8 citations · 16 across the 24 of their papers we have counts for
14 papers · 1 filter
Scalable Agentic Reasoning for Designing Biologics Targeting Intrinsically Disordered Proteins
Matthew Sinclair, Moeen Meigooni, Archit Vasan +14
Intrinsically disordered proteins (IDPs) represent crucial therapeutic targets due to their significant role in disease -- approximately 80\% of cancer-related proteins contain lon…
FIRST: Federated Inference Resource Scheduling Toolkit for Scientific AI Model Access
Aditya Tanikanti, Benoit Côté, Yanfei Guo +9
We present the Federated Inference Resource Scheduling Toolkit (FIRST), a framework enabling Inference-as-a-Service across distributed High-Performance Computing (HPC) clusters. FI…
Foundation Models for Discovery and Exploration in Chemical Space
Alexius Wadell, Anoushka Bhutani, Victor Azumah +26
Accurate prediction of atomistic, thermodynamic, and kinetic properties from molecular structures underpins materials innovation. Existing computational and experimental approaches…
AERIS: Argonne Earth Systems Model for Reliable and Skillful Predictions
Väinö Hatanpää, Eugene Ku, Jason Stock +12
Generative machine learning offers new opportunities to better understand complex Earth system dynamics. Recent diffusion-based methods address spectral biases and improve ensemble…
PagedEviction: Structured Block-wise KV Cache Pruning for Efficient Large Language Model Inference
Krishna Teja Chitty-Venkata, Jie Ye, Xian-He Sun +4
KV caching significantly improves the efficiency of Large Language Model (LLM) inference by storing attention states from previously processed tokens, enabling faster generation of…
LExI: Layer-Adaptive Active Experts for Efficient MoE Model Inference
Krishna Teja Chitty-Venkata, Sandeep Madireddy, Murali Emani +1
Mixture-of-Experts (MoE) models scale efficiently by activating only a subset of experts per token, offering a computationally sparse alternative to dense architectures. While prio…
PreLoRA: Hybrid Pre-training of Vision Transformers with Full Training and Low-Rank Adapters
Krishu K Thapa, Reet Barik, Krishna Teja Chitty-Venkata +2
Training large models ranging from millions to billions of parameters is highly resource-intensive, requiring significant time, compute, and memory. It is observed that most of the…
Aurora: Architecting Argonne's First Exascale Supercomputer for Accelerated Scientific Discovery
William E. Allcock, Benjamin S. Allen, James Anchell +106
Aurora is Argonne National Laboratory's pioneering Exascale supercomputer, designed to accelerate scientific discovery with cutting-edge architectural innovations. Key new technolo…
MoE-Inference-Bench: Performance Evaluation of Mixture of Expert Large Language and Vision Models
Krishna Teja Chitty-Venkata, Sylvia Howland, Golara Azar +5
Mixture of Experts (MoE) models have enabled the scaling of Large Language Models (LLMs) and Vision Language Models (VLMs) by achieving massive parameter counts while maintaining c…
LangVision-LoRA-NAS: Neural Architecture Search for Variable LoRA Rank in Vision Language Models
Krishna Teja Chitty-Venkata, Murali Emani, Venkatram Vishwanath
Vision Language Models (VLMs) integrate visual and text modalities to enable multimodal understanding and generation. These models typically combine a Vision Transformer (ViT) as a…
AI Assistants to Enhance and Exploit the PETSc Knowledge Base
Barry Smith, Junchao Zhang, Hong Zhang +7
Generative AI, especially through large language models (LLMs), is transforming how technical knowledge can be accessed, reused, and extended. PETSc, a widely used numerical librar…
HiPerRAG: High-Performance Retrieval Augmented Generation for Scientific Insights
Ozan Gokdemir, Carlo Siebenschuh, Alexander Brace +21
The volume of scientific literature is growing exponentially, leading to underutilized discoveries, duplicated efforts, and limited cross-disciplinary collaboration. Retrieval Augm…
AdaParse: An Adaptive Parallel PDF Parsing and Resource Scaling Engine
Carlo Siebenschuh, Kyle Hippe, Ozan Gokdemir +10
Language models for scientific tasks are trained on text from scientific publications, most distributed as PDFs that require parsing. PDF parsing approaches range from inexpensive…
BaKlaVa -- Budgeted Allocation of KV cache for Long-context Inference
Ahmed Burak Gulhan, Krishna Teja Chitty-Venkata, Murali Emani +2
In Large Language Model (LLM) inference, Key-Value (KV) caches (KV-caches) are essential for reducing time complexity. However, they result in a linear increase in GPU memory as th…