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Twelve quick tips for designing AI-driven HPC workflows

High-performance computing (HPC) clusters remain the backbone of large-scale scientific computation, traditionally executing deterministic, linear pipelines optimised for predictable performance. However, the pervasive integration of artificial intelligence (AI) and foundation models into scientific research has introduced a fundamentally new computational paradigm. AI-driven workflows are characteristically iterative, data-driven, and probabilistic, introducing unique challenges regarding data gravity, heterogeneous resource management, and complex workflow orchestration. This guide provides twelve practical tips designed to help researchers design efficient, scalable, and reproducible AI-driven HPC workflows. By addressing critical system-level bottlenecks - such as containerisation for environment portability, strategic deployment of job arrays, explicit feedback loop mechanics, and I/O optimisation for small files - this article offers a framework for transitioning from rigid execution pipelines to adaptive, intelligent computational environments. While these architectural principles are broadly applicable across distributed environments, they are particularly tailored to the resource-intensive throughput demands of modern computational biology.

cs.DC

Delegating Before Learning: Where Generative AI Sits in Students' Professional Communication

We conducted an interview study with twelve students on their use of generative AI in academic communication. Students delegated professional messages to AI most where the pressure to sound professional is highest: email to instructors and administrators. AI involvement ranged from correcting the writer's own text to working out and writing the message outright, and students checked AI-written text against two criteria: whether it looks like AI and whether it sounds like them. Building on these findings, we model the AI-mediated process of writing a student--instructor email at the highest level of involvement we observed, and compare it with an unaided model of writing the same messages, built from participants' accounts and a classic model of the writing process. Three differences emerge: the learning loop that builds writing skill is removed, the message is no longer written for its specific recipient, and the confidence a successful exchange returns goes to using the system rather than to the writer's own ability. From these differences we derive two risks, that individual capacities never form and that authenticity and trust in communication become work. Design can respond to both but is unlikely to be enough, so the risks also need research and policy attention.

cs.HC

Skills for the future software profession: beyond agentic AI!

As coding agents are rapidly changing software engineering, a natural question is: what are the core skills needed by future software engineers? To identify where software engineering is headed and thus what skills will be needed, we summarize the results of two round-tables with researchers and industrial practitioners, held in 2026 in New York and Singapore. One key finding is that verification and validation is increasing in importance as agents handle implementation, as highlighted by anecdotes from the events. From our observations, we identify the skills developers need in the agentic era of development, with implications for training and educating future software engineers in coming years.

cs.SE

Measuring Similarity between Artistic and AI Generated Images using Siamese Neural Networks

AI-generated art has sparked debates around potential plagiarism, as these images may closely resemble existing artworks. This research quantifies the similarity between original pieces and AI-generated counterparts, particularly those produced by the Stable Diffusion XL Refiner 1.0. We use Siamese Networks with frozen CLIP encoders and cosine similarity optimized through triplet loss. A dataset of paired original and generated images was built using image-to-image generation and custom prompts, enriched with semantic descriptors and BLIP-2 captions. Prior studies report up to 81\% style replication and 90\% visual similarity. Our results show high discriminative performance: training accuracy reached 99.9\%, and the best model configuration achieved 99.4\% test accuracy with strong inter-class separation ($δμ$ = 0.677), demonstrating the effectiveness of our semantic-visual embeddings.

cs.CV

A Generalized Optimization Engine (GOE) for Edge AI Inference Acceleration

Artificial intelligence (AI) models have demonstrated remarkable capabilities across various domains, yet their widespread deployment is impeded by significant computational costs, particularly on resource-constrained devices. This paper explores the theoretical underpinnings of various AI model optimization techniques, algorithms, and abstractions, discussing their potential to reduce computational complexity, memory footprint, latency, and power consumption. Furthermore, we propose a comprehensive hardware (HW) and model-agnostic generalized optimization architecture that integrates these techniques for improved efficiency. Our study underscores the critical role of such a generalized optimization system in preparing model deployment over resource-constrained heterogeneous hardware in a tactical environment. As a concrete demonstration, we show that GOE-compressed language models deploy and run on a GPU-less edge CPU, and that the choice of compression method, not merely its nominal bit-width, determines whether task accuracy survives deployment.

cs.AI

PeopleSearchBench: Evaluating AI-Powered People Search Platforms with Criteria-Grounded Verification

AI-powered people search platforms are increasingly deployed for recruiting, sales prospecting, and professional networking, yet no standardized benchmark exists for their rigorous evaluation. We present PeopleSearchBench, an open-source benchmark comprising 119 multilingual queries across four scenarios: corporate recruiting, B2B sales prospecting, expert search, and influencer discovery. A central contribution is Criteria-Grounded Verification, an evaluation methodology that decomposes each query into explicit, independently checkable criteria and verifies each returned individual via live web search, producing factual relevance judgments rather than subjective LLM-as-judge scores (Cohen's kappa = 0.84 with human annotators). We evaluate four architecturally diverse platforms along three complementary dimensions---Relevance Precision, Effective Coverage, and Information Utility---and find that multi-source search agents significantly outperform single-domain systems, particularly in influencer discovery where the performance gap is largest. Platform rankings are robust across ablations on scoring thresholds, dimension weights, and judge models. All code, queries, and evaluation prompts are publicly available.

cs.AI

A Statistical Audit of Physical AI Benchmark Redundancy

Physical AI models are evaluated on suites of benchmarks that differ across model reports, leaving the model-by-benchmark matrix sparse and the relationship between benchmarks unmeasured. We construct a matrix of 51 models on 12 physical AI benchmarks, selected from a registry of 51 benchmarks and 152 models by reporting density, combining scores from model cards and benchmark papers with our own evaluation runs under each benchmark's official protocol. We measure how much information the benchmarks share and show quantitative evidence of Redundancy. Redundancy affects reported rankings: collapsing the two substitute pairs into single columns moves 22 of 51 models by three or more places under an equally weighted average. We then select benchmarks greedily under a utility combining score dispersion with variance not explained by the already-selected set, and obtain a four-benchmark subset retaining 78.5\% of the utility of all 12, on which we fit a Bradley--Terry ranking. The procedure requires only benchmark-level scores with sufficient overlap and is not specific to physical AI.

cs.RO

AI as Teammate: Rethinking Task Distribution in Medical Training

Integrating Artificial Intelligence (AI), particularly generative AI, into medical training has prompted concerns about learner over-reliance, misuse, and erosion of foundational clinical competencies. We propose a conceptual reframing at the decision level: the problem is not misuse but misclassification - a mechanistic failure of real-time metacognitive evaluation in selecting a subzone-inappropriate AI interaction mode. Drawing on "SCAN" (Substitute, Complement, Aid, Non-Negotiable), a human-centric decision-making framework for generative AI task allocation grounded in Vygotsky's Zone of Proximal Development and metacognition, we advance the emerging social-constructivist conversation around AI in medical education by offering a testable account of AI's role in clinical reasoning development. This framework yields testable predictions for how misclassification can be detected, mitigated, and, more importantly, prevented in the clinical learning environment. Regarding clinical reasoning development, we show how trajectories of skill acquisition (upskilling) and failure (the triad of skill failure: de-skilling, never-skilling, and mis-skilling) operate at the individual task level in ways that fixed-phase, cohort-wide treatments fail to capture. We further identify passive engagement within correctly classified AI-scaffolded tasks as a particularly insidious, detection-resistant pathway to mis-skilling - one requiring subzone re-identification from AI assistance to expert assistance, with human experts serving as epistemic auditors. The paper operationalizes SCAN for clinical curriculum design, supervision, and assessment, and opens an empirical research agenda grounded in cognitive science. This paradigm shift from misuse to misclassification is not semantic: it offers educators a clear perspective on what to look for, what to assess, and what to intervene on.

cs.HC

Evaluating LLM-based AI agents integrated with materials synthesis tools: the case of atomic layer deposition

This work provides an overview of the different strategies that can be used to evaluate the performance of AI models and agents based on large language models (LLMs) for materials synthesis. After providing a brief overview of the key technologies behind the current generation of AI agents based on LLMs, we summarize the different approaches to evaluating these models in the context of materials science and in particular on materials synthesis, with a specific emphasis on scenarios in which the models are directly integrated with experimental tools. We discuss evaluation strategies spanning knowledge and reasoning benchmarks, tool-use benchmarks, and closed loop benchmarks involving the interaction with experimental systems or realistic virtual tools. We use atomic layer deposition (ALD) as a case study, emphasizing how existing approaches in the literature both build from general approaches used beyond materials science and can be generalized to other materials synthesis techniques. Finally, we provide a practical evaluation framework to evaluate LLMs in the context of materials synthesis

cond-mat.mtrl-sci

Augmenting software engineering with AI - The ai4se taxonomy and its use

Although model-driven software engineering (MDSE) has proven effective in managing complex systems, its industrial adoption remains limited by the substantial maintenance overhead required for models and the specialised skills demanded of developers. Meanwhile, advances in artificial intelligence (AI), particularly generative and agentic AI, have shown great promise in automating code-related tasks such as comprehension, generation, and defect detection. These capabilities are largely powered by 'big code': vast repositories of open-source software that now form the basis of data-driven, empirical SE and automated quality assurance. This paper aims to synthesise these two domains by exploring the integration of AI into model-driven practices. It provides a comprehensive overview of the current state of AI-augmented software engineering and introduces a novel taxonomy 'ai4se' to classify and connect diverse AI applications within the field. On this basis, the paper proposes a vision for 'big models' in software engineering (SE), an approach designed to leverage the structural advantages of MDSE alongside the scalability of AI. Finally, the paper discusses the pair modelling paradigm as a collaborative framework for the MDSE industry, designed to enhance software quality through human-AI partnership.

cs.SE

Experts Disagree on How to Fight AI Disinformation, but Agree That Health and Politics Need Different Solutions

When 54 international experts assessed AI-generated disinformation threats, they revealed a surprising pattern: while video deepfakes received the highest average threat ratings in the political domain (M = 6.31/7), the pattern differed in the health domain, where AI-generated text received the highest average rating (M = 5.80). Experts also diverge on what to do: government regulation drew both the most "most effective" (30%) and the most "least effective" (15%) votes, though rating distributions were contested rather than polarized, indicating disagreement over priorities rather than over efficacy. These findings offer an initial expert map of an AI-disinformation landscape that is still rapidly forming.

cs.CY

The Race between Agentic AI Capabilities and Data Quality Control in Online Surveys

Online surveys are a foundational data collection instrument in a variety of fields, with attention checks serving as critical guardians of response quality. However, the rapid emergence of agentic AI (goal directed systems powered by a large language model (LLM) brain and/or a multimodal processing unit with tool-augmented capabilities) raises new questions about the robustness of these safeguards. We investigate how well agentic AI architectures can complete web-based surveys and pass standard attention checks. We evaluate a single-agent architecture capable of multimodal input processing and tool-based web interaction on a controlled survey sandbox. We analyze the problem from two perspectives. From an attack perspective, we demonstrate how structural vulnerabilities such as exposed DOM metadata and predictable option encoding allow agents to resolve attention checks through structured parsing only. From a defense perspective, we implement a mitigation strategy of DOM metadata obfuscation to remove semantic cues in text-based questions. We evaluate multiple open-source language and multimodal models to study capability and orchestration effectiveness. Based on our evaluations, we offer perspectives on how to simultaneously meet the needs of empiricists and agentic AI researchers.

cs.AI

The Policy Deficit in AI x Social-Emotional Learning Research

As artificial intelligence (AI) is increasingly integrated into social-emotional learning (SEL) initiatives, the need for evidence-based policy has become paramount. We systematically reviewed 65 peer-reviewed papers that examine the intersection of AI and SEL to investigate how these studies articulate policy implications. Our analysis revealed a substantial "policy deficit" in the current AI x SEL literature: nearly three-quarters of the studies did not mention policy implications at all. Using the "WH-question" framework (Who, What, Why, When/Where, and How), we map the policy implications narratives present in the literature and show that they often lack the specificity and actor-oriented guidance required for effective evidence-informed policymaking. We find a significant association between publication venue and policy engagement, suggesting that current academic incentive structures may prioritize technical innovation and pedagogical feasibility over explicit engagement with governance and regulation. This study identifies a "techno-solutionist" trap, where technical potential is foregrounded while the institutional conditions for responsible implementation remain under-specified. We conclude by proposing a shift from "implication-as-afterthought" to "implication-as-methodology" and offer a set of actionable guidelines for researchers, editors, reviewers, and policymakers to bridge the gap between AI innovation and educational governance. Rather than presenting policy as a generic ethical horizon, we argue that AI-SEL studies should systematically specify Who should act, What actions are recommended, Why these actions are needed, When and Where they apply, and How strongly they are framed, thereby strengthening the translation of AI x SEL innovation into educational policy and practice.

cs.HC

AgentRx: Diagnosing AI Agent Failures from Execution Trajectories

AI agents often fail in ways that are difficult to localize because executions are probabilistic, long-horizon, multi-agent, and mediated by noisy tool outputs. We address this gap by manually annotating failed agent runs and release a novel benchmark of 170 trajectories across 11 diverse task settings, including structured API workflows, incident management, and open-ended web/file tasks. Each trajectory is annotated with a critical failure step and a category from a grounded-theory derived, cross-domain failure taxonomy. To mitigate the human cost of failure attribution, we present AgentRx, an $\textit{automated diagnostic framework}$ that pinpoints the critical failure step in a failed agent trajectory. It synthesizes constraints, evaluates them step-by-step, and produces an auditable validation log of constraint violations with associated evidence; an LLM-based judge uses this log to localize the critical step and category. AgentRx improves step localization by 75% on average over prior work, while providing failure category attribution.

cs.AI

Plant-Inspired AI: Plants as Inspiration for Novel Problem Formulations, and Two Case Studies

Artificial Intelligence (AI) has long been inspired by studies of biological intelligence. Reinforcement learning, for instance, drew inspiration from studies involving animal learning and is now a powerful paradigm for solving many real-world problems. Recently, plant biologists have uncovered a wide range of complex behaviors in plants that enable them to flexibly adapt to variable environments. Here, we argue that such behavior can motivate new AI frameworks encompassing a range of problems overlooked by existing problem-solving frameworks such as supervised learning, tree search, and constraint satisfaction. We illustrate this idea with two examples of intelligent problem-solving in plants: (1) leaf mimicry in Boquila trifoliolata, a vine capable of altering its leaves' morphology to resemble those of multiple host trees simultaneously; and (2) coordinated root-shoot growth, wherein plants allocate resources across organ systems exploring distinct environments. While leaf mimicry is highly specific to Boquila, coordination of root-shoot growth is shared across most plants. For both examples, we capture underlying computational principles and identify problems fitting these frameworks that are currently unaddressed by AI. Finally, we outline preliminary task formulations and discuss how these formulations may be applied to non-plant problems.

cs.AI

TCS-BENCH: Benchmarking State-of-the-Art Generative AI Theoretical Computer Science Research Ability

We introduce TCS-Bench, a benchmark for evaluating Large Language Models (LLMs) on research-level Theoretical Computer Science (TCS) proof generation. TCS-Bench consists of theorem-proving tasks from papers published at top theoretical computer science venues (STOC, FOCS, and SODA). Each task provides the necessary context to derive a self-contained proof for a target result. We evaluate state-of-the-art models on this benchmark. We verify the correctness of generated proofs via a verification agent, and further benchmark the verifier against human-expert proof judgements on a set of target statements and generated proofs pairs. Our reference verifier achieves over 90% accuracy on the expert labeled set.

cs.CL

AgenticNet: Utilizing AI Coding Agents To Create Hybrid Network Experiments

Traditional network experiments focus on validation through either simulation or emulation. Each approach has its own advantages and limitations. In this work, we present a new tool for next-generation network experiments created through Artificial Intelligence (AI) coding agents. This tool facilitates hybrid network experimentation through simulation and emulation capabilities. The tool supports three main operation modes: pure simulation, pure emulation, and hybrid mode. AgenticNet provides a more flexible approach to creating experiments for cases that may require a combination of simulation and emulation. In addition, AgenticNet supports rapid development through AI agents. We experimentally evaluate the tool and present an approach to verify the generated code.

cs.NI

When Less is More: Understanding When Token Filtering Helps and Fails in AI-generated Text Detection

The rapid advancement of large language models (LLMs) has made AI-generated text detection increasingly critical. Existing zero-shot detectors assume that more token-level evidence leads to more reliable detection. However, our empirical study challenges this consensus: fewer tokens sometimes work better, retaining only 40% can yield optimal performance, yet this benefit is not universal. Using the Entropy Gap Score (EGS), we introduce top-$k$ cumulative probability filtering as a diagnostic probe. Across three representative settings, filtering exhibits strikingly different behaviors. We analyze EGS via typical set theory and quantify its dynamics through entropy calibration and distribution analysis. We find that filtering helps for weak source LMs, where low-entropy tokens are harmful, but fails for strong source LMs, where they are not notably harmful. Our work provides the first systematic analysis showing that some tokens are not merely uninformative but systematically harmful due to entropy miscalibration, revealing a two-sided trade-off in token-level detection.

cs.CL