Related papers: HelixADMET: a robust and endpoint extensible ADMET…

Alzheimer's disease (AD) cannot be reversed, but early diagnosis will significantly benefit patients' medical treatment and care. In recent works, AD diagnosis has the primary assumption that all categories are known a prior -- a closed-set…

Over the past six years, molecular transformer models have become key tools in drug discovery. Most existing models are pre-trained on large, unlabeled datasets such as ZINC or ChEMBL. However, the extent to which large-scale pre-training…

An Advanced Persistent Threat (APT) is a multistage, highly sophisticated, and covert form of cyber threat that gains unauthorized access to networks to either steal valuable data or disrupt the targeted network. These threats often remain…

Recognizing human locomotion intent and activities is important for controlling the wearable robots while walking in complex environments. However, human-robot interface signals are usually user-dependent, which causes that the classifier…

Early disease detection and prevention methods based on effective interventions are gaining attention. Machine learning technology has enabled precise disease prediction by capturing individual differences in multivariate data. Progress in…

Anomaly detection (AD) is a task that distinguishes normal and abnormal data, which is important for applying automation technologies of the manufacturing facilities. For MVTec dataset that is a representative AD dataset for industrial…

Human mesh recovery (HMR) from a single image is inherently ill-posed due to depth ambiguity and occlusions. Probabilistic methods have tried to solve this by generating numerous plausible 3D human mesh predictions, but they often exhibit…

Imitation learning for robotic manipulation faces a fundamental challenge: the scarcity of large-scale, high-quality robot demonstration data. Recent robotic foundation models often pre-train on cross-embodiment robot datasets to increase…

Delay/Disruption-Tolerant Network (DTN) protocols typically address sparse intermittently connected networks whereas Mobile Ad-hoc Network (MANET) protocols address the fairly stable and fully connected ones. But many intermediate…

This paper introduces EXAdam ($\textbf{EX}$tended $\textbf{Adam}$), a novel optimization algorithm that builds upon the widely-used Adam optimizer. EXAdam incorporates two key enhancements: (1) new debiasing terms for improved moment…

Large Language Models (LLMs) are increasingly being used for interactive decision-making tasks requiring planning and adapting to the environment. Recent works employ LLMs-as-agents in broadly two ways: iteratively determining the next…

Artificial intelligence (AI) agents are emerging as transformative tools in drug discovery, with the ability to autonomously reason, act, and learn through complicated research workflows. Building on large language models (LLMs) coupled…

Motivation: Drug repurposing is a viable solution for reducing the time and cost associated with drug development. However, thus far, the proposed drug repurposing approaches still need to meet expectations. Therefore, it is crucial to…

We introduce adaptive learn-then-test (aLTT), an efficient hyperparameter selection procedure that provides finite-sample statistical guarantees on the population risk of AI models. Unlike the existing learn-then-test (LTT) technique, which…

Recently, large pre-trained models have significantly improved the performance of various Natural LanguageProcessing (NLP) tasks but they are expensive to serve due to long serving latency and large memory usage. To compress these models,…

Data application developers and data scientists spend an inordinate amount of time iterating on machine learning (ML) workflows -- by modifying the data pre-processing, model training, and post-processing steps -- via trial-and-error to…

In computer-aided diagnosis tools employed for skin cancer treatment and early diagnosis, skin lesion segmentation is important. However, achieving precise segmentation is challenging due to inherent variations in appearance, contrast,…

Transformer-based architectures have become the de-facto standard models for diverse vision tasks owing to their superior performance. As the size of the models continues to scale up, model distillation becomes extremely important in…

Diffusion models have become a popular choice for decision-making tasks in robotics, and more recently, are also being considered for solving autonomous driving tasks. However, their applications and evaluations in autonomous driving remain…

Diffusion models achieve great success in generating diverse and high-fidelity images, yet their widespread application, especially in real-time scenarios, is hampered by their inherently slow generation speed. The slow generation stems…