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UID:101@cds.iisc.ac.in
DTSTART;TZID=Asia/Kolkata:20250129T113000
DTEND;TZID=Asia/Kolkata:20250129T123000
DTSTAMP:20250118T080605Z
URL:https://cds.iisc.ac.in/events/seminar-cds-102-january-29th-1130-artifi
 cial-intelligence-for-end-to-end-materials-modeling-and-discovery/
SUMMARY:{Seminar} @ CDS: #102\, January 29th\, 11:30: "Artificial Intellige
 nce for End-to-End Materials Modeling and Discovery"
DESCRIPTION:Department of Computational and Data Sciences\nDepartment Semin
 ar\n\n\n\nSpeaker : Prof. N. M. Anoop Krishnan\, IIT Delhi\nTitle :"Artifi
 cial Intelligence for End-to-End Materials Modeling and Discovery"\nDate &
 amp\; Time : January 29\, 2025 (Wednesday)\, 11:30 AM\nVenue : # 102\, CDS
  Seminar Hall\n\n\n\nABSTRACT\nThe development of artificial intelligence 
 (AI) systems for scientific discovery presents unique challenges that diff
 er significantly from traditional AI applications. In this talk\, we will 
 discuss an end-to-end AI framework that addresses these challenges\, using
  materials discovery as a compelling use case. We will explore how AI appr
 oaches can transform a traditionally sequential and time-intensive process
  into an efficient computational workflow. The discussion will center on a
  three-tier AI system architecture: (i) specialized large language models 
 (LLMs) and other information extraction models incorporating domain-specif
 ic knowledge representations for intelligent search space reduction\, (ii)
  graph neural networks that combine physics-based inductive biases for mat
 erials simulation\, and (iii) LLM agents for automated experiments. Throug
 h practical demonstrations\, we will examine how these AI components handl
 e complex scientific problems\, particularly focusing on information extra
 ction from tables\, generative modeling of crystal structures\, and atomis
 tic modeling of materials. We will analyze the integration of physical con
 straints and domain knowledge into neural architectures\, demonstrating ho
 w this enhances model interpretability and generalization. The talk conclu
 des by examining open problems in scientific AI\, including causal discove
 ry\, out-of-distribution generalization\, and the seamless integration of 
 symbolic and neural reasoning for scientific applications.\n\nBIO: Prof. N
 . M. Anoop Krishnan is an Associate Professor in the Department of Civil E
 ngineering\, IIT Delhi with a joint appointment in the Yardi School of Art
 ificial Intelligence. Anoop completed his Ph.D. in Civil Engineering from 
 Indian Institute of Science Bangalore in 2015\, after which\, he worked as
  a postdoctoral researcher in University of California Los Angeles from 20
 15 to 2017. Prior to this\, he completed his B.Tech. in Civil Engineering 
 from National Institute of Technology Calicut in 2009. He works at the int
 ersection of materials\, mechanics\, simulations\, and AI and ML with the 
 goal of accelerating materials modeling and discovery. He has published mo
 re than 120 international peer-reviewed journal publications and has 2 gra
 nted patents. He has won several awards including Sir A. Pilkington Award 
 by Society of Glass Technology\, UK (2024)\, Alexander von Humboldt Fellow
 ship (2023) for experienced researchers\, Google Research Scholar Award (2
 023)\, W. A. Weyl International Glass Science Award by International Commi
 ssion on Glass (2022)\, Indian National Academy of Engineering Young Engin
 eer Award (INAE YAE 2020)\, BRNS-DAE Young Scientist Award (2021)\, Indian
  Academy of Sciences Associateship (2022)\, and National Academy of Scienc
 e India Young Scientist Award (NASI YSA 2021).\n\nHost Faculty: Prof. Soum
 yendu Raha\n\n\n\nALL ARE WELCOME
CATEGORIES:Events,Talks
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