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Machine learning (ML) empowers biomedical systems with the capability to optimize their performance through modeling of the available data extremely well, without using strong assumptions about the modeled system. Especially in nano-scale…

When nanoparticles (NPs) are introduced into a biological solution, layers of biomolecules form on their surface, creating a corona. Understanding how the structure of the protein evolves into the corona is essential for evaluating the…

Matching patients to clinical trials is a key unsolved challenge in bringing new drugs to market. Today, identifying patients who meet a trial's eligibility criteria is highly manual, taking up to 1 hour per patient. Automated screening is…

Computation and Language · Computer Science 2024-04-11 Michael Wornow , Alejandro Lozano , Dev Dash , Jenelle Jindal , Kenneth W. Mahaffey , Nigam H. Shah

We consider the problem of aligning a large language model (LLM) to model the preferences of a human population. Modeling the beliefs, preferences, and behaviors of a specific population can be useful for a variety of different…

Computation and Language · Computer Science 2024-04-01 Keiichi Namikoshi , Alex Filipowicz , David A. Shamma , Rumen Iliev , Candice L. Hogan , Nikos Arechiga

The use of machine learning in Healthcare has the potential to improve patient outcomes as well as broaden the reach and affordability of Healthcare. The history of other application areas indicates that strong benchmarks are essential for…

Machine learning in medicine leverages the wealth of healthcare data to extract knowledge, facilitate clinical decision-making, and ultimately improve care delivery. However, ML models trained on datasets that lack demographic diversity…

Machine Learning · Computer Science 2021-11-19 Songzi Liu , Yuan Luo

The interactions between tumor cells and the tumor microenvironment (TME) dictate therapeutic efficacy of radiation and many systemic therapies in breast cancer. However, to date, there is not a widely available method to reproducibly…

Resource-efficient training optimization techniques are becoming increasingly important as the size of large language models (LLMs) continues to grow. In particular, batch packing is commonly used in pre-training and supervised fine-tuning…

Computation and Language · Computer Science 2026-03-02 Jaekyung Cho

Automated negotiation in complex, multi-party and multi-issue settings critically depends on accurate opponent modeling. However, conventional numerical-only approaches fail to capture the qualitative information embedded in natural…

Product key memory (PKM) proposed by Lample et al. (2019) enables to improve prediction accuracy by increasing model capacity efficiently with insignificant computational overhead. However, their empirical application is only limited to…

Computation and Language · Computer Science 2020-10-09 Gyuwan Kim , Tae-Hwan Jung

A key task in ML is to optimize models at various stages, e.g. by choosing hyperparameters or picking a stopping point. A traditional ML approach is to use validation loss, i.e. to apply the training loss function on a validation set to…

Machine Learning · Computer Science 2026-01-23 Charles B. Delahunt , Courosh Mehanian , Daniel E. Shea , Matthew P. Horning

The problem of chemotherapy treatment optimization can be defined in order to minimize the size of the tumor without endangering the patient's health; therefore, chemotherapy requires to achieve a number of objectives, simultaneously. For…

Neural and Evolutionary Computing · Computer Science 2023-03-21 Mina Jafari , Behnam Ghavami , Vahid Sattari Naeini

While machine learning (ML) has made significant contributions to the biopharmaceutical field, its applications are still in the early stages in terms of providing direct support for quality-by-design based development and manufacturing of…

Machine Learning · Computer Science 2023-10-17 Thanh Tung Khuat , Robert Bassett , Ellen Otte , Alistair Grevis-James , Bogdan Gabrys

Acute Myeloid Leukemia (AML) is one of the most aggressive types of hematological neoplasm. To support the specialists' decision about the appropriate therapy, patients with AML receive a prognostic of outcomes according to their…

Machine Learning · Computer Science 2024-05-30 Jade M. Almeida , Giovanna A. Castro , João A. Machado-Neto , Tiago A. Almeida

Several mating restriction techniques have been implemented in Evolutionary Algorithms to promote diversity. From similarity-based selection to niche preservation, the general goal is to avoid premature convergence by not having fitness…

Neural and Evolutionary Computing · Computer Science 2025-04-09 José Maria Simões , Nuno Lourenço , Penousal Machado

Aligning language models (LMs) with preferences is an important problem in natural language generation. A key challenge is that preferences are typically provided at the sequence level while LM training and generation both occur at the…

Computation and Language · Computer Science 2025-01-09 Shentao Yang , Shujian Zhang , Congying Xia , Yihao Feng , Caiming Xiong , Mingyuan Zhou

Developing new drugs for target diseases is a time-consuming and expensive task, drug repurposing has become a popular topic in the drug development field. As much health claim data become available, many studies have been conducted on the…

Machine Learning · Computer Science 2023-02-22 Yaobin Ling , Pulakesh Upadhyaya , Luyao Chen , Xiaoqian Jiang , Yejin Kim

The global need for effective disease diagnosis remains substantial, given the complexities of various disease mechanisms and diverse patient symptoms. To tackle these challenges, researchers, physicians, and patients are turning to machine…

Machine Learning · Computer Science 2023-10-27 S M Atikur Rahman , Sifat Ibtisum , Ehsan Bazgir , Tumpa Barai

Generalization beyond training data remains a central challenge in machine learning for biology. A common way to enhance generalization is self-supervised pre-training on large datasets. However, aiming to perform well on all possible…

We explore optimally training protein language models, an area of significant interest in biological research where guidance on best practices is limited. Most models are trained with extensive compute resources until performance gains…

Machine Learning · Computer Science 2024-11-05 Xingyi Cheng , Bo Chen , Pan Li , Jing Gong , Jie Tang , Le Song