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Li Li 0060

dblp:53/2189-60 · DBLP profile ↗
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2ranked-venue papers
0as first author
2since 2021 · last 2021
—ORCID · none

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

Artificial intelligence and machine learning · 2 · 2 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.

Artificial intelligence
2 papers
Trustworthy machine learning · 67% Generative modeling · 33%
Interdisciplinary, comprehensive, and emerging computing
1 paper
Computational science and engineering · 100%
Theoretical computer science
1 paper
Algorithms and data structures · 100%

Topics — the 6 heaviest of 6, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Machine learning › Generative modeling
energy-based model
0.512021
Towards understanding retrosynthesis by energy-based models · NeurIPS 2021
Machine learning › Trustworthy machine learning
interpretability
0.512021
Scaling Symbolic Methods using Gradients for Neural Model Explanation · ICLR 2021
Machine learning › Trustworthy machine learning › interpretability
model explanation
0.512021
Scaling Symbolic Methods using Gradients for Neural Model Explanation · ICLR 2021
Computational science and engineering
computational chemistry
0.512021
Towards understanding retrosynthesis by energy-based models · NeurIPS 2021
Computational science and engineering › computational chemistry
retrosynthetic planning
0.512021
Towards understanding retrosynthesis by energy-based models · NeurIPS 2021
Algorithms and data structures
symbolic computation
0.512021
Scaling Symbolic Methods using Gradients for Neural Model Explanation · ICLR 2021

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

symbolic reasoning · 1.0language model · 1.0graph neural network · 1.0gradient-based search · 1.0energy-based model · 1.0
YearPublicationVenuePosition
2021 Scaling Symbolic Methods using Gradients for Neural Model Explanation
Subham Sekhar Sahoo, Subhashini Venugopalan, Li Li 0060, Rishabh Singh, Patrick F. Riley
ICLR3
2021 Towards understanding retrosynthesis by energy-based models
abstract
Retrosynthesis is the process of identifying a set of reactants to synthesize a target molecule. It is of vital importance to material design and drug discovery. Existing machine learning approaches based on language models and graph neural networks have achieved encouraging results. However, the inner connections of these models are rarely discussed, and rigorous evaluations of these models are largely in need. In this paper, we propose a framework that unifies sequence- and graph-based methods as energy-based models (EBMs) with different energy functions. This unified view establishes connections and reveals the differences between models, thereby enhancing our understanding of model design. We also provide a comprehensive assessment of performance to the community. Moreover, we present a novel dual variant within the framework that performs consistent training to induce the agreement between forward- and backward-prediction. This model improves the state-of-the-art of template-free methods with or without reaction types.
Ruoxi Sun 0002, Hanjun Dai, Li Li 0060, Steven Kearnes, Bo Dai 0001
NeurIPS3