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20202026
most citedA Deep Generative Model for Molecule Optimization via One Fragment Modification

100 citations · 176 across the 15 of their papers we have counts for

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Showing 2023Show all

5 papers · 1 filter

cs.IR2023

Modeling Sequences as Star Graphs to Address Over-smoothing in Self-attentive Sequential Recommendation

Bo Peng, Ziqi Chen, Srinivasan Parthasarathy +1

Self-attention (SA) mechanisms have been widely used in developing sequential recommendation (SR) methods, and demonstrated state-of-the-art performance. However, in this paper, we…

cs.IR2023

Towards Efficient and Effective Adaptation of Large Language Models for Sequential Recommendation

Bo Peng, Ben Burns, Ziqi Chen +2

In recent years, with large language models (LLMs) achieving state-of-the-art performance in context understanding, increasing efforts have been dedicated to developing LLM-enhance…

cs.LG2023

RLSynC: Offline-Online Reinforcement Learning for Synthon Completion

Frazier N. Baker, Ziqi Chen, Daniel Adu-Ampratwum +1

Retrosynthesis is the process of determining the set of reactant molecules that can react to form a desired product. Semi-template-based retrosynthesis methods, which imitate the r…

cs.LG2023★ 8 cited

Shape-conditioned 3D Molecule Generation via Equivariant Diffusion Models

Ziqi Chen, Bo Peng, Srinivasan Parthasarathy +1

Ligand-based drug design aims to identify novel drug candidates of similar shapes with known active molecules. In this paper, we formulated an in silico shape-conditioned molecule…

q-bio.QM2023

T-Cell Receptor Optimization with Reinforcement Learning and Mutation Policies for Precesion Immunotherapy

Ziqi Chen, Martin Renqiang Min, Hongyu Guo +3

T cells monitor the health status of cells by identifying foreign peptides displayed on their surface. T-cell receptors (TCRs), which are protein complexes found on the surface of…