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Ke Zhai 0008

dblp:421/0436 · DBLP profile ↗
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1ranked-venue papers
0as first author
1since 2021 · last 2025
—ORCID · none

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

Artificial intelligence and machine learning · 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.

Interdisciplinary, comprehensive, and emerging computing
1 paper
Bioinformatics and computational biology · 100%
Artificial intelligence
1 paper
Generative modeling · 100%

Topics — the 3 heaviest of 3, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Machine learning › Generative modeling
diffusion model
0.912025
P(all-atom) Is Unlocking New Path For Protein Design · ICML 2025
Bioinformatics and computational biology
protein design
0.912025
P(all-atom) Is Unlocking New Path For Protein Design · ICML 2025
Bioinformatics and computational biology › protein design
protein structure generation
0.912025
P(all-atom) Is Unlocking New Path For Protein Design · ICML 2025

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

tokenization · 1.7recycling mechanism · 1.7dual-track framework · 1.7atom14 representation · 1.7
YearPublicationVenuePosition
2025 P(all-atom) Is Unlocking New Path For Protein Design
abstract
We introduce Pallatom, an innovative protein generation model capable of producing protein structures with all-atom coordinates. Pallatom directly learns and models the joint distribution $P(\textit{structure}, \textit{seq})$ by focusing on $P(\textit{all-atom})$, effectively addressing the interdependence between sequence and structure in protein generation. To achieve this, we propose a novel network architecture specifically designed for all-atom protein generation. Our model employs a dual-track framework that tokenizes proteins into token-level and atomic-level representations, integrating them through a multi-layer decoding process with "traversing" representations and recycling mechanism. We also introduce the $\texttt{atom14}$ representation method, which unifies the description of unknown side-chain coordinates, ensuring high fidelity between the generated all-atom conformation and its physical structure. Experimental results demonstrate that Pallatom excels in key metrics of protein design, including designability, diversity, and novelty, showing significant improvements across the board. Our model not only enhances the accuracy of protein generation but also exhibits excellent sampling efficiency, paving the way for future applications in larger and more complex systems.
Jiawei Guan, Ke Zhai 0008, Weikun Wu
ICML4