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Semi-supervised learning leverages unlabeled data to enhance model performance, addressing the limitations of fully supervised approaches. Among its strategies, pseudo-supervision has proven highly effective, typically relying on one or…

Computer Vision and Pattern Recognition · Computer Science 2025-05-13 Negin Ghamsarian , Sahar Nasirihaghighi , Klaus Schoeffmann , Raphael Sznitman

The ability to accurately model the fitness landscape of protein sequences is critical to a wide range of applications, from quantifying the effects of human variants on disease likelihood, to predicting immune-escape mutations in viruses…

Machine Learning · Computer Science 2022-05-30 Pascal Notin , Mafalda Dias , Jonathan Frazer , Javier Marchena-Hurtado , Aidan Gomez , Debora S. Marks , Yarin Gal

Providing feedback on programming assignments manually is a tedious, error prone, and time-consuming task. In this paper, we motivate and address the problem of generating feedback on performance aspects in introductory programming…

Programming Languages · Computer Science 2014-09-18 Sumit Gulwani , Ivan Radiček , Florian Zuleger

Exact inference in complex probabilistic models often incurs prohibitive computational costs. This challenge is particularly acute for autonomous agents in dynamic environments that require frequent, real-time belief updates. Existing…

Artificial Intelligence · Computer Science 2026-02-10 Simon Kohaut , Benedict Flade , Julian Eggert , Kristian Kersting , Devendra Singh Dhami

Generative artificial intelligence models learn probability distributions from data and produce novel samples that capture the salient properties of their training sets. Proteins are particularly attractive for such approaches given their…

Biomolecules · Quantitative Biology 2026-02-27 Filippo Stocco , Michele Garibbo , Noelia Ferruz

Systems biology models are useful models of complex biological systems that may require a large amount of experimental data to fit each model's parameters or to approximate a likelihood function. These models range from a few to thousands…

Quantitative Methods · Quantitative Biology 2024-07-12 Vincent D. Zaballa , Elliot E. Hui

Advances in deep learning have opened an era of abundant and accurate predicted protein structures; however, similar progress in protein ensembles has remained elusive. This review highlights several recent research directions towards…

Biomolecules · Quantitative Biology 2025-09-23 Bowen Jing , Bonnie Berger , Tommi Jaakkola

Bayesian experimental design (BED) has been used as a method for conducting efficient experiments based on Bayesian inference. The existing methods, however, mostly focus on maximizing the expected information gain (EIG); the cost of…

Machine Learning · Computer Science 2022-02-16 Hikaru Asano

Matching animal-like flexibility in recognition and the ability to quickly incorporate new information remains difficult. Limits are yet to be adequately addressed in neural models and recognition algorithms. This work proposes a…

Computer Vision and Pattern Recognition · Computer Science 2012-06-26 Tsvi Achler

We propose a probabilistic model for interpreting gene expression levels that are observed through single-cell RNA sequencing. In the model, each cell has a low-dimensional latent representation. Additional latent variables account for…

Machine Learning · Computer Science 2018-01-18 Romain Lopez , Jeffrey Regier , Michael Cole , Michael Jordan , Nir Yosef

Retrieval-Augmented Generation (RAG) is increasingly employed in generative AI-driven scientific workflows to integrate rapidly evolving scientific knowledge bases, yet its reliability is frequently compromised by non-determinism in their…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-24 Baiqiang Wang , Dongfang Zhao , Nathan R Tallent , Luanzheng Guo

Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strategies or Monte-Carlo methods for protein design, but often…

Deep neural networks excel at image classification, but their performance is far less robust to input perturbations than human perception. In this work we explore whether this shortcoming may be partly addressed by incorporating…

Computer Vision and Pattern Recognition · Computer Science 2021-11-05 Bhavin Choksi , Milad Mozafari , Callum Biggs O'May , Benjamin Ador , Andrea Alamia , Rufin VanRullen

While generative models have become powerful tools for image synthesis, they are typically optimized for executing carefully crafted textual prompts, offering limited support for the open-ended visual exploration that often precedes idea…

Computer Vision and Pattern Recognition · Computer Science 2026-05-26 Kfir Goldberg , Elad Richardson , Yael Vinker

Autoprompting is the process of automatically selecting optimized prompts for language models, which has been gaining popularity with the rapid advancement of prompt engineering, driven by extensive research in the field of large language…

Computation and Language · Computer Science 2025-08-27 Viktor N. Zhuravlev , Artur R. Khairullin , Ernest A. Dyagin , Alena N. Sitkina , Nikita I. Kulin

Feedback connections play a prominent role in the human brain but have not received much attention in artificial neural network research. Here, a biologically inspired feedback mechanism which gates rectified linear units is proposed. On…

Neural and Evolutionary Computing · Computer Science 2023-01-09 Marco Kemmerling

In this work, we introduce a method to fine-tune a Transformer-based generative model for molecular de novo design. Leveraging the superior sequence learning capacity of Transformers over Recurrent Neural Networks (RNNs), our model can…

Machine Learning · Computer Science 2024-03-11 Pengcheng Xu , Tao Feng , Tianfan Fu , Siddhartha Laghuvarapu , Jimeng Sun

Large Language Models (LLMs) have revolutionized various applications by generating outputs based on given prompts. However, achieving the desired output requires iterative prompt refinement. This paper presents a novel approach that draws…

Machine Learning · Computer Science 2025-01-22 Rupesh Raj Karn

The correct specification of reward models is a well-known challenge in reinforcement learning. Hand-crafted reward functions often lead to inefficient or suboptimal policies and may not be aligned with user values. Reinforcement learning…

Artificial Intelligence · Computer Science 2024-10-24 Muhan Lin , Shuyang Shi , Yue Guo , Behdad Chalaki , Vaishnav Tadiparthi , Ehsan Moradi Pari , Simon Stepputtis , Joseph Campbell , Katia Sycara

Sequential dependencies present a fundamental bottleneck in deploying large-scale autoregressive models, particularly for real-time applications. While traditional optimization approaches like pruning and quantization often compromise model…

Computation and Language · Computer Science 2025-10-09 Yunhai Hu , Zining Liu , Zhenyuan Dong , Tianfan Peng , Bradley McDanel , Sai Qian Zhang