Artificial intelligence for natural product drug discovery
Developments in computational omics technologies have provided new means to access
the hidden diversity of natural products, unearthing new potential for drug discovery. In …
the hidden diversity of natural products, unearthing new potential for drug discovery. In …
Decision trees: from efficient prediction to responsible AI
This article provides a birds-eye view on the role of decision trees in machine learning and
data science over roughly four decades. It sketches the evolution of decision tree research …
data science over roughly four decades. It sketches the evolution of decision tree research …
Adbench: Anomaly detection benchmark
Given a long list of anomaly detection algorithms developed in the last few decades, how do
they perform with regard to (i) varying levels of supervision,(ii) different types of anomalies …
they perform with regard to (i) varying levels of supervision,(ii) different types of anomalies …
Tabllm: Few-shot classification of tabular data with large language models
We study the application of large language models to zero-shot and few-shot classification
of tabular data. We prompt the large language model with a serialization of the tabular data …
of tabular data. We prompt the large language model with a serialization of the tabular data …
[HTML][HTML] Explainable Artificial Intelligence (XAI) 2.0: A manifesto of open challenges and interdisciplinary research directions
Understanding black box models has become paramount as systems based on opaque
Artificial Intelligence (AI) continue to flourish in diverse real-world applications. In response …
Artificial Intelligence (AI) continue to flourish in diverse real-world applications. In response …
Tabpfn: A transformer that solves small tabular classification problems in a second
We present TabPFN, a trained Transformer that can do supervised classification for small
tabular datasets in less than a second, needs no hyperparameter tuning and is competitive …
tabular datasets in less than a second, needs no hyperparameter tuning and is competitive …
When do neural nets outperform boosted trees on tabular data?
D McElfresh, S Khandagale… - Advances in …, 2024 - proceedings.neurips.cc
Tabular data is one of the most commonly used types of data in machine learning. Despite
recent advances in neural nets (NNs) for tabular data, there is still an active discussion on …
recent advances in neural nets (NNs) for tabular data, there is still an active discussion on …
Machine learning models to accelerate the design of polymeric long-acting injectables
Long-acting injectables are considered one of the most promising therapeutic strategies for
the treatment of chronic diseases as they can afford improved therapeutic efficacy, safety …
the treatment of chronic diseases as they can afford improved therapeutic efficacy, safety …
Xtab: Cross-table pretraining for tabular transformers
The success of self-supervised learning in computer vision and natural language processing
has motivated pretraining methods on tabular data. However, most existing tabular self …
has motivated pretraining methods on tabular data. However, most existing tabular self …
A performance-driven benchmark for feature selection in tabular deep learning
Academic tabular benchmarks often contain small sets of curated features. In contrast, data
scientists typically collect as many features as possible into their datasets, and even …
scientists typically collect as many features as possible into their datasets, and even …