Carla M. Mann

dblp:161/5668 · DBLP profile ↗
← Back
1ranked-venue papers
0as first author
1since 2021 · last 2024
—ORCID · unresolved

Domains — the database's venue-derived domains; a paper can count in several

Systems, architecture and hardware · 1 · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Computer architecture, parallel and distributed computing, and storage systems
1 paper
High-performance computing · 77% GPUs and heterogeneous computing · 23%

Topics — the 2 heaviest of 2, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
High-performance computing
scientific computing systems
0.812024
MProt-DPO: Breaking the ExaFLOPS Barrier for Multimodal Protein Design Workflows with Direct Preference Optimization · SC 2024
GPUs and heterogeneous computing
GPU and heterogeneous computing
0.212024
MProt-DPO: Breaking the ExaFLOPS Barrier for Multimodal Protein Design Workflows with Direct Preference Optimization · SC 2024

Methods — techniques the papers use, named apart from their topics

multimodal generative models · 0.8mixed precision · 0.8direct preference optimization · 0.8
YearPublicationVenuePosition
2024 MProt-DPO: Breaking the ExaFLOPS Barrier for Multimodal Protein Design Workflows with Direct Preference Optimization
abstract
We present a scalable, end-to-end workflow for protein design. By augmenting protein sequences with natural language descriptions of their biochemical properties, we train generative models that can be preferentially aligned with protein fitness landscapes. Through complex experimental-and simulation-based observations, we integrate these measures as preferred parameters for generating new protein variants and demonstrate our workflow on five diverse supercomputers. We achieve >1 ExaFLOPS sustained performance in mixed precision on each supercomputer and a maximum sustained performance of 4.11 Ex-aFLOPS and peak performance of 5.57 ExaFLOPS. We establish the scientific performance of our model on two tasks: (1) across a predetermined benchmark dataset of deep mutational scanning experiments to optimize the fitness-determining mutations in the yeast protein HIS7, and (2) in optimizing the design of the enzyme malate dehydrogenase to achieve lower activation barriers (and therefore increased catalytic rates) using simulation data. Our implementation thus sets high watermarks for multimodal protein design workflows.
Gautham Dharuman, Kyle Hippe, Alex Brace, Sam Foreman, Väinö Hatanpää, Varuni Sastry 0001, Huihuo Zheng, Logan T. Ward, Servesh Muralidharan, Archit Vasan, Bharat Kale, Carla M. Mann, Yun-Hsuan Cheng, Yuliana Zamora, Shengchao Liu, Chaowei Xiao, Murali Emani, Tom Gibbs, Mahidhar Tatineni, Deepak Canchi, Jerome Mitchell, Koichi Yamada, María Jesús Garzarán, Michael E. Papka, Ian T. Foster, Rick L. Stevens, Anima Anandkumar, Venkatram Vishwanath, Arvind Ramanathan
SC12