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cs.DC updates on arXiv.org

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
FastCHGNet: Training one Universal Interatomic Potential ...
Yuanchang Zhou, Siyu Hu, Chen Wang, Lin-Wang Wang, Guangming Tan · 2024-12-30 · via cs.DC updates on arXiv.org

Graph neural network universal interatomic potentials (GNN-UIPs) have demonstrated remarkable generalization and transfer capabilities in material discovery and property prediction. These models can accelerate molecular dynamics (MD) simulation by several orders of magnitude while maintaining \textit{ab initio} accuracy, making them a promising new paradigm in material simulations. One notable example is Crystal Hamiltonian Graph Neural Network (CHGNet), pretrained on the energies, forces, stresses, and magnetic moments from the MPtrj dataset, representing a state-of-the-art GNN-UIP model for charge-informed MD simulations. However, training the CHGNet model is time-consuming(8.3 days on one A100 GPU) for three reasons: (i) requiring multi-layer propagation to reach more distant atom information, (ii) requiring second-order derivatives calculation to finish weights updating and (iii) the implementation of reference CHGNet does not fully leverage the computational capabilities. This paper introduces FastCHGNet, an optimized CHGNet, with three contributions: Firstly, we design innovative Force/Stress Readout modules to decompose Force/Stress prediction. Secondly, we adopt massive optimizations such as kernel fusion, redundancy bypass, etc, to exploit GPU computation power sufficiently. Finally, we extend CHGNet to support multiple GPUs and propose a load-balancing technique to enhance GPU utilization. Numerical results show that FastCHGNet reduces memory footprint by a factor of 3.59. The final training time of FastCHGNet can be decreased to \textbf{1.53 hours} on 32 GPUs without sacrificing model accuracy.