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Revealing the functional sites of biological sequences, such as evolutionary conserved, structurally interacting or co-evolving protein sites, is a fundamental, and yet challenging task. Different frameworks and models were developed to…

Quantitative Methods · Quantitative Biology 2019-06-07 Justas Dauparas , Haobo Wang , Avi Swartz , Peter Koo , Mor Nitzan , Sergey Ovchinnikov

The collection of data on populations of networks is becoming increasingly common, where each data point can be seen as a realisation of a network-valued random variable. A canonical example is that of brain networks: a typical neuroimaging…

Methodology · Statistics 2021-04-13 Brieuc Lehmann , Simon White

In many applications of finance, biology and sociology, complex systems involve entities interacting with each other. These processes have the peculiarity of evolving over time and of comprising latent factors, which influence the system…

Machine Learning · Statistics 2018-08-03 Federico Tomasi , Veronica Tozzo , Saverio Salzo , Alessandro Verri

Drug-target interaction (DTI) prediction is of great significance for drug discovery and drug repurposing. With the accumulation of a large volume of valuable data, data-driven methods have been increasingly harnessed to predict DTIs,…

Machine Learning · Computer Science 2025-11-11 Yuhao Zhang , Qinghong Guo , Qixian Chen , Liuwei Zhang , Hongyan Cui , Xiyi Chen

Probabilistic Computation Tree Logic (PCTL) and Continuous Stochastic Logic (CSL) are often used to describe specifications of probabilistic properties for discrete time and continuous time, respectively. In PCTL and CSL, the possibility of…

Logic in Computer Science · Computer Science 2011-11-15 Takashi Tomita , Shigeki Hagihara , Naoki Yonezaki

Motivation: Modern biobanks, with unprecedented sample sizes and phenotypic diversity, have become foundational resources for genomic studies, enabling powerful cross-phenotype and population-scale analyses. As studies grow in complexity,…

Applications · Statistics 2026-04-30 Yiran Li , John Whittaker , Sylvia Richardson , Helene Ruffieux

Phenotypic variation is a hallmark of cellular physiology. Metabolic heterogeneity, in particular, underpins single-cell phenomena such as microbial drug tolerance and growth variability. Much research has focussed on transcriptomic and…

Molecular Networks · Quantitative Biology 2019-01-31 Mona K. Tonn , Philipp Thomas , Mauricio Barahona , Diego A Oyarzún

Hyperproperties are properties of sets of computation traces. In this paper, we study quantitative hyperproperties, which we define as hyperproperties that express a bound on the number of traces that may appear in a certain relation. For…

Logic in Computer Science · Computer Science 2019-06-03 Bernd Finkbeiner , Christopher Hahn , Hazem Torfah

Drug toxicity remains a major challenge in pharmaceutical development. Recent machine learning models have improved in silico toxicity prediction, but their reliance on annotated data and lack of interpretability limit their applicability.…

Machine Learning · Computer Science 2025-11-06 Jueon Park , Yein Park , Minju Song , Soyon Park , Donghyeon Lee , Seungheun Baek , Jaewoo Kang

Systems neuroscience relies on two complementary views of neural data, characterized by single neuron tuning curves and analysis of population activity. These two perspectives combine elegantly in neural latent variable models that…

Multitask Reinforcement Learning (MTRL) approaches have gained increasing attention for its wide applications in many important Reinforcement Learning (RL) tasks. However, while recent advancements in MTRL theory have focused on the…

Machine Learning · Statistics 2024-03-07 Ziping Xu , Zifan Xu , Runxuan Jiang , Peter Stone , Ambuj Tewari

Object detection, segmentation and classification are three common tasks in medical image analysis. Multi-task deep learning (MTL) tackles these three tasks jointly, which provides several advantages saving computing time and resources and…

Computer Vision and Pattern Recognition · Computer Science 2019-06-06 Fei Gao , Hyunsoo Yoon , Teresa Wu , Xianghua Chu

We present a novel approach to selective model quantization that transcends the limitations of architecture-specific and size-dependent compression methods for Large Language Models (LLMs) using Entropy-Weighted Quantization (EWQ). By…

Machine Learning · Computer Science 2025-03-10 Alireza Behtash , Marijan Fofonjka , Ethan Baird , Tyler Mauer , Hossein Moghimifam , David Stout , Joel Dennison

Reliable in silico molecular toxicity prediction is a cornerstone of modern drug discovery, offering a scalable alternative to experimental screening. However, the black-box nature of state-of-the-art models remains a significant barrier to…

Computational Engineering, Finance, and Science · Computer Science 2025-12-15 Kwun Sy Lee , Jiawei Chen , Fuk Sheng Ford Chung , Tianyu Zhao , Zhenyuan Chen , Debby D. Wang

The application of deep learning methods, particularly foundation models, in biological research has surged in recent years. These models can be text-based or trained on underlying biological data, especially omics data of various types.…

Artificial Intelligence · Computer Science 2024-12-06 Yoav Kan-Tor , Michael Morris Danziger , Eden Zohar , Matan Ninio , Yishai Shimoni

The processes taking place inside the living cell are now understood to the point where predictive computational models can be used to gain detailed understanding of important biological phenomena. A key challenge is to extrapolate this…

Tissues and Organs · Quantitative Biology 2018-10-26 Stefan Engblom Daniel B. Wilson , Ruth E. Baker

Multispecific antibodies offer transformative therapeutic potential by engaging multiple epitopes simultaneously, yet their efficacy is an emergent property governed by complex molecular architectures. Rational design is often bottlenecked…

Purpose: Surgery scene understanding with tool-tissue interaction recognition and automatic report generation can play an important role in intra-operative guidance, decision-making and postoperative analysis in robotic surgery. However,…

Artificial Intelligence · Computer Science 2022-11-29 Lalithkumar Seenivasan , Mobarakol Islam , Mengya Xu , Chwee Ming Lim , Hongliang Ren

Background. A large number of algorithms is being developed to reconstruct evolutionary models of individual tumours from genome sequencing data. Most methods can analyze multiple samples collected either through bulk multi-region…

Genomics · Quantitative Biology 2019-03-26 Daniele Ramazzotti , Alex Graudenzi , Luca De Sano , Marco Antoniotti , Giulio Caravagna

Graphical structure learning is an effective way to assess and visualize cross-biomarker dependencies in biomedical settings. Standard approaches to estimating graphs rely on conditional independence tests that may not be sensitive to…

Methodology · Statistics 2024-11-28 Zain Khan , Daniel Malinsky , Martin Picard , Alan A. Cohen , Columbia SOH Group , Ying Wei
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