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edge computing

3,051 papers

#edge computing Review Open access Aug 2026

Research on Edge-Cloud Collaborative Resource Scheduling and Security Management Based on Intelligent Optimization and Privacy Protection

A formalized privacy-aware scheduling perspective is proposed that incorporates latency, energy consumption, cost, node trustworthiness, data sensitivity, privacy leakage risk, reliability and auditability into a unified decision model.

Tian-Yun Luo · 0 citations
#graph neural networks Review Sep 2026

Leveraging Cyber-Physical Security Solutions Blended With Machine Learning for Advanced IoT Botnet Detection

The proliferation of Internet of Things (IoT) ecosystems has significantly increased the attack surface of cyber-physical systems, leading to the emergence of large-scale botnets that exploit device vulnerabilities for distributed and persistent attacks. This survey comprehensively reviews state-of-the-art techniques t...

Rashed Qayoom Shawl, Manmeet Singh, M. M. Hassan · 1 citation

LumiCharge: Spherical Harmonic Convolutional Networks for Atomic Charge Prediction in Drug Discovery.

This work proposes LumiCharge, a novel atomic charge prediction framework that incorporates high-order spherical harmonics convolutions and explicitly models multibody interactions, and demonstrates exceptional extrapolation capability and robustness across molecules of varying sizes, effectively overcoming the limitat...

Qun Su, Hui Zhang, Qiaolin Gou et al. · 2 citations

PepBAN: A Deep Learning Framework with Bilinear Attention and Adversarial Learning for Peptide-Protein Interaction Prediction

PepBAN is introduced, a deep learning framework for modeling PepPI predictions that effectively learns the pattern of pairwise local interactions, enables the identification of key residues participating in the peptide-protein interactions, and offers an intuitive approach to interpret the underlying mechanisms of PepP...

Shuaiyan Li, Xiaorui Wang, Yuchen Zhu et al. · 4 citations

SynGFN: learning across chemical space with generative flow-based molecular discovery

This study proposes SynGFN, which models molecular design as a cascade of simulated chemical reactions, enabling the assembly of molecules from synthesizable building blocks, as a bridge linking molecular design and synthesis, accelerating exploration and producing diverse, synthesizable, high-performance molecules.

Yuchen Zhu, Shuwang Li, Jihong Chen et al. · 3 citations
#computer vision Oct 2025

Allosteric Cooperativity Mechanism Investigation of Orthosteric and Allosteric Ligands in Modulating AR Activity: A Molecular Dynamics Study

Results indicate that BF3 antagonists can synergize with the LBP antagonist to amplify conformational flexibility in H12 and induce anticorrelated dynamics of H12 with H3 and H4, suggesting a promising avenue for enhancing the efficacy and overcoming the resistance in castration-resistant prostate cancer treatment.

Xiaotian Kong, Yushan Zou, Peng Cao et al. · 1 citation

ChargeNet: E(3) Equivariant Graph Attention Network for Atomic Charge Prediction

This work introduces an advanced equivariant graph attention neural network specifically engineered to model long-range atomic electrostatic interactions with high precision, and improves the model's accuracy, generalization, and robustness in complex scenarios.

Qiaolin Gou, Qun Su, Ji-Ke Wang et al. · 1 citation

PepPCBench is a Comprehensive Benchmarking Framework for Protein-Peptide Complex Structure Prediction

PepPCBench enables a robust evaluation of PFNN-based methods and supports their continued development for peptide-protein structure prediction, and highlights the influence of peptide length, conformational flexibility, and training set similarity on prediction accuracy.

Si-Long Zhai, Huifeng Zhao, Ji-Ke Wang et al. · 13 citations · ⚡1

CarsiDock-Cov: A deep learning-guided approach for automated covalent docking and screening

CarsiDock-Cov is presented, a new paradigm distinguishing itself as the first deep learning (DL)-guided approach for covalent docking, offering an automated and efficient solution that shows considerable promise for accelerating covalent drug discovery and design.

Chao Shen, Hongyan Du, Xujun Zhang et al. · 12 citations

One-Shot Rational Design of Covalent Drugs with CovalentLab

CovalentLab is introduced, an interactive computational platform that integrates ligand-based and warhead-based strategies into a unified workflow for the rational design of covalent ligands and enables the prediction and ranking of nine classes of covalent-binding residues in proteins according to their reactivity.

Xi Xue, Xiangying Liu, Xue Liu et al. · 4 citations · ⚡1

Q‐GEM: Quantum Chemistry Knowledge Fusion Geometry‐Enhanced Molecular Representation for Property Prediction

The Q‐GEM comprises a GNN embedded with the molecular electronic and complete 3D geometrical structural information as well as several well‐designed multiscale SSL tasks, achieving superior absolute molecular conformation prediction and conformational discrimination.

Zhijiang Yang, Liangliang Wang, Tengxin Huang et al. · 6 citations
#computer vision May 2025

A Unified Deep Graph Model for Identifying the Molecular Categories of Ligands Targeting Nuclear Receptors

This study established a unified model (NRIGN) based on the deep graphic architecture to discriminate agonists and antagonists targeting 26 successful or in-clinical-trial NR targets and achieves an excellent prediction accuracy and is robust enough to be applied in various real-world scenarios.

Kaimo Yang, Dejun Jiang, Qirui Deng et al. · 2 citations

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Microsoft Research Blog Oct 29, 2026

Microsoft Research Focus – Edition #97

Host Sowbhagya Suresh shares some of the latest news and cutting-edge research from across Microsoft—from understanding the challenges facing coding agents to uncovering how people use AI at work and improving extended-range weather forecasting. The post Microsoft Research Focus – Edition #97 appeared first on Microsoft Research.

MIT News · Artificial Intelligence Oct 28, 2026

Making machines that can listen

Professor Paris Smaragdis develops computers with superhuman hearing for applications like speech recognition, music understanding, and environmental monitoring.

Microsoft Research Blog Oct 21, 2026

Solving a 31-year-old grand challenge in mathematics – the KLS conjecture

For decades, a fundamental question about the difficulty of computing in high-dimensional spaces has resisted proof. New research resolves this question, removing a major theoretical obstacle to understanding the efficiency of randomized algorithms used across science and computing. The Kannan–Lovász–Simonovits (KLS) conjecture was proposed in 1995. It asks whether, for a broad class of high-dimensional […] The post Solving a 31-year-old grand challenge in mathematics – the KLS conjecture appear…

MIT News · Artificial Intelligence Oct 15, 2026

AI model decodes the language cells use to communicate

A new computational approach reveals how cells communicate to assemble into tissues. This could accelerate stem cell engineering, improve disease models, and inform therapies.

Microsoft Research Blog Oct 15, 2026

Proof-based general-purpose computing with Magnetar

Zero-knowledge proofs can verify computing results without rerunning workloads or exposing sensitive data. Magnetar helps bring them into the mainstream with support for standard programming languages, major speed gains, and quantum-resistant security. The post Proof-based general-purpose computing with Magnetar appeared first on Microsoft Research.

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