activity
20132026
most citedModeling polypharmacy side effects with graph convolutional networks

1.5k citations · 6.9k across the 102 of their papers we have counts for

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Showing 2023Show all

11 papers · 1 filter

cs.HC2023

Is Ignorance Bliss? The Role of Post Hoc Explanation Faithfulness and Alignment in Model Trust in Laypeople and Domain Experts

Tessa Han, Yasha Ektefaie, Maha Farhat +2

Post hoc explanations have emerged as a way to improve user trust in machine learning models by providing insight into model decision-making. However, explanations tend to be evalu…

cond-mat.mtrl-sci2023★ 2 cited

Compositional Representation of Polymorphic Crystalline Materials

Namkyeong Lee, Heewoong Noh, Gyoung S. Na +4

Machine learning (ML) has seen promising developments in materials science, yet its efficacy largely depends on detailed crystal structural data, which are often complex and hard t…

cs.AI2023★ 1 cited

Let's Think Outside the Box: Exploring Leap-of-Thought in Large Language Models with Creative Humor Generation

Shanshan Zhong, Zhongzhan Huang, Shanghua Gao +4

Chain-of-Thought (CoT) guides large language models (LLMs) to reason step-by-step, and can motivate their logical reasoning ability. While effective for logical tasks, CoT is not c…

q-bio.BM2023★ 3 cited

Full-Atom Protein Pocket Design via Iterative Refinement

Zaixi Zhang, Zepu Lu, Zhongkai Hao +2

The design of \emph{de novo} functional proteins that bind specific ligand molecules is paramount in therapeutics and bio-engineering. A critical yet formidable task in this endeav…

cs.LG2023

Graph AI in Medicine

Ruth Johnson, Michelle M. Li, Ayush Noori +2

In clinical artificial intelligence (AI), graph representation learning, mainly through graph neural networks (GNNs), stands out for its capability to capture intricate relationshi…

q-bio.MN2023★ 108 cited

Current and future directions in network biology

Marinka Zitnik, Michelle M. Li, Aydin Wells +34

Network biology is an interdisciplinary field bridging computational and biological sciences that has proved pivotal in advancing the understanding of cellular functions and diseas…