Machine Learning · Reinforcement Learning · LLM Agents . Digital Twins

Soumyendu Sarkar

Senior Director & Senior Distinguished Technologist, Leading ML Research @ Hewlett Packard Enterprise Lab.

Research Interests

AI methods grounded in physical and operational constraints

Reinforcement Learning for Control

Multi-agent and multi-objective high-assurance RL for cyber-physical systems.

Digital Twins for Infrastructure

Physics-informed environments for liquid-cooled data centers, HPC systems, and wave energy.

LLM Agents for Operations

Agentic AI copilots with MCP tools & deep reasoning for cyber-physical systems.

Sustainable AI

Resource-aware ML / Data Centers that jointly optimizes compute, energy, cooling, water, carbon, grid stress, and reliability.

AI for Science

Fusion energy, optimization, inverse design, generative models, surrogates, and physics-informed ML for scientific discovery.

Trustworthy & High-Assurance AI

Verification, bounded autonomy, explainable decision-making, and stress testing for AI agents.

Recent Top AI Conference Papers

Top-conference papers as first or principal author
Recent work emphasizes trustworthy AI, reinforcement learning, sustainable data centers, digital twins, liquid cooling, and scientific ML. Each entry starts with a venue badge, followed by a focus-area badge and public links where available.
IJCAI 2026FusionHuman-in-the-Loop Meta Bayesian Optimization for Fusion Energy and Scientific Applications
Ricardo Luna Gutierrez, Sahand Ghorbanpour, Ejaz Rahman, Varchas Gopalaswamy, Riccardo Betti, Vineet Gundecha, Aarne Lees, Soumyendu Sarkar.
AAAI 2026Data Center SurrogateFast 3D Surrogate Modeling for Data Center Thermal Management
Soumyendu Sarkar, Antonio Guillen-Perez, Zachariah J. Carmichael, Avisek Naug, Refik Mert Cam, Vineet Gundecha, Ashwin Ramesh Babu, Sahand Ghorbanpour, Ricardo Luna Gutierrez.
NeurIPS 2025Data Center Liquid CoolingLC-Opt: Benchmarking Reinforcement Learning and Agentic AI for End-to-End Liquid Cooling Optimization in Data Centers
Avisek Naug, Antonio Guillen, Vineet Kumar, Scott Greenwood, Wesley Brewer, Sahand Ghorbanpour, Ashwin Ramesh Babu, Vineet Gundecha, Ricardo Luna Gutierrez, Soumyendu Sarkar.
Reinforcement learning and agentic AI for liquid cooling, thermal safety, energy efficiency, and data-center control.
NeurIPS 2025Data Center CloudDCcluster-Opt: Benchmarking Dynamic Multi-Objective Optimization for Geo-Distributed Data Center Workloads
Antonio Guillen-Perez, Avisek Naug, Vineet Gundecha, Soumyendu Sarkar. Geo-distributed data centers, multi-objective scheduling, carbon-aware optimization, and AI control planes.
AAAI 2025Trustworthy AIReinforcement Learning Platform for Adversarial Black-box Attacks with Custom Distortion Filters
Soumyendu Sarkar, Ashwin Ramesh Babu, Sajad Mousavi, Vineet Gundecha, Sahand Ghorbanpour, Avisek Naug, Ricardo Luna Gutierrez, Antonio Guillen.
AAAI 2025Data CenterC CloudHierarchical Multi-Agent Framework for Carbon-Efficient Liquid-Cooled Data Center Clusters
Soumyendu Sarkar, Avisek Naug, Antonio Guillen, Vineet Gundecha, Ricardo Luna Gutiérrez, Sahand Ghorbanpour, Sajad Mousavi, Ashwin Ramesh Babu, Desik Rengarajan, Cullen Bash.
NeurIPS 2024Data Center OptimizationSustainDC: Benchmarking for Sustainable Data Center Control
Avisek Naug, Antonio Guillen-Perez, Ricardo Luna, Vineet Gundecha, Cullen Bash, Sahand Ghorbanpour, Sajad Mousavi, Ashwin Ramesh Babu, Dejan Markovikj, Lekhapriya D. Kashyap, Desik Rengarajan, Soumyendu Sarkar.
AAAI 2024Data Center OptimizationCarbon Footprint Reduction for Sustainable Data Centers in Real-Time
Soumyendu Sarkar, Avisek Naug, Ricardo Luna, Antonio Guillen, Vineet Gundecha*, Sahand Ghorbanpour, Sajad Mousavi, Dejan Markovikj, Ashwin Ramesh Babu.
Reinforcement learning for real-time carbon-footprint reduction in sustainable data centers.
AAAI 2024Data Center OptimizationSustainability of Data Center Digital Twins with Reinforcement Learning
Soumyendu Sarkar, Avisek Naug, Antonio Guillen, Ricardo Luna, Vineet Gundecha, Ashwin Ramesh Babu, Sajad Mousavi.
Sustainable data-center digital twins, reinforcement learning, and AI-driven operational optimization.
AAAI 2024Trustworthy AIRobustness and Visual Explanation for Black-box Image, Video, and ECG Signal Classification with Reinforcement Learning
Soumyendu Sarkar, Ashwin Ramesh Babu, Sajad Mousavi, Vineet Gundecha, Avisek Naug, Sahand Ghorbanpour.
Reinforcement learning for black-box robustness, adversarial evaluation, and visual explanation across image, video, and ECG classifiers.
WACV 2024Trustworthy AIBenchmark Generation Framework with Customizable Distortions for Image Classifier Robustness
Soumyendu Sarkar, Ashwin Ramesh Babu, Sajad Mousavi, Zachariah Carmichael, Vineet Gundecha, Sahand Ghorbanpour, Ricardo Luna Gutierrez, Antonio Guillen, Avisek Naug.
IJCAI 2023Wave EnergyFunction Approximation for Reinforcement Learning Controller for Energy from Spread Waves
Soumyendu Sarkar, Vineet Gundecha, Sahand Ghorbanpour, Alexander Shmakov, Ashwin Ramesh Babu, Avisek Naug, Alexandre Pichard, Mathieu Cocho.
AAAI 2022Wave EnergyMulti-agent reinforcement learning controller to maximize energy efficiency for multi-generator industrial wave energy converter
Soumyendu Sarkar, Vineet Gundecha, Alexander Shmakov, Sahand Ghorbanpour, Ashwin Ramesh Babu, Paolo Faraboschi, Mathieu Cocho, Alexandre Pichard, Jonathan Fievez.

Best Paper Awards

Selected recognitions and award-track papers
NeurIPS 2023 WorkshopBest ML InnovationReal-time Carbon Footprint Minimization in Sustainable Data Centers with Reinforcement Learning
Soumyendu Sarkar, Avisek Naug, Ricardo Luna Gutierrez, Antonio Guillen, Vineet Gundecha, Ashwin Ramesh Babu, Cullen Bash.
Awarded Best ML Innovation at the NeurIPS 2023 Tackling Climate Change with Machine Learning workshop.
IEEE CASE 2022Best Application PaperSkip Training for Multi-Agent Reinforcement Learning Controller for Industrial Wave Energy Converters
Soumyendu Sarkar, Vineet Gundecha, Sahand Ghorbanpour, Alexander Shmakov, Ashwin Ramesh Babu, Alexandre Pichard, Mathieu Cocho.
ICML 2025 WorkshopBest Paper TrackInterpretable LLM Control for Sustainable Liquid Cooling in HPC Data Centers
Best-paper-track presentation at ICML 2025 Workshop on Computational Optimization of Buildings (CO-BUILD).

Other Papers

Complete bibliography carried forward from the current site / public profile, grouped by year

2026

AAAI 2026Thermal MLFast 3D Surrogate Modeling for Data Center Thermal Management
arXiv 2026Bayesian OptimizationBayMOTH: Bayesian optiMizatiOn with meTa-lookahead — a simple approacH

2025

ICML 2025 WorkshopBest Paper Interpretable LLM Control for Sustainable Liquid Cooling in HPC Data Centers
Sahand Ghorbanpour, Ashwin Ramesh Babu, Avisek Naug, Antonio Guillen-Perez, Ricardo Luna Gutierrez, Vineet Gundecha, Soumyendu Sarkar*. ICML 2025 CO-BUILD Workshop on Computational Optimization of Buildings. Oral Presentation — Best Paper.
NeurIPS 2025 WorkshopFusion OptICF: Sample-Efficient Optimization of Implosion Outcomes in Inertial Confinement Fusion
Ricardo Luna Gutierrez, Vineet Gundecha, Rahman Ejaz, Varchas Gopalaswamy, Riccardo Betti, Sahand Ghorbanpour, Aarne Lees, Soumyendu Sarkar*. NeurIPS 2025 Workshop on Machine Learning and the Physical Sciences. Accepted Paper, Dec. 2025.
NeurIPS 2025 WorkshopDiffusion / Fusion DiffICF: Diffusion-Driven Inverse Modeling for Laser Pulse Design in Inertial Confinement Fusion
Ricardo Luna Gutierrez, Vineet Gundecha, Rahman Ejaz, Varchas Gopalaswamy, Riccardo Betti, Sahand Ghorbanpour, Aarne Lees, Soumyendu Sarkar*. NeurIPS 2025 Workshop on Machine Learning and the Physical Sciences. Accepted Paper, Dec. 2025.
NeurIPS 2025 WorkshopLaser Pulse Design Inverse Modeling of Laser Pulse Shapes in Inertial Confinement Fusion with Auto-Regressive Models
Vineet Gundecha, Ricardo Luna Gutierrez, Rahman Ejaz, Varchas Gopalaswamy, Riccardo Betti, Aarne Lees, Sahand Ghorbanpour, Soumyendu Sarkar*. NeurIPS 2025 Workshop on Tackling Climate Change with Machine Learning. Accepted Paper, Dec. 2025.
NeurIPS 2025 WorkshopAI for Science IM-LPG: Inverse Modeling Approach to Laser Pulse Shape Generation in Inertial Confinement Fusion
Ricardo Luna Gutierrez, Vineet Gundecha, Rahman Ejaz, Varchas Gopalaswamy, Riccardo Betti, Sahand Ghorbanpour, Aarne Lees, Soumyendu Sarkar*. NeurIPS 2025 Workshop on AI for Science. Accepted Paper, Dec. 2025.
NeurIPS 2025 WorkshopOptimization / Fusion Fewer Shots, Better Implosions: Sample-Efficient Optimization for Inertial Confinement Fusion
Ricardo Luna Gutierrez, Vineet Gundecha, Rahman Ejaz, Varchas Gopalaswamy, Riccardo Betti, Sahand Ghorbanpour, Aarne Lees, Soumyendu Sarkar*. NeurIPS 2025 Workshop on Machine Learning and the Physical Sciences. Accepted Paper, Dec. 2025.
NeurIPS 2025 WorkshopLLM Agents Sustainable Control of Geo-Distributed Datacenters by Distilling Numerical Experts into Adaptive LLM Agents
NeurIPS 2025 Workshop on Machine Learning for Systems. Accepted Paper, Dec. 2025.
NeurIPS 2025 WorkshopThermal Design ML-Guided Cold Plate Design and Thermal Analysis for Liquid-Cooled HPC Servers
NeurIPS 2025 Workshop on Machine Learning for Systems. Accepted Paper, Dec. 2025.
NeurIPS 2025 WorkshopRL / LLM Control Carbon-Aware RL-LLM Control for Energy-Efficient Liquid-Cooled HPC Data Centers
NeurIPS 2025 Workshop on Machine Learning for Systems. Accepted Paper, Dec. 2025.
NeurIPS 2025 WorkshopSustainable HPC Efficient Reinforcement Learning Implementations for Sustainable Operation of Liquid Cooled HPC Data Centers
NeurIPS 2025 Workshop on Tackling Climate Change with Machine Learning. Accepted Paper, Dec. 2025.
NeurIPS 2025 WorkshopGeo-Distributed DC Holistic Sustainability for Geo-Distributed Data Centers using Hierarchical Optimization
NeurIPS 2025 Workshop on Tackling Climate Change with Machine Learning. Accepted Paper, Dec. 2025.
CVPR 2025 WorkshopVideo Robustness Robustness Evaluation for Video Models with Reinforcement Learning
Ashwin Ramesh Babu, Sajad Mousavi, Vineet Gundecha, Sahand Ghorbanpour, Avisek Naug, Antonio Guillen, Ricardo Luna Gutierrez, Soumyendu Sarkar*. Proceedings of the Computer Vision and Pattern Recognition Conference Workshop, 2025, pp. 4362–4370.
CVPR 2025 WorkshopVLM Robustness Coordinated Robustness Evaluation Framework for Vision-Language Models
Ashwin Ramesh Babu, Sajad Mousavi, Vineet Gundecha, Sahand Ghorbanpour, Avisek Naug, Antonio Guillen, Ricardo Luna, Soumyendu Sarkar*. Proceedings of the Computer Vision and Pattern Recognition Conference Workshop, 2025, pp. 712–720.
NeurIPS 2025Data CentersDCcluster-Opt: Benchmarking Dynamic Multi-Objective Optimization for Geo-Distributed Data Center Workloads
NeurIPS 2025Liquid CoolingLC-Opt: Benchmarking Reinforcement Learning and Agentic AI for End-to-End Liquid Cooling Optimization in Data Centers
AAAI 2025Sustainable DCHierarchical Multi-Agent Framework for Carbon-Efficient Liquid-Cooled Data Center Clusters
AAAI 2025Adversarial RLReinforcement Learning Platform for Adversarial Black-box Attacks with Custom Distortion Filters
Workshop 2025Liquid CoolingLiquid Cooling Optimization for Data Centers with Reinforcement Learning
Avisek Naug, Antonio Guillen-Perez, Vineet Gundecha, Soumyendu Sarkar.
arXiv 2025LLM AgentsSurvey of LLM Agent Communication with MCP: A Software Design Pattern Centric Review
Anjana Sarkar, Soumyendu Sarkar.
Preprint 2025LLM ControlA Survey on Large Language Models for Control Systems
Preprint 2025Self-CorrectionN-CRITICS: Self-Refinement of Large Language Models with Ensemble of Critics

2024

NeurIPS 2024 WorkshopRed Teaming iART: Imitation Guided Automated Red Teaming
Sajad Mousavi, Desik Rengarajan, Ashwin Ramesh Babu, Vineet Gundecha, Avisek Naug, Sahand Ghorbanpour, Ricardo Luna Gutierrez, Antonio Guillen, Paolo Faraboschi, Soumyendu Sarkar*. NeurIPS 2024 Red Teaming GenAI Workshop. Oral Presentation.
NeurIPS 2024 WorkshopLLM Reasoning Informed Tree of Thought: Cost-Efficient Problem Solving with Large Language Models
Sajad Mousavi, Desik Rengarajan, Ashwin Ramesh Babu, Sahand Ghorbanpour, Vineet Gundecha, Avisek Naug, Soumyendu Sarkar*. NeurIPS 2024 Workshop on Adaptive Foundation Models: Evolving AI for Personalized and Efficient Learning.
NeurIPS 2024 WorkshopFusion / BO LLM Enhanced Bayesian Optimization for Scientific Applications like Fusion
Sahand Ghorbanpour, Ricardo Luna Gutierrez, Vineet Gundecha, Desik Rengarajan, Ashwin Ramesh Babu, Soumyendu Sarkar*. NeurIPS 2024 Workshop on Physical Sciences.
APS 2024Fusion Optimizing the Performance of Direct-Drive Implosion Experiments Using Meta-Bayesian Optimization
Rahman Ejaz, Varchas Gopalaswamy, Ricardo Luna, Vineet Gundecha, Aarne Lees, Riccardo Betti, Sahand Ghorbanpour, Soumyendu Sarkar, Christopher, Kanan. Bulletin of the American Physical Society, 2024. Publisher: American Physical Society.
NeurIPS 2024 WorkshopHuman Feedback Explainable Meta Bayesian Optimization with Human Feedback for Scientific Applications like Fusion Energy
Ricardo Luna Gutierrez, Sahand Ghorbanpour, Vineet Gundecha, Rahman Ejaz, Varchas Gopalaswamy, Riccardo Betti, Avisek Naug, Desik Rengarajan, Ashwin Ramesh Babu, Paolo Faraboschi, Soumyendu Sarkar*. NeurIPS 2024 Workshop on Tackling Climate Change with Machine Learning.
NeurIPS 2024 WorkshopFusion / BO Meta-Learned Bayesian Optimization for Energy Yield in Inertial Confinement Fusion
Vineet Gundecha, Ricardo Luna Gutierrez, Sahand Ghorbanpour, Rahman Ejaz, Varchas Gopalaswamy, Riccardo Betti, Desik Rengarajan, Soumyendu Sarkar*. NeurIPS 2024 Workshop on Physical Sciences.
IEEE Computer 2024Digital Twin Digital Twins for Data Centers
Jyotika Athavale, Cullen Bash, Wesley Brewer, Matthias Maiterth, Dejan Milojicic, Harry Petty, Soumyendu Sarkar*. IEEE Computer Magazine, Vol. 57, Issue 10, pp. 151–158, 2024.
NeurIPS 2024 WorkshopWave Energy Enhancing Reinforcement Learning-Based Control of Wave Energy Converters Using Predictive Wave Modeling
Vineet Gundecha, Arie Paap, Mathieu Cocho, Sahand Ghorbanpour, Alexandre Pichard, Ashwin Ramesh Babu, Soumyendu Sarkar*. NeurIPS 2024 Workshop on Tackling Climate Change with Machine Learning.
NeurIPS 2024 WorkshopCloud / Carbon Carbon-Aware Spatio-Temporal Workload Distribution in Cloud Data Center Clusters Using Reinforcement Learning
Soumyendu Sarkar*, Antonio Guillen-Perez, Vineet Gundecha, Avisek Naug, Ricardo Luna Gutierrez, Sajad Mousavi, Paolo Faraboschi, Cullen Bash. NeurIPS 2024 Workshop on Tackling Climate Change with Machine Learning.
NeurIPS 2024 WorkshopLiquid Cooling Enhancing Sustainability in Liquid-Cooled Data Centers with Reinforcement Learning Control
Avisek Naug, Antonio Guillen Perez, Vineet Gundecha, Ricardo Luna Gutierrez, Ashwin Ramesh Babu, Sajad Mousavi, Paolo Faraboschi, Cullen Bash, Soumyendu Sarkar*. NeurIPS 2024 Workshop on Tackling Climate Change with Machine Learning.
IEEE ITherm 2024CFD Surrogate CFD Surrogates for Data Center Sustainability Using 3D U-Net Convolutional Neural Network
Soumyendu Sarkar*, Antonio Guillen-Perez, Zachariah Carmichael, Vineet Gundecha, Avisek Naug, Ricardo Luna Gutierrez, Ashwin Ramesh Babu, Cullen Bash. 2024 23rd IEEE Intersociety Conference on Thermal and Thermomechanical Phenomena in Electronic Systems (ITherm).
NeurIPS 2024 WorkshopSafe GenAI Imitation Guided Automated Red Teaming
Desik Rengarajan, Sajad Mousavi, Ashwin Ramesh Babu, Vineet Gundecha, Avisek Naug, Sahand Ghorbanpour, Antonio Guillen, Ricardo Luna Gutierrez, Soumyendu Sarkar*. NeurIPS 2024 Workshop on Safe Generative AI.
NeurIPS 2024BenchmarkSustainDC: Benchmarking for Sustainable Data Center Control
AAAI 2024Carbon-Aware RLCarbon Footprint Reduction for Sustainable Data Centers in Real-Time
AAAI 2024Digital TwinSustainability of Data Center Digital Twins with Reinforcement Learning
AAAI 2024RobustnessRobustness and Visual Explanation for Black-box Image, Video, and ECG Signal Classification with Reinforcement Learning
IEEE Computer 2024Digital TwinDigital Twins for Data Centers
Jyotika Athavale, Cullen Bash, Wesley Brewer, Matthias Maiterth, Dejan Milojicic, Harry Petty, Soumyendu Sarkar.
Workshop 2024CFD SurrogateCFD Surrogates for Data Center Sustainability Using 3D U-Net Convolutional Neural Network
arXiv 2024BenchmarkSustainDC — Benchmarking for Sustainable Data Center Control

2023

NeurIPS Workshop 2023Best ML InnovationReal-Time Carbon Footprint Minimization in Sustainable Data Centers with Reinforcement Learning
arXiv 2023Sustainable DCPyDCM: Custom Data Center Models with Reinforcement Learning for Sustainability
Avisek Naug, Antonio Guillen, Ricardo Luna Gutiérrez, Vineet Gundecha, Dejan Markovikj, Lekhapriya Dheeraj Kashyap, Lorenz Krause, Sahand Ghorbanpour, Sajad Mousavi, Ashwin Ramesh Babu, Soumyendu Sarkar.
NeurIPS Workshop 2023Sustainable DCSustainable Data Center Modeling: A Multi-Agent Reinforcement Learning Benchmark
NeurIPS Workshop 2023Digital TwinA Configurable Pythonic Data Center Model for Sustainable Cooling and ML Integration
NeurIPS Workshop 20233D CFDEnhancing Data Center Sustainability with a 3D CNN-Based CFD Surrogate Model
NeurIPS Workshop 2023Wave EnergyOcean Wave Energy: Optimizing Reinforcement Learning Agents for Effective Deployment
SafeAI @ AAAI 2023Adversarial MLRobustness with Black-Box Adversarial Attack using Reinforcement Learning
CVPRW 2023Adversarial MLRobustness with Query-Efficient Adversarial Attack using Reinforcement Learning
CVPRW 2023ExplainabilityRL-CAM: Visual Explanations for Convolutional Networks using Reinforcement Learning
CASE 2023Adversarial MLReinforcement Learning Based Black-Box Adversarial Attack for Robustness Improvement
CASE 2023Carbon-Aware RLConcurrent Carbon Footprint Reduction (C2FR) Reinforcement Learning Approach for Sustainable Data Center Digital Twin
CASE 2023Bayesian OptimizationRTDK-BO: High Dimensional Bayesian Optimization with Reinforced Transformer Deep Kernels
arXiv 2023RobustnessBenchmark Generation Framework with Customizable Distortions for Image Classifier Robustness

2022 and earlier

AAAI 2022Wave EnergySkip Training for Multi-Agent Reinforcement Learning Controller for Industrial Wave Energy Converters
IEEE CASE 2022Best Application PaperSkip Training for Multi-Agent Reinforcement Learning Controller for Industrial Wave Energy Converters
NeurIPS Workshop 2022ML SafetyMeasuring Robustness with Black-Box Adversarial Attack Using Reinforcement Learning
Soumyendu Sarkar, Sajad Mousavi, Ashwin Ramesh Babu, Vineet Gundecha, Sahand Ghorbanpour, Alexander K. Shmakov.
Earlier WorkTo CompleteAdditional earlier papers from the legacy site can be pasted here if the site contains older entries not exposed by the public search index.
The current public/indexed sources expose the 2022–2026 bibliography above. If the legacy page has hidden or manually maintained older entries, paste that list and this section can be completed exactly.

Research Projects

Long-running themes and platforms

ExaDigiT and Liquid Cooling Digital Twins

High-fidelity simulation and AI-control environments for understanding and optimizing next-generation liquid-cooled supercomputing and data-center systems.

  • Thermal forecasting and control
  • Reinforcement learning environments
  • Operator-facing explainability

AI-Energy Fabric

A research agenda for coordinating AI workloads, data centers, cloud platforms, cooling systems, and electric grids using auditable, safety-bounded AI.

  • Grid-interactive data centers
  • Resource-metabolic ML
  • Bounded autonomy and governance

Trustworthy Agentic AI

Methods for evaluating, constraining, and improving LLM-based agents that reason over complex systems and take consequential actions.

  • Stress testing and verification
  • Reasoning quality and rule-following
  • Human-in-the-loop oversight

AI for Fusion and Scientific Discovery

Machine learning for complex scientific systems, including surrogate modeling and inverse design for inertial confinement fusion workflows.

  • Physics-informed surrogates
  • Generative inverse design
  • Scientist-in-the-loop optimization

Service & Collaboration

Academic, industrial, and national-lab collaborations

Community

Reviewer, organizer, contributor, and collaborator across machine learning, AI systems, trustworthy AI, sustainable computing, and AI for science communities.

Collaboration Interests

I welcome collaborations on ML for sustainable infrastructure, trustworthy agents, digital twins, high-assurance RL, and AI methods for scientific discovery.