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DUAL-BLADE: Dual-Path NVMe-Direct KV-Cache Offloading for Edge LLM Inference Progressive Semantic Communication for Efficient Edge-Cloud Vision-Language Models Efficient, VRAM-Constrained xLM Inference on Clients Folding Tensor and Sequence Parallelism for Memory-Efficient Transformer Training & Inference DORA: A Scalable Asynchronous Reinforcement Learning System for Language Model Training AMMA: A Multi-Chiplet Memory-Centric Architecture for Low-Latency 1M Context Attention Serving RaMP: Runtime-Aware Megakernel Polymorphism for Mixture-of-Experts Spark Policy Toolkit: Semantic Contracts and Scalable Execution for Policy Learning in Spark Internet of Everything in the 6G Era: Paradigms, Enablers, Potentials and Future Directions PolyKV: A Shared Asymmetrically-Compressed KV Cache Pool for Multi-Agent LLM Inference A Survey on Split Learning for LLM Fine-Tuning: Models, Systems, and Privacy Optimizations ITAS: A Multi-Agent Architecture for LLM-Based Intelligent Tutoring Latency and Cost of Multi-Agent Intelligent Tutoring at Scale TACO: Efficient Communication Compression of Intermediate Tensors for Scalable Tensor-Parallel LLM Training FreeScale: Distributed Training for Sequence Recommendation Models with Minimal Scaling Cost CommFuse: Hiding Tail Latency via Communication Decomposition and Fusion for Distributed LLM Training A Taxonomy and Resolution Strategy for Client-Level Disagreements in Federated Learning Usable Agent Discovery for Decentralized AI Systems Cloud to Edge: Benchmarking LLM Inference On Hardware-Accelerated Single-Board Computers Data-Free Contribution Estimation in Federated Learning using Gradient von Neumann Entropy Shard the Gradient, Scale the Model: Serverless Federated Aggregation via Gradient Partitioning Promoting Simple Agents: Ensemble Methods for Event-Log Prediction GraphLeap: Decoupling Graph Construction and Convolution for Vision GNN Acceleration on FPGA AGNT2: Autonomous Agent Economies on Interaction-Optimized Layer 2 Infrastructure FedSIR: Spectral Client Identification and Relabeling for Federated Learning with Noisy Labels Stream-CQSA: Avoiding Out-of-Memory in Attention Computation via Flexible Workload Scheduling A Delta-Aware Orchestration Framework for Scalable Multi-Agent Edge Computing Federated Learning over Blockchain-Enabled Cloud Infrastructure Optimal Routing for Federated Learning over Dynamic Satellite Networks: Tractable or Not? Sherpa.ai Privacy-Preserving Multi-Party Entity Alignment without Intersection Disclosure for Noisy Identifiers
Massively parallel quantum chemistry: PFAS on over 1 mill...
Alan E. Rask, Lee Huntington, SungYeon Kim, David Walker, Andrew · 2023-07-20 · via cs.DC updates on arXiv.org

Accurate solutions to the electronic Schrödinger equation can provide valuable insight for electron interactions within molecular systems, accelerating the molecular design and discovery processes in many different applications. However, the availability of such accurate solutions are limited to small molecular systems due to both the extremely high computational complexity and the challenge of operating and executing these workloads on high-performance compute clusters. This work presents a massively scalable cloud-based quantum chemistry platform by implementing a highly parallelizable quantum chemistry method that provides a polynomial-scaling approximation to full configuration interaction (FCI). Our platform orchestrates more than one million virtual CPUs on the cloud to analyze the bond-breaking behaviour of carbon-fluoride bonds of per- and polyfluoroalkyl substances (PFAS) with near-exact accuracy within the chosen basis set. This is the first quantum chemistry calculation utilizing more than one million virtual CPUs on the cloud and is the most accurate electronic structure computation of PFAS bond breaking to date.