相关论文: $\texttt{MiniMol}$: A Parameter-Efficient Foundati…

Multi-task learning (MTL) aims to improve the generalization of several related tasks by learning them jointly. As a comparison, in addition to the joint training scheme, modern meta-learning allows unseen tasks with limited labels during…

Machine learning potentials are an important tool for molecular simulation, but their development is held back by a shortage of high quality datasets to train them on. We describe the SPICE dataset, a new quantum chemistry dataset for…

Artificial Intelligence (AI) and Machine Learning (ML) are weaving their way into the fabric of society, where they are playing a crucial role in numerous facets of our lives. As we witness the increased deployment of AI and ML in various…

Model-Agnostic Meta-Learning (MAML), a popular gradient-based meta-learning framework, assumes that the contribution of each task or instance to the meta-learner is equal. Hence, it fails to address the domain shift between base and novel…

We present a novel 4.5B parameter small language model that can handle multiple input and output modalities, including text, images, videos, and audio. Despite its small size, the model achieves near state-of-the-art performance on a…

Data scarcity is a major limiting factor for applying modern machine learning techniques to clinical tasks. Although sufficient data exists for some well-studied medical tasks, there remains a long tail of clinically relevant tasks with…

This paper proposes a new principled multi-task representation learning framework (InfoMTL) to extract noise-invariant sufficient representations for all tasks. It ensures sufficiency of shared representations for all tasks and mitigates…

Foundation models are multi-dataset and multi-task machine learning methods that once pre-trained can be fine-tuned for a large variety of downstream applications. The successful development of such general-purpose models for physics data…

This paper introduces M$^{3}$-20M, a large-scale Multi-Modal Molecule dataset that contains over 20 million molecules, with the data mainly being integrated from existing databases and partially generated by large language models. Designed…

The integration of deep learning, particularly AI-Generated Content, with high-quality data derived from ab initio calculations has emerged as a promising avenue for transforming the landscape of scientific research. However, the challenge…

Adapting models pre-trained on large-scale datasets to a variety of downstream tasks is a common strategy in deep learning. Consequently, parameter-efficient fine-tuning methods have emerged as a promising way to adapt pre-trained models to…

The quest for accurate prediction of drug molecule properties poses a fundamental challenge in the realm of Artificial Intelligence Drug Discovery (AIDD). An effective representation of drug molecules emerges as a pivotal component in this…

The widespread use of Magnetic Resonance Imaging (MRI) in combination with deep learning shows promise for many high-impact automated diagnostic and prognostic tools. However, training new models requires large amounts of labeled data, a…

The human ability to easily solve multimodal tasks in context (i.e., with only a few demonstrations or simple instructions), is what current multimodal systems have largely struggled to imitate. In this work, we demonstrate that the…

Significant interests have recently risen in leveraging sequence-based large language models (LLMs) for drug design. However, most current applications of LLMs in drug discovery lack the ability to comprehend three-dimensional (3D)…

In this paper we present a technique to train neural network models on small amounts of data. Current methods for training neural networks on small amounts of rich data typically rely on strategies such as fine-tuning a pre-trained neural…

Recent advances in clinical AI have enabled remarkable progress across many clinical domains. However, existing benchmarks and models are primarily limited to a small set of modalities and tasks, which hinders the development of large-scale…

Recently, Language Models (LMs) instruction-tuned on multiple tasks, also known as multitask-prompted fine-tuning (MT), have shown the capability to generalize to unseen tasks. Previous work has shown that scaling the number of training…

Molecules and materials are the foundation for the development of modern advanced industries such as energy storage systems and semiconductor devices. However, traditional trial-and-error methods or theoretical calculations are highly…

Code language models have emerged as useful tools for various programming tasks, yet they often struggle when it comes to complex ones. In this paper, we explore the potential of curriculum learning in enhancing the performance of these…