Cover Image

Scalable Training of Trustworthy and Energy-Efficient Predictive Graph Foundation Models for Atomistic Materials Modeling: A Case Study with HydraGNN

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Pasini, Massimiliano Lupo, Choi, Jong Youl, Mehta, Kshitij, Zhang, Pei, Rogers, David, Bae, Jonghyun, Ibrahim, Khaled Z., Aji, Ashwin M., Schulz, Karl W., Polo, Jorda, Balaprakash, Prasanna
Format:	Preprint
Published:	2024
Subjects:	Machine Learning Computational Physics 68T07, 68T09 C.2.4; I.2.11
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Exascale Multi-Task Graph Foundation Models for Imbalanced, Multi-Fidelity Atomistic Data
by: Pasini, Massimiliano Lupo, et al.
Published: (2026)

Multi-task parallelism for robust pre-training of graph foundation models on multi-source, multi-fidelity atomistic modeling data
by: Pasini, Massimiliano Lupo, et al.
Published: (2025)

When Does Global Attention Help? A Unified Empirical Study on Atomistic Graph Learning
by: Chowdhury, Arindam, et al.
Published: (2025)

Scalable Heterogeneous Graph Foundation Models for Data-Driven Optimal Power Flow in Smart Grids
by: Pasini, Massimiliano Lupo, et al.
Published: (2026)

Agentic UAVs: LLM-Driven Autonomy with Integrated Tool-Calling and Cognitive Reasoning
by: Koubaa, Anis, et al.
Published: (2025)

PROV-AGENT: Unified Provenance for Tracking AI Agent Interactions in Agentic Workflows
by: Souza, Renan, et al.
Published: (2025)

When the Agent Is the Adversary: Architectural Requirements for Agentic AI Containment After the April 2026 Frontier Model Escape
by: Mitchell, Richard Joseph
Published: (2026)

Gradient Atoms: Unsupervised Discovery, Attribution and Steering of Model Behaviors via Sparse Decomposition of Training Gradients
by: Rosser, J
Published: (2026)

Agentic Discovery of Neural Architectures: AIRA-Compose and AIRA-Design
by: Pepe, Alberto, et al.
Published: (2026)

Territory Paint Wars: Diagnosing and Mitigating Failure Modes in Competitive Multi-Agent PPO
by: Singh, Diyansha
Published: (2026)

Formal Analysis of AGI Decision-Theoretic Models and the Confrontation Question
by: Saklakov, Denis
Published: (2026)

NeuroState-Bench: A Human-Calibrated Benchmark for Commitment Integrity in LLM Agent Profiles
by: Jia, Xiao
Published: (2026)

PathFormer: A Transformer with 3D Grid Constraints for Digital Twin Robot-Arm Trajectory Generation
by: Alanazi, Ahmed, et al.
Published: (2025)

Project Synapse: A Hierarchical Multi-Agent Framework with Hybrid Memory for Autonomous Resolution of Last-Mile Delivery Disruptions
by: Yadav, Arin Gopalan, et al.
Published: (2026)

Client-Conditional Federated Learning via Local Training Data Statistics
by: Brännvall, Rickard
Published: (2026)

SocialX: A Modular Platform for Multi-Source Big Data Research in Indonesia
by: Saputra, Muhammad Apriandito Arya, et al.
Published: (2026)

Your Data, My Model: Learning Who Really Helps in Federated Learning
by: Abdurakhmanova, Shamsiiat, et al.
Published: (2024)

Cooperative Task Execution in Multi-Agent Systems
by: Karishma, et al.
Published: (2024)

Vertical Federated Graph Neural Network for Recommender System
by: Mai, Peihua, et al.
Published: (2023)

LookAhead: Preventing DeFi Attacks via Unveiling Adversarial Contracts
by: Ren, Shoupeng, et al.
Published: (2024)

Manipulating Transformer-Based Models: Controllability, Steerability, and Robust Interventions
by: Alpay, Faruk, et al.
Published: (2025)

Multi-Agent Synergy-Driven Iterative Visual Narrative Synthesis
by: Xi, Wang, et al.
Published: (2025)

AI Agents: Evolution, Architecture, and Real-World Applications
by: Krishnan, Naveen
Published: (2025)

Adaptive Minds: Empowering Agents with LoRA-as-Tools
by: Shekar, Pavan C, et al.
Published: (2025)

Flow State: Humans Enabling AI Systems to Program Themselves
by: Zhang, Helena, et al.
Published: (2025)

Multi-Agent Object Detection Framework Based on Raspberry Pi YOLO Detector and Slack-Ollama Natural Language Interface
by: Kalušev, Vladimir, et al.
Published: (2026)

Understanding Endogenous Data Drift in Adaptive Models with Recourse-Seeking Users
by: Liu, Bo-Yi, et al.
Published: (2025)

Agent Skills for Large Language Models: Architecture, Acquisition, Security, and the Path Forward
by: Xu, Renjun, et al.
Published: (2026)

Federated k-Means over Networks
by: Yang, Xu, et al.
Published: (2025)

ABot-Claw: A Foundation for Persistent, Cooperative, and Self-Evolving Robotic Agents
by: Huo, Dongjie, et al.
Published: (2026)

Improving Generalization in Heterogeneous Federated Continual Learning via Spatio-Temporal Gradient Matching with Prototypical Coreset
by: Nguyen, Minh-Duong, et al.
Published: (2025)

Reservoir Computing with Evolved Critical Neural Cellular Automata
by: Pontes-Filho, Sidney, et al.
Published: (2025)

Improving Local Training in Federated Learning via Temperature Scaling
by: Lee, Kichang, et al.
Published: (2024)

Benchmarking the Limits of In-Context Reinforcement Learning for Ad-Hoc Teamwork
by: Jing, Yuheng, et al.
Published: (2026)

A Systematic Review of Digital Twin-Driven Predictive Maintenance in Industrial Engineering: Taxonomy, Architectural Elements, and Future Research Directions
by: Ismail, Leila, et al.
Published: (2025)

An Organization-Scoped LLM Agent Runtime Architecture for Regulated Cybersecurity Operations
by: Fatouros, George, et al.
Published: (2026)

Solving Zebra Puzzles Using Constraint-Guided Multi-Agent Systems
by: Berman, Shmuel, et al.
Published: (2024)

Dynamic Dual-Granularity Skill Bank for Agentic RL
by: Tu, Songjun, et al.
Published: (2026)

A V2X-based Privacy Preserving Federated Measuring and Learning System
by: Alekszejenkó, Levente, et al.
Published: (2024)

Safe Distributed Control of Multi-Robot Systems with Communication Delays
by: Ballotta, Luca, et al.
Published: (2024)