Related papers: Active learning for affinity prediction of antibod…

Transition metal chromophores with earth-abundant transition metals are an important design target for their applications in lighting and non-toxic bioimaging, but their design is challenged by the scarcity of complexes that simultaneously…

Model-based reinforcement learning is an effective approach for controlling an unknown system. It is based on a longstanding pipeline familiar to the control community in which one performs experiments on the environment to collect a…

This paper introduces a novel approach to creating adaptive language agents by integrating active inference with large language models (LLMs). While LLMs demonstrate remarkable capabilities, their reliance on static prompts limits…

Protein-ligand binding prediction is a fundamental problem in AI-driven drug discovery. Prior work focused on supervised learning methods using a large set of binding affinity data for small molecules, but it is hard to apply the same…

Often the development of novel functional peptides is not amenable to high throughput or purely computational screening methods. Peptides must be synthesized one at a time in a process that does not generate large amounts of data. One way…

The advent of large language models (LLMs) capable of producing general-purpose representations lets us revisit the practicality of deep active learning (AL): By leveraging frozen LLM embeddings, we can mitigate the computational costs of…

Simulations are vital for understanding and predicting the evolution of complex molecular systems. However, despite advances in algorithms and special purpose hardware, accessing the timescales necessary to capture the structural evolution…

High accuracy medical image classification can be limited by the costs of acquiring more data as well as the time and expertise needed to label existing images. In this paper, we apply active learning to medical image classification, a…

Active learning in computer experiments aims at allocating resources in an intelligent manner based on the already observed data to satisfy certain objectives such as emulating or optimizing a computationally expensive function. There are…

Modern therapeutic antibody design often involves composing multi-part assemblages of individual functional domains, each of which may be derived from a different source or engineered independently. While these complex formats can expand…

Active learning is of great interest for many practical applications, especially in industry and the physical sciences, where there is a strong need to minimize the number of costly experiments necessary to train predictive models. However,…

Behavioral models are the key enablers for behavioral analysis of Software Product Lines (SPL), including testing and model checking. Active model learning comes to the rescue when family behavioral models are non-existent or outdated. A…

The field of drug discovery hinges on the accurate prediction of binding affinity between prospective drug molecules and target proteins, especially when such proteins directly influence disease progression. However, estimating binding…

A multiagent sequential decision problem has been seen in many critical applications including urban transportation, autonomous driving cars, military operations, etc. Its widely known solution, namely multiagent reinforcement learning, has…

Active learning frameworks offer efficient data annotation without remarkable accuracy degradation. In other words, active learning starts training the model with a small size of labeled data while exploring the space of unlabeled data in…

Deep predictive models rely on human supervision in the form of labeled training data. Obtaining large amounts of annotated training data can be expensive and time consuming, and this becomes a critical bottleneck while building such models…

The aim of Active Learning is to select the most informative samples from an unlabelled set of data. This is useful in cases where the amount of data is large and labelling is expensive, such as in machine vision or medical imaging. Two…

Active learning aims to develop label-efficient algorithms by querying the most informative samples to be labeled by an oracle. The design of efficient training methods that require fewer labels is an important research direction that…

Entity Matching (EM) is a core data cleaning task, aiming to identify different mentions of the same real-world entity. Active learning is one way to address the challenge of scarce labeled data in practice, by dynamically collecting the…

In the world of big data, large but costly to label datasets dominate many fields. Active learning, a semi-supervised alternative to the standard PAC-learning model, was introduced to explore whether adaptive labeling could learn concepts…