arXiv:2511.02531v1 Announce Type: cross Abstract: Healthcare artificial intelligence systems routinely fail when deployed across institutions, with documented performance drops and perpetuation of discriminatory patterns embedded in historical data. This brittleness stems, in part, from learning statistical associations rather than causal mechanisms. Causal graph neural networks address this triple crisis of distribution shift, discrimination, and inscrutability by combining graph-based representations of biomedical data with causal inference principles to learn invariant mechanisms rather than spurious correlations. This Review examines methodological foundations spanning structural causal models, disentangled causal representation learning, and techniques for interventional prediction and counterfactual reasoning on graphs. We analyse applications demonstrating clinical value across psychiatric diagnosis through brain network analysis, cancer subtyping via multi-omics causal integration, continuous physiological monitoring with mechanistic interpretation, and drug recommendation correcting prescription bias. These advances establish foundations for patient-specific Causal Digital Twins, enabling in silico clinical experimentation, with integration of large language models for hypothesis generation and causal graph neural networks for mechanistic validation. Substantial barriers remain, including computational requirements precluding real-time deployment, validation challenges demanding multi-modal evidence triangulation beyond cross-validation, and risks of causal-washing where methods employ causal terminology without rigorous evidentiary support. We propose tiered frameworks distinguishing causally-inspired architectures from causally-validated discoveries and identify critical research priorities making causal rather than purely associational claims.

arXiv:2511.02802v1 Announce Type: cross Abstract: Tabular foundation models represent a growing paradigm in structured data learning, extending the benefits of large-scale pretraining to tabular domains. However, their adoption remains limited due to heterogeneous preprocessing pipelines, fragmented APIs, inconsistent fine-tuning procedures, and the absence of standardized evaluation for deployment-oriented metrics such as calibration and fairness. We present TabTune, a unified library that standardizes the complete workflow for tabular foundation models through a single interface. TabTune provides consistent access to seven state-of-the-art models supporting multiple adaptation strategies, including zero-shot inference, meta-learning, supervised fine-tuning (SFT), and parameter-efficient fine-tuning (PEFT). The framework automates model-aware preprocessing, manages architectural heterogeneity internally, and integrates evaluation modules for performance, calibration, and fairness. Designed for extensibility and reproducibility, TabTune enables consistent benchmarking of adaptation strategies of tabular foundation models. The library is open source and available at https://github.com/Lexsi-Labs/TabTune .

arXiv:2510.09801v2 Announce Type: replace Abstract: LLM-powered agents are both a promising new technology and a source of complexity, where choices about models, tools, and prompting can affect their usefulness. While numerous benchmarks measure agent accuracy across domains, they mostly assume full automation, failing to represent the collaborative nature of real-world use cases. In this paper, we make two major steps towards the rigorous assessment of human-agent interactions. First, we propose PULSE, a framework for more efficient human-centric evaluation of agent designs, which comprises collecting user feedback, training an ML model to predict user satisfaction, and computing results by combining human satisfaction ratings with model-generated pseudo-labels. Second, we deploy the framework on a large-scale web platform built around the open-source software agent OpenHands, collecting in-the-wild usage data across over 15k users. We conduct case studies around how three agent design decisions -- choice of LLM backbone, planning strategy, and memory mechanisms -- impact developer satisfaction rates, yielding practical insights for software agent design. We also show how our framework can lead to more robust conclusions about agent design, reducing confidence intervals by 40% compared to a standard A/B test. Finally, we find substantial discrepancies between in-the-wild results and benchmark performance (e.g., the anti-correlation between results comparing claude-sonnet-4 and gpt-5), underscoring the limitations of benchmark-driven evaluation. Our findings provide guidance for evaluations of LLM agents with humans and identify opportunities for better agent designs.

arXiv:2504.04365v5 Announce Type: replace-cross Abstract: The performance of large language models (LLMs) depends on how they are prompted, with choices spanning both the high-level prompting pattern (e.g., Zero-Shot, CoT, ReAct, ReWOO) and the specific prompt content (instructions and few-shot demonstrations). Manually tuning this combination is tedious, error-prone, and specific to a given LLM and task. Therefore, this paper proposes AutoPDL, an automated approach to discovering good LLM agent configurations. Our approach frames this as a structured AutoML problem over a combinatorial space of agentic and non-agentic prompting patterns and demonstrations, using successive halving to efficiently navigate this space. We introduce a library implementing common prompting patterns using the PDL prompt programming language. AutoPDL solutions are human-readable, editable, and executable PDL programs that use this library. This approach also enables source-to-source optimization, allowing human-in-the-loop refinement and reuse. Evaluations across three tasks and seven LLMs (ranging from 3B to 70B parameters) show consistent accuracy gains ($9.21\pm15.46$ percentage points), up to 67.5pp, and reveal that selected prompting strategies vary across models and tasks.

arXiv:2511.00209v1 Announce Type: cross Abstract: Diffusion models have emerged as a leading framework in generative modeling, showing significant potential to accelerate and transform the traditionally slow and costly process of drug discovery. This review provides a systematic comparison of their application in designing two principal therapeutic modalities: small molecules and therapeutic peptides. We analyze how a unified framework of iterative denoising is adapted to the distinct molecular representations, chemical spaces, and design objectives of each modality. For small molecules, these models excel at structure-based design, generating novel, pocket-fitting ligands with desired physicochemical properties, yet face the critical hurdle of ensuring chemical synthesizability. Conversely, for therapeutic peptides, the focus shifts to generating functional sequences and designing de novo structures, where the primary challenges are achieving biological stability against proteolysis, ensuring proper folding, and minimizing immunogenicity. Despite these distinct challenges, both domains face shared hurdles: the need for more accurate scoring functions, the scarcity of high-quality experimental data, and the crucial requirement for experimental validation. We conclude that the full potential of diffusion models will be unlocked by bridging these modality-specific gaps and integrating them into automated, closed-loop Design-Build-Test-Learn (DBTL) platforms, thereby shifting the paradigm from chemical exploration to the targeted creation of novel therapeutics.

arXiv:2510.19755v3 Announce Type: replace-cross Abstract: Diffusion Models have become a cornerstone of modern generative AI for their exceptional generation quality and controllability. However, their inherent \textit{multi-step iterations} and \textit{complex backbone networks} lead to prohibitive computational overhead and generation latency, forming a major bottleneck for real-time applications. Although existing acceleration techniques have made progress, they still face challenges such as limited applicability, high training costs, or quality degradation. Against this backdrop, \textbf{Diffusion Caching} offers a promising training-free, architecture-agnostic, and efficient inference paradigm. Its core mechanism identifies and reuses intrinsic computational redundancies in the diffusion process. By enabling feature-level cross-step reuse and inter-layer scheduling, it reduces computation without modifying model parameters. This paper systematically reviews the theoretical foundations and evolution of Diffusion Caching and proposes a unified framework for its classification and analysis. Through comparative analysis of representative methods, we show that Diffusion Caching evolves from \textit{static reuse} to \textit{dynamic prediction}. This trend enhances caching flexibility across diverse tasks and enables integration with other acceleration techniques such as sampling optimization and model distillation, paving the way for a unified, efficient inference framework for future multimodal and interactive applications. We argue that this paradigm will become a key enabler of real-time and efficient generative AI, injecting new vitality into both theory and practice of \textit{Efficient Generative Intelligence}.

Generative artificial intelligence (GenAI) enables the production of coherent and contextually relevant text by processing large-scale linguistic datasets. Tools such as ChatGPT, Gemini, Claude, and LLaMA are increasingly integrated into medical education, assisting students with a range of tasks, including clinical reasoning, literature review, scientific writing, and formative assessment. Although these tools offer significant advantages in terms of productivity, personalization, and cognitive support, their impact on critical thinking—a cornerstone of medical education—remains uncertain. The aim of this viewpoint paper is to critically assess the influence of GenAI on critical thinking within medical training, examining both its potential to enhance cognitive skills and the risks it poses to cognitive autonomy. Users have reported increased efficiency and improved linguistic output; however, concerns have also been raised regarding the risk of cognitive overreliance. Current evidence presents a mixed picture, indicating both improvements in learner engagement and potential drawbacks such as passivity or susceptibility to misinformation. Without curricular integration that prioritizes ethical use, prompt engineering, and critical evaluation, GenAI may compromise the cognitive autonomy of medical students. Conversely, when thoughtfully embedded into pedagogical frameworks, these tools can act as cognitive enhancers—supporting, rather than replacing, clinical reasoning. Medical education must adapt to ensure that future physicians engage with GenAI in a critical, ethical, and context-aware manner, especially in complex decision-making scenarios. This transformation demands not only technological fluency but also reflective practice and sustained oversight by faculty and academic institutions.

arXiv:2510.26887v1 Announce Type: new Abstract: We present Denario, an AI multi-agent system designed to serve as a scientific research assistant. Denario can perform many different tasks, such as generating ideas, checking the literature, developing research plans, writing and executing code, making plots, and drafting and reviewing a scientific paper. The system has a modular architecture, allowing it to handle specific tasks, such as generating an idea, or carrying out end-to-end scientific analysis using Cmbagent as a deep-research backend. In this work, we describe in detail Denario and its modules, and illustrate its capabilities by presenting multiple AI-generated papers generated by it in many different scientific disciplines such as astrophysics, biology, biophysics, biomedical informatics, chemistry, material science, mathematical physics, medicine, neuroscience and planetary science. Denario also excels at combining ideas from different disciplines, and we illustrate this by showing a paper that applies methods from quantum physics and machine learning to astrophysical data. We report the evaluations performed on these papers by domain experts, who provided both numerical scores and review-like feedback. We then highlight the strengths, weaknesses, and limitations of the current system. Finally, we discuss the ethical implications of AI-driven research and reflect on how such technology relates to the philosophy of science. We publicly release the code at https://github.com/AstroPilot-AI/Denario. A Denario demo can also be run directly on the web at https://huggingface.co/spaces/astropilot-ai/Denario, and the full app will be deployed on the cloud.

arXiv:2510.27051v1 Announce Type: new Abstract: Enterprise AI agents must continuously adapt to maintain accuracy, reduce latency, and remain aligned with user needs. We present a practical implementation of a data flywheel in NVInfo AI, NVIDIA's Mixture-of-Experts (MoE) Knowledge Assistant serving over 30,000 employees. By operationalizing a MAPE-driven data flywheel, we built a closed-loop system that systematically addresses failures in retrieval-augmented generation (RAG) pipelines and enables continuous learning. Over a 3-month post-deployment period, we monitored feedback and collected 495 negative samples. Analysis revealed two major failure modes: routing errors (5.25\%) and query rephrasal errors (3.2\%). Using NVIDIA NeMo microservices, we implemented targeted improvements through fine-tuning. For routing, we replaced a Llama 3.1 70B model with a fine-tuned 8B variant, achieving 96\% accuracy, a 10x reduction in model size, and 70\% latency improvement. For query rephrasal, fine-tuning yielded a 3.7\% gain in accuracy and a 40\% latency reduction. Our approach demonstrates how human-in-the-loop (HITL) feedback, when structured within a data flywheel, transforms enterprise AI agents into self-improving systems. Key learnings include approaches to ensure agent robustness despite limited user feedback, navigating privacy constraints, and executing staged rollouts in production. This work offers a repeatable blueprint for building robust, adaptive enterprise AI agents capable of learning from real-world usage at scale.

arXiv:2510.27176v1 Announce Type: new Abstract: Can an AI autonomously design mechanisms for computer systems on par with the creativity and reasoning of human experts? We present Glia, an AI architecture for networked systems design that uses large language models (LLMs) in a human-inspired, multi-agent workflow. Each agent specializes in reasoning, experimentation, and analysis, collaborating through an evaluation framework that grounds abstract reasoning in empirical feedback. Unlike prior ML-for-systems methods that optimize black-box policies, Glia generates interpretable designs and exposes its reasoning process. When applied to a distributed GPU cluster for LLM inference, it produces new algorithms for request routing, scheduling, and auto-scaling that perform at human-expert levels in significantly less time, while yielding novel insights into workload behavior. Our results suggest that by combining reasoning LLMs with structured experimentation, an AI can produce creative and understandable designs for complex systems problems.

arXiv:2510.27353v1 Announce Type: new Abstract: Recent studies have suggested that Large Language Models (LLMs) could provide interesting ideas contributing to mathematical discovery. This claim was motivated by reports that LLM-based genetic algorithms produced heuristics offering new insights into the online bin packing problem under uniform and Weibull distributions. In this work, we reassess this claim through a detailed analysis of the heuristics produced by LLMs, examining both their behavior and interpretability. Despite being human-readable, these heuristics remain largely opaque even to domain experts. Building on this analysis, we propose a new class of algorithms tailored to these specific bin packing instances. The derived algorithms are significantly simpler, more efficient, more interpretable, and more generalizable, suggesting that the considered instances are themselves relatively simple. We then discuss the limitations of the claim regarding LLMs' contribution to this problem, which appears to rest on the mistaken assumption that the instances had previously been studied. Our findings instead emphasize the need for rigorous validation and contextualization when assessing the scientific value of LLM-generated outputs.

arXiv:2510.27617v1 Announce Type: new Abstract: Automation of Register Transfer Level (RTL) design can help developers meet increasing computational demands. Large Language Models (LLMs) show promise for Hardware Description Language (HDL) generation, but face challenges due to limited parametric knowledge and domain-specific constraints. While prompt engineering and fine-tuning have limitations in knowledge coverage and training costs, multi-agent architectures offer a training-free paradigm to enhance reasoning through collaborative generation. However, current multi-agent approaches suffer from two critical deficiencies: susceptibility to noise propagation and constrained reasoning space exploration. We propose VeriMoA, a training-free mixture-of-agents (MoA) framework with two synergistic innovations. First, a quality-guided caching mechanism to maintain all intermediate HDL outputs and enables quality-based ranking and selection across the entire generation process, encouraging knowledge accumulation over layers of reasoning. Second, a multi-path generation strategy that leverages C++ and Python as intermediate representations, decomposing specification-to-HDL translation into two-stage processes that exploit LLM fluency in high-resource languages while promoting solution diversity. Comprehensive experiments on VerilogEval 2.0 and RTLLM 2.0 benchmarks demonstrate that VeriMoA achieves 15--30% improvements in Pass@1 across diverse LLM backbones, especially enabling smaller models to match larger models and fine-tuned alternatives without requiring costly training.

arXiv:2510.26812v1 Announce Type: cross Abstract: Clinical decision support systems (CDSS) are used to improve clinical and service outcomes, yet evidence from low- and middle-income countries (LMICs) is dispersed. This protocol outlines methods to quantify the impact of CDSS on patient and healthcare delivery outcomes in LMICs. We will include comparative quantitative designs (randomized trials, controlled before-after, interrupted time series, comparative cohorts) evaluating CDSS in World Bank-defined LMICs. Standalone qualitative studies are excluded; mixed-methods studies are eligible only if they report comparative quantitative outcomes, for which we will extract the quantitative component. Searches (from inception to 30 September 2024) will cover MEDLINE, Embase, CINAHL, CENTRAL, Web of Science, Global Health, Scopus, IEEE Xplore, LILACS, African Index Medicus, and IndMED, plus grey sources. Screening and extraction will be performed in duplicate. Risk of bias will be assessed with RoB 2 (randomized trials) and ROBINS-I (non-randomized). Random-effects meta-analysis will be performed where outcomes are conceptually or statistically comparable; otherwise, a structured narrative synthesis will be presented. Heterogeneity will be explored using relative and absolute metrics and a priori subgroups or meta-regression (condition area, care level, CDSS type, readiness proxies, study design).

arXiv:2510.26969v1 Announce Type: cross Abstract: We introduce a methodology for the identification of notifiable events in the domain of healthcare. The methodology harnesses semantic frames to define fine-grained patterns and search them in unstructured data, namely, open-text fields in e-medical records. We apply the methodology to the problem of underreporting of gender-based violence (GBV) in e-medical records produced during patients' visits to primary care units. A total of eight patterns are defined and searched on a corpus of 21 million sentences in Brazilian Portuguese extracted from e-SUS APS. The results are manually evaluated by linguists and the precision of each pattern measured. Our findings reveal that the methodology effectively identifies reports of violence with a precision of 0.726, confirming its robustness. Designed as a transparent, efficient, low-carbon, and language-agnostic pipeline, the approach can be easily adapted to other health surveillance contexts, contributing to the broader, ethical, and explainable use of NLP in public health systems.

arXiv:2510.27163v1 Announce Type: cross Abstract: Before deploying an AI system to replace an existing process, it must be compared with the incumbent to ensure improvement without added risk. Traditional evaluation relies on ground truth for both systems, but this is often unavailable due to delayed or unknowable outcomes, high costs, or incomplete data, especially for long-standing systems deemed safe by convention. The more practical solution is not to compute absolute risk but the difference between systems. We therefore propose a marginal risk assessment framework, that avoids dependence on ground truth or absolute risk. It emphasizes three kinds of relative evaluation methodology, including predictability, capability and interaction dominance. By shifting focus from absolute to relative evaluation, our approach equips software teams with actionable guidance: identifying where AI enhances outcomes, where it introduces new risks, and how to adopt such systems responsibly.

arXiv:2510.27196v1 Announce Type: cross Abstract: The proliferation of memes on social media necessitates the capabilities of multimodal Large Language Models (mLLMs) to effectively understand multimodal harmfulness. Existing evaluation approaches predominantly focus on mLLMs' detection accuracy for binary classification tasks, which often fail to reflect the in-depth interpretive nuance of harmfulness across diverse contexts. In this paper, we propose MemeArena, an agent-based arena-style evaluation framework that provides a context-aware and unbiased assessment for mLLMs' understanding of multimodal harmfulness. Specifically, MemeArena simulates diverse interpretive contexts to formulate evaluation tasks that elicit perspective-specific analyses from mLLMs. By integrating varied viewpoints and reaching consensus among evaluators, it enables fair and unbiased comparisons of mLLMs' abilities to interpret multimodal harmfulness. Extensive experiments demonstrate that our framework effectively reduces the evaluation biases of judge agents, with judgment results closely aligning with human preferences, offering valuable insights into reliable and comprehensive mLLM evaluations in multimodal harmfulness understanding. Our code and data are publicly available at https://github.com/Lbotirx/MemeArena.

arXiv:2510.27287v1 Announce Type: cross Abstract: Enterprise systems are crucial for enhancing productivity and decision-making among employees and customers. Integrating LLM based systems into enterprise systems enables intelligent automation, personalized experiences, and efficient information retrieval, driving operational efficiency and strategic growth. However, developing and evaluating such systems is challenging due to the inherent complexity of enterprise environments, where data is fragmented across multiple sources and governed by sophisticated access controls. We present EnterpriseBench, a comprehensive benchmark that simulates enterprise settings, featuring 500 diverse tasks across software engineering, HR, finance, and administrative domains. Our benchmark uniquely captures key enterprise characteristics including data source fragmentation, access control hierarchies, and cross-functional workflows. Additionally, we provide a novel data generation pipeline that creates internally consistent enterprise tasks from organizational metadata. Experiments with state-of-the-art LLM agents demonstrate that even the most capable models achieve only 41.8% task completion, highlighting significant opportunities for improvement in enterprise-focused AI systems.

arXiv:2510.27629v1 Announce Type: cross Abstract: Open-weight bio-foundation models present a dual-use dilemma. While holding great promise for accelerating scientific research and drug development, they could also enable bad actors to develop more deadly bioweapons. To mitigate the risk posed by these models, current approaches focus on filtering biohazardous data during pre-training. However, the effectiveness of such an approach remains unclear, particularly against determined actors who might fine-tune these models for malicious use. To address this gap, we propose \eval, a framework to evaluate the robustness of procedures that are intended to reduce the dual-use capabilities of bio-foundation models. \eval assesses models' virus understanding through three lenses, including sequence modeling, mutational effects prediction, and virulence prediction. Our results show that current filtering practices may not be particularly effective: Excluded knowledge can be rapidly recovered in some cases via fine-tuning, and exhibits broader generalizability in sequence modeling. Furthermore, dual-use signals may already reside in the pretrained representations, and can be elicited via simple linear probing. These findings highlight the challenges of data filtering as a standalone procedure, underscoring the need for further research into robust safety and security strategies for open-weight bio-foundation models.

arXiv:2410.22377v3 Announce Type: replace-cross Abstract: In recent years, spatio-temporal graph neural networks (GNNs) have attracted considerable interest in the field of time series analysis, due to their ability to capture, at once, dependencies among variables and across time points. The objective of this systematic literature review is hence to provide a comprehensive overview of the various modeling approaches and application domains of GNNs for time series classification and forecasting. A database search was conducted, and 366 papers were selected for a detailed examination of the current state-of-the-art in the field. This examination is intended to offer to the reader a comprehensive review of proposed models, links to related source code, available datasets, benchmark models, and fitting results. All this information is hoped to assist researchers in their studies. To the best of our knowledge, this is the first and broadest systematic literature review presenting a detailed comparison of results from current spatio-temporal GNN models applied to different domains. In its final part, this review discusses current limitations and challenges in the application of spatio-temporal GNNs, such as comparability, reproducibility, explainability, poor information capacity, and scalability. This paper is complemented by a GitHub repository at https://github.com/FlaGer99/SLR-Spatio-Temporal-GNN.git providing additional interactive tools to further explore the presented findings.