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Scientific discovery plays a pivotal role in advancing human society, and recent progress in large language models (LLMs) suggests their potential to accelerate this process. However, it remains unclear whether LLMs can autonomously…

Computation and Language · Computer Science 2025-10-28 Zonglin Yang , Wanhao Liu , Ben Gao , Tong Xie , Yuqiang Li , Wanli Ouyang , Soujanya Poria , Erik Cambria , Dongzhan Zhou

Learning from Demonstration~(LfD) should capture not only how a task is executed, but also its high-level task structure that explains the demonstrated behavior. As robots become more autonomous, such task representations must be…

Robotics · Computer Science 2026-05-27 Oleh Borys , Karla Stepanova

We advocate here the use of computational logic for systems biology, as a \emph{unified and safe} framework well suited for both modeling the dynamic behaviour of biological systems, expressing properties of them, and verifying these…

Quantitative Methods · Quantitative Biology 2020-10-07 Elisabetta de Maria , Joelle Despeyroux , Amy Felty , Pietro Liò , Carlos Olarte , Abdorrahim Bahrami

Computational biology and bioinformatics provide vast data gold-mines from protein sequences, ideal for Language Models taken from NLP. These LMs reach for new prediction frontiers at low inference costs. Here, we trained two…

Proteins are the major building blocks of life, and actuators of almost all chemical and biophysical events in living organisms. Their native structures in turn enable their biological functions which have a fundamental role in drug design.…

Inductive Logic Programming (ILP) approaches like Meta \-/ Interpretive Learning (MIL) can learn, from few examples, recursive logic programs with invented predicates that generalise well to unseen instances. This ability relies on a…

Artificial Intelligence · Computer Science 2026-03-05 Stassa Patsantzis

We present a simple, modular graph-based convolutional neural network that takes structural information from protein-ligand complexes as input to generate models for activity and binding mode prediction. Complex structures are generated by…

Biomolecules · Quantitative Biology 2020-02-26 Joseph A. Morrone , Jeffrey K. Weber , Tien Huynh , Heng Luo , Wendy D. Cornell

Recent work on loglinear models in probabilistic constraint logic programming is applied to first-order probabilistic reasoning. Probabilities are defined directly on the proofs of atomic formulae, and by marginalisation on the atomic…

Artificial Intelligence · Computer Science 2013-01-30 James Cussens

A key feature of inductive logic programming (ILP) is its ability to learn first-order programs, which are intrinsically more expressive than propositional programs. In this paper, we introduce techniques to learn higher-order programs.…

Machine Learning · Computer Science 2019-07-26 Andrew Cropper , Rolf Morel , Stephen H. Muggleton

Background: Identification of the interactions and regulatory relations between biomolecules play pivotal roles in understanding complex biological systems and the mechanisms underlying diverse biological functions. However, the collection…

Computation and Language · Computer Science 2025-04-24 Gilchan Park , Byung-Jun Yoon , Xihaier Luo , Vanessa López-Marrero , Shinjae Yoo , Shantenu Jha

This paper describes experiments on learning Dutch phonotactic rules using Inductive Logic Programming, a machine learning discipline based on inductive logical operators. Two different ways of approaching the problem are experimented with,…

Computation and Language · Computer Science 2007-08-14 Stasinos Konstantopoulos

Polyphenols and proteins are essential biomolecules that influence food functionality and, by extension, human health. Their interactions -- hereafter referred to as PhPIs (polyphenol-protein interactions) -- affect key processes such as…

Biomolecules · Quantitative Biology 2025-08-06 Qiang Liu , Tiantian Wang , Binbin Nian , Feiyang Ma , Siqi Zhao , Andrés F. Vásquez , Liping Guo , Chao Ding , Mehdi D. Davari

Without any means of interpretation, neural networks that predict molecular properties and bioactivities are merely black boxes. We will unravel these black boxes and will demonstrate approaches to understand the learned representations…

Machine Learning · Computer Science 2019-03-19 Kristina Preuer , Günter Klambauer , Friedrich Rippmann , Sepp Hochreiter , Thomas Unterthiner

Machine learning methods are growing in relevance for biometrics and personal information processing in domains such as forensics, e-health, recruitment, and e-learning. In these domains, white-box (human-readable) explanations of systems…

Artificial Intelligence · Computer Science 2020-12-02 Alfonso Ortega , Julian Fierrez , Aythami Morales , Zilong Wang , Tony Ribeiro

Inductive reasoning is a core problem-solving capacity: humans can identify underlying principles from a few examples, which robustly generalize to novel scenarios. Recent work evaluates large language models (LLMs) on inductive reasoning…

Machine Learning · Computer Science 2024-06-03 Ruocheng Wang , Eric Zelikman , Gabriel Poesia , Yewen Pu , Nick Haber , Noah D. Goodman

We propose a novel paradigm for solving Inductive Logic Programming (ILP) problems via deep recurrent neural networks. This proposed ILP solver is designed based on differentiable implementation of the deduction via forward chaining. In…

Artificial Intelligence · Computer Science 2019-06-11 Ali Payani , Faramarz Fekri

Intrinsically disordered proteins (IDPs) constitute a broad set of proteins with few uniting and many diverging properties. IDPs-and intrinsically disordered regions (IDRs) interspersed between folded domains-are generally characterized as…

Biomolecules · Quantitative Biology 2021-06-03 Kresten Lindorff-Larsen , Birthe B. Kragelund

The knowledge of potentially druggable binding sites on proteins is an important preliminary step towards the discovery of novel drugs. The computational prediction of such areas can be boosted by following the recent major advances in the…

Biomolecules · Quantitative Biology 2021-02-17 Stelios K. Mylonas , Apostolos Axenopoulos , Petros Daras

Inductive logic programming is a form of machine learning based on mathematical logic that generates logic programs from given examples and background knowledge. In this project, we extend the Popper ILP system to make use of multi-task…

Machine Learning · Computer Science 2022-08-25 Bogdan Cretu , Andrew Cropper

Proteins, as essential biomolecules, play a central role in biological processes, including metabolic reactions and DNA replication. Accurate prediction of their properties and functions is crucial in biological applications. Recent…

Computation and Language · Computer Science 2025-05-30 Wei Wu , Chao Wang , Liyi Chen , Mingze Yin , Yiheng Zhu , Kun Fu , Jieping Ye , Hui Xiong , Zheng Wang
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