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cs.SE updates on arXiv.org

VLA Foundry: A Unified Framework for Training Vision-Language-Action Models Evaluating LLM-Generated Obfuscated XSS Payloads for Machine Learning-Based Detection Do Agents Dream of Root Shells? Partial-Credit Evaluation of LLM Agents in Capture the Flag Challenges Refute-or-Promote: An Adversarial Stage-Gated Multi-Agent Review Methodology for High-Precision LLM-Assisted Defect Discovery From Particles to Perils: SVGD-Based Hazardous Scenario Generation for Autonomous Driving Systems Testing Choose Your Own Adventure: Non-Linear AI-Assisted Programming with EvoGraph Human-Machine Co-Boosted Bug Report Identification with Mutualistic Neural Active Learning LLMSniffer: Detecting LLM-Generated Code via GraphCodeBERT and Supervised Contrastive Learning Neurosymbolic Repo-level Code Localization CodeMMR: Bridging Natural Language, Code, and Image for Unified Retrieval Symbolic Guardrails for Domain-Specific Agents: Stronger Safety and Security Guarantees Without Sacrificing Utility Verification Modulo Tested Library Contracts The Semi-Executable Stack: Agentic Software Engineering and the Expanding Scope of SE Scaling Test-Time Compute for Agentic Coding AI-Assisted Requirements Engineering: An Empirical Evaluation Relative to Expert Judgment From Procedural Skills to Strategy Genes: Towards Experience-Driven Test-Time Evolution Atropos: Improving Cost-Benefit Trade-off of LLM-based Agents under Self-Consistency with Early Termination and Model Hotswap Vibe-Coding: Feedback-Based Automated Verification with no Human Code Inspection, a Feasibility Study Benchmarks for Trajectory Safety Evaluation and Diagnosis in OpenClaw and Codex: ATBench-Claw and ATBench-Codex Bounded Autonomy for Enterprise AI: Typed Action Contracts and Consumer-Side Execution AIPC: Agent-Based Automation for AI Model Deployment with Qualcomm AI Runtime Analyzing Chain of Thought (CoT) Approaches in Control Flow Code Deobfuscation Tasks Asking What Matters: Reward-Driven Clarification for Software Engineering Tasks Prompt-Driven Code Summarization: A Systematic Literature Review LinuxArena: A Control Setting for AI Agents in Live Production Software Environments LLMs taking shortcuts in test generation: A study with SAP HANA and LevelDB Large Language Models to Enhance Business Process Modeling: Past, Present, and Future Trends CollabCoder: Plan-Code Co-Evolution via Collaborative Decision-Making for Efficient Code Generation Sentiment analysis for software engineering: How far can zero-shot learning (ZSL) go? Learning from Change: Predictive Models for Incident Prevention in a Regulated IT Environment
Long range forces in a performance portable Molecular Dyn...
William R. Saunders, James Grant, Eike H. Müller · 2017-08-03 · via cs.SE updates on arXiv.org

Molecular Dynamics (MD) codes predict the fundamental properties of matter by following the trajectories of a collection of interacting model particles. To exploit diverse modern manycore hardware, efficient codes must use all available parallelism. At the same time they need to be portable and easily extendible by the domain specialist (physicist/chemist) without detailed knowledge of this hardware. To address this challenge, we recently described a new Domain Specific Language (DSL) for the development of performance portable MD codes based on a "Separation of Concerns": a Python framework automatically generates efficient parallel code for a range of target architectures. Electrostatic interactions between charged particles are important in many physical systems and often dominate the runtime. Here we discuss the inclusion of long-range interaction algorithms in our code generation framework. These algorithms require global communications and careful consideration has to be given to any impact on parallel scalability. We implemented an Ewald summation algorithm for electrostatic forces, present scaling comparisons for different system sizes and compare to the performance of existing codes. We also report on further performance optimisations delivered with OpenMP shared memory parallelism.