AGENDA: Monday, August 6th

SESSION 1: STREAMING DATA ANALYSIS BNL, Building 725 Training RoomKerstin Kleese van Dam, Chair

TIME SPEAKER TITLE

8:15-8:45 am Breakfast Sponsored by HPE

8:45-9:00 am WELCOME REMARKS: Kerstin Kleese van Dam, Director of BNL’S Computational Science Initiative (CSI)

9:00-9:45 am KEYNOTE: Zohar Karnin Amazon AWS AI

“Algorithms in Amazon SageMaker”

9:45-10:20 am Yuewei Lin, Brookhaven National Laboratory (BNL)

“Structure Determination of Metallic Nanoparticles: A Machine Learning Benchmark”

10:20-10:50 am Break

10:50-11:25 am Shinjae Yoo, Brookhaven National Laboratory (BNL)

“Streaming MD Trajectories Sampling”

11:25-12:00 pm Xi Zhang, Brookhaven National Laboratory (BNL) and Stony Brook University (SBU)

“Streaming Classical Multidimensional Scaling”

12:00-12:35 pm Jin Xu and Shilpi Bhattacharyya, Brookhaven National Laboratory (BNL) and Stony Brook University (SBU)

“Forecasting Smart Grid Load on the Wire”

12:35-1:35pm Lunch Sponsored by NVIDIA

SESSION 2: BIG THEORY FOR BIG DATANick D’Imperio, Chair

TIME SPEAKER TITLE

01:35-02:20 pm KEYNOTE: Edward Dougherty Jr., Texas A&M

“The Knowledge-Data Design Loop”

02:20-02:55 pm Turab Lookman, Los Alamos National Laboratory (LANL)

“From Data to Discovery: Accelerated Search for Materials with Targeted Properties”

02:55-03:25pm Break

03:25-04:00pm George Zaki, Frederick National Laboratory for Cancer Research (NIH)

“CANDLE: Exascale deep learning and simulation enabled precision medicine for cancer”

04:00-04:35pm Xiao-li Meng, Harvard University “How Small Are Our Big Data: Turning the 2016 Surprise into a 2020 Vision”

04:35-05:10pm Haizi Yu, University of Illinois “MUS-ROVER: An Automatic Music Theorist and Pedagogue”

05:35-06:30pm Poster Session Sponsored by RAID Location: Building 725, Collaboration Room

Dinner on Own

AGENDA: Tuesday, August 7th

SESSION 3: PERFORMANCE FOR BIG DATA Location: BNL, Building 725 Training RoomBarbara Chapman, Chair

TIME SPEAKER TITLE

8:30-9:00 am Breakfast Sponsored by HPE

9:00-9:45 am KEYNOTE: Henry Gabb, Intel “The Convergence of HPC, Big Data Analytics, and AI in Future Workflows”

9:45-10:20 am Line Pouchard, Brookhaven National Laboratory (BNL)

“Prescriptive Provenance for Streaming Analysis of Workflows at Scale”

10:20-10:50 am Break

10:50-11:25am Abid Malik, Brookhaven National Laboratory (BNL)

“Detailed Performance Analysis of Distributed Tensorflow on a GPU Cluster for Deep Neural Networks Algorithms”

11:25-12:00pm Meifeng Lin, Brookhaven National Laboratory (BNL)

“High-Performance Multi-Modal Ptychography Reconstruction on Distributed GPUs”

12:00-12:35pm Guangwei Che, Brookhaven National Laboratory (BNL)

“Performance Evaluation for Tape Storage Data Recall”

12:35-2:35pm Lunch Sponsored by NVIDIA

SESSION 4: AI DRIVEN OPTIMAL EXPERIMENTAL DESIGN AND AUTONOMOUS EXPERIMENTSMichael McGuigan, Chair

TIME SPEAKER TITLE

01:35-02:20pm KEYNOTE: Payel Das, IBM TJ Watson Research Center, and Columbia University

“Towards Creative and Interpretable AI for Real-World Applications”

02:20-02:55pm Kris Reyes, University at Buffalo (UB) “Decision-Making Modalities in Automated and Autonomous Experimental Science”

02:55-03:25pm Break

03:25-04:00pm Marcus Michael Noack, Lawrence Berkeley National Laboratory (LBNL)

“A Surrogate Model Approach for Autonomous X-Ray Scattering Experiments”

04:00-04:35pm Xiaoning Qian, Texas A&M University (TAMU)

“Optimal Bayesian Transfer Learning for Classifying Multivariate Gaussian Observations”

04:35-05:10pm Arvind Ramanathan, Oak Ridge National Laboratory (ORNL)

“Artificial Intelligence Enabled Multi-Scale Molecular Simulations”

05:10-05:45pm Roselyne Tchoua, University of Chicago “Towards Hybrid Human-Machine Scientific Information Extraction”

06:30pm Conference Dinner Sponsored by IACS Location: Chemistry Building, 555

AGENDA: Wednesday, August 8th

SESSION 5: QUANTUM COMPUTING AND BIG DATA Location: BNL, Building 725 Training RoomFrank Alexander, Chair

TIME SPEAKER TITLE

8:30-9:00 am Breakfast Sponsored by RAID

9:00-9:45 am KEYNOTE: Prineha Narang, Harvard University

“Excited States and Quantum Electrodynamical Interactions on NISQ Devices”

09:45-10:20am Layla Hormozi, Massachusetts Institute of Technology (MIT)

“Nonstoquastic Hamiltonians and Quantum Annealing”

10:20-10:50am Break

10:50-11:25am Eden Figueroa, SBU “Building a room temperature quantum computer”

11:25-12:00pm Sarah Elghazoly, Smith College “Visualization and quantum computation of Moiré superconductivity in bilayer graphene, carbon nanocones and nanostrips”