相关论文: Toxicity Prediction using Deep Learning

Over the past few years, we have seen fundamental breakthroughs in core problems in machine learning, largely driven by advances in deep neural networks. At the same time, the amount of data collected in a wide array of scientific domains…

Since the 2004 DARPA Grand Challenge, the autonomous driving technology has witnessed nearly two decades of rapid development. Particularly, in recent years, with the application of new sensors and deep learning technologies extending to…

In the pursuit of developing Large Language Models (LLMs) that adhere to societal standards, it is imperative to detect the toxicity in the generated text. The majority of existing toxicity metrics rely on encoder models trained on specific…

Electron-impact ionization cross sections of atoms and molecules are essential for plasma modelling. However, experimentally determining the absolute cross sections is not easy, and ab initio calculations become computationally prohibitive…

Building robust online content recommendation systems requires learning complex interactions between user preferences and content features. The field has evolved rapidly in recent years from traditional multi-arm bandit and collaborative…

Predicting drug side-effects before they occur is a key task in keeping the number of drug-related hospitalizations low and to improve drug discovery processes. Automatic predictors of side-effects generally are not able to process the…

Data poisoning attacks, in which an adversary corrupts a training set with the goal of inducing specific desired mistakes, have raised substantial concern: even just the possibility of such an attack can make a user no longer trust the…

With the rise of artificial intelligence and machine learning in modern computing, one of the major concerns regarding such techniques is to provide privacy and security against adversaries. We present this survey paper to cover the most…

Recent advances and achievements of artificial intelligence (AI) as well as deep and graph learning models have established their usefulness in biomedical applications, especially in drug-drug interactions (DDIs). DDIs refer to a change in…

Over the past decade, Artificial Intelligence has significantly advanced, mostly driven by large-scale neural approaches. However, in the chemical process industry, where safety is critical, these methods are often unsuitable due to their…

Adversarial training (AT) is a robust learning algorithm that can defend against adversarial attacks in the inference phase and mitigate the side effects of corrupted data in the training phase. As such, it has become an indispensable…

Data poisoning -- the process by which an attacker takes control of a model by making imperceptible changes to a subset of the training data -- is an emerging threat in the context of neural networks. Existing attacks for data poisoning…

The world is becoming more globalized every day and people can buy products from almost every country in the world in their local stores. Given the different food and feed safety laws from country to country, the European Union began to…

The Absorption, Distribution, Metabolism, Elimination, and Toxicity (ADMET) properties of drug candidates are estimated to account for up to 50% of all clinical trial failures. Predicting ADMET properties has therefore been of great…

Breast cancer is one of the leading fatal disease worldwide with high risk control if early discovered. Conventional method for breast screening is x-ray mammography, which is known to be challenging for early detection of cancer lesions.…

Skin cancer is a serious and potentially fatal disease caused by DNA damage. Early detection significantly increases survival rates, making accurate diagnosis crucial. In this groundbreaking study, we present a hybrid framework based on…

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…

Deep learning models are vulnerable to various adversarial manipulations of their training data, parameters, and input sample. In particular, an adversary can modify the training data and model parameters to embed backdoors into the model,…

Language is a deep-rooted means of perpetration of stereotypes and discrimination. Large Language Models (LLMs), now a pervasive technology in our everyday lives, can cause extensive harm when prone to generating toxic responses. The…

Polythene has always been a threat to the environment since its invention. It is non-biodegradable and very difficult to recycle. Even after many awareness campaigns and practices, Separation of polythene bags from waste has been a…