相关论文: The Computational Drug Repositioning without Negat…

Accurate prediction of drug target interactions is critical for accelerating drug discovery and elucidating complex biological mechanisms. In this work, we frame drug target prediction as a link prediction task on heterogeneous biomedical…

Positive-Unlabeled (PU) Learning is a challenge presented by binary classification problems where there is an abundance of unlabeled data along with a small number of positive data instances, which can be used to address chronic disease…

Computational Pathology CPath is an interdisciplinary science that augments developments of computational approaches to analyze and model medical histopathology images. The main objective for CPath is to develop infrastructure and workflows…

Cumulative constraints are central in scheduling with constraint programming, yet propagation is typically performed per constraint, missing multi-resource interactions and causing severe slowdowns on some benchmarks. I present a…

Causal inference requires evaluating models on balanced distributions between treatment and control groups, while training data often exhibits imbalance due to historical decision-making policies. Most conventional statistical methods…

In implicit collaborative filtering, hard negative mining techniques are developed to accelerate and enhance the recommendation model learning. However, the inadvertent selection of false negatives remains a major concern in hard negative…

In this contribution, we are concerned with model order reduction in the context of iterative regularization methods for the solution of inverse problems arising from parameter identification in elliptic partial differential equations. Such…

Every day, poison control centers (PCC) are called for immediate classification and treatment recommendations if an acute intoxication is suspected. Due to the time-sensitive nature of these cases, doctors are required to propose a correct…

Copulas are a powerful tool for modeling multivariate distributions as they allow to separately estimate the univariate marginal distributions and the joint dependency structure. However, known parametric copulas offer limited flexibility…

The appearance of a new dangerous and contagious disease requires the development of a drug therapy faster than what is foreseen by usual mechanisms. Many drug therapy developments consist in investigating through different clinical trials…

Clustering is the task of gathering similar data samples into clusters without using any predefined labels. It has been widely studied in machine learning literature, and recent advancements in deep learning have revived interest in this…

Conformal prediction is a non-parametric technique for constructing prediction intervals or sets from arbitrary predictive models under the assumption that the data is exchangeable. It is popular as it comes with theoretical guarantees on…

Fragment-based shape signature techniques have proven to be powerful tools for computer-aided drug design. They allow scientists to search for target molecules with some similarity to a known active compound. They do not require reference…

Imitation Learning offers a promising approach to learn directly from data without requiring explicit models, simulations, or detailed task definitions. During inference, actions are sampled from the learned distribution and executed on the…

In causal inference, whether through randomized controlled trials or observational studies, access to both treated and control units is essential for estimating the effect of a treatment on an outcome of interest. When treatment assignment…

Deep neural networks (DNNs) achieve state-of-the-art results in a variety of domains. Unfortunately, DNNs are notorious for their non-interpretability, and thus limit their applicability in hypothesis-driven domains such as biology and…

Foundation models for computational pathology are expected to facilitate the development of high-performing, generalisable deep learning systems. However, in addition to biologically relevant features, current foundation models also capture…

The aim of behaviour change is to help people to change aspects of their behaviour for the better (e.g., to decrease calorie intake, to drink in moderation, to take more exercise, to complete a course of antibiotics once started, etc.). In…

We propose a new approach to model composition, based on reducing several models to the same level of complexity and subsequent combining them together. Firstly, we suggest a set of model reduction tools that can be systematically applied…

This study explores the application and performance of Transformational Machine Learning (TML) in drug discovery. TML, a meta learning algorithm, excels in exploiting common attributes across various domains, thus developing composite…