.

Cognitive trust and the belief that a robot is capable of accurately performing tasks, are recognized as central factors in fostering high-quality human-robot interactions. It is well established that performance factors such as the robot's competence and its reliability shape cognitive trust. Recent studies suggest that affective factors, such as robotic attentiveness, also play a role in building cognitive trust. This work explores the interplay between these two factors that shape cognitive trust. Specifically, we evaluated whether different combinations of robotic competence and attentiveness introduce a compensatory mechanism, where one factor compensates for the lack of the other. In the experiment, participants performed a search task with a robotic dog in a 2x2 experimental design that included two factors: competence (high or low) and attentiveness (high or low). The results revealed that high attentiveness can compensate for low competence. Participants who collaborated with a highly attentive robot that performed poorly reported trust levels comparable to those working with a highly competent robot. When the robot did not demonstrate attentiveness, low competence resulted in a substantial decrease in cognitive trust. The findings indicate that building cognitive trust in human-robot interaction may be more complex than previously believed, involving emotional processes that are typically overlooked. We highlight an affective compensatory mechanism that adds a layer to consider alongside traditional competence-based models of cognitive trust.

Data attribution methods identify which training examples are responsible for a model's predictions, but their sensitivity to distributional perturbations undermines practical reliability. We present a unified framework for certified robust attribution that extends from convex models to deep networks. For convex settings, we derive Wasserstein-Robust Influence Functions (W-RIF) with provable coverage guarantees. For deep networks, we demonstrate that Euclidean certification is rendered vacuous by spectral amplification -- a mechanism where the inherent ill-conditioning of deep representations inflates Lipschitz bounds by over $10{,}000\times$. This explains why standard TRAK scores, while accurate point estimates, are geometrically fragile: naive Euclidean robustness analysis yields 0\% certification. Our key contribution is the Natural Wasserstein metric, which measures perturbations in the geometry induced by the model's own feature covariance. This eliminates spectral amplification, reducing worst-case sensitivity by $76\times$ and stabilizing attribution estimates. On CIFAR-10 with ResNet-18, Natural W-TRAK certifies 68.7\% of ranking pairs compared to 0\% for Euclidean baselines -- to our knowledge, the first non-vacuous certified bounds for neural network attribution. Furthermore, we prove that the Self-Influence term arising from our analysis equals the Lipschitz constant governing attribution stability, providing theoretical grounding for leverage-based anomaly detection. Empirically, Self-Influence achieves 0.970 AUROC for label noise detection, identifying 94.1\% of corrupted labels by examining just the top 20\% of training data.