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Generating new molecules with specified chemical and biological properties via generative models has emerged as a promising direction for drug discovery. However, existing methods require extensive training/fine-tuning with a large dataset,…

Quantitative Methods · Quantitative Biology 2023-04-25 Zichao Wang , Weili Nie , Zhuoran Qiao , Chaowei Xiao , Richard Baraniuk , Anima Anandkumar

Hidden Markov models and their variants are the predominant sequential classification method in such domains as speech recognition, bioinformatics and natural language processing. Being generative rather than discriminative models, however,…

Machine Learning · Statistics 2013-02-18 John A. Quinn , Masashi Sugiyama

This paper studies the inference of the regression coefficient matrix under multivariate response linear regressions in the presence of hidden variables. A novel procedure for constructing confidence intervals of entries of the coefficient…

Methodology · Statistics 2022-01-21 Xin Bing , Wei Cheng , Huijie Feng , Yang Ning

The sheer amounts of biological data that are generated in recent years have driven the development of network analysis tools to facilitate the interpretation and representation of these data. A fundamental challenge in this domain is the…

Quantitative Methods · Quantitative Biology 2013-07-31 Arnon Mazza , Irit Gat-Viks , Hesso Farhan , Roded Sharan

We consider the task of learning mappings from sequential data to real-valued responses. We present and evaluate an approach to learning a type of hidden Markov model (HMM) for regression. The learning process involves inferring the…

Machine Learning · Computer Science 2012-06-18 Keith Noto , Mark Craven

Time series are used in many domains including finance, engineering, economics and bioinformatics generally to represent the change of a measurement over time. Modeling techniques may then be used to give a synthetic representation of such…

Methodology · Statistics 2013-12-30 Faicel Chamroukhi , Allou Samé , Gérard Govaert , Patrice Aknin

T cells are central to the adaptive immune response, capable of detecting pathogenic antigens while ignoring healthy tissues with remarkable specificity and sensitivity. Quantitatively understanding how T cell receptors (TCRs) discriminate…

Molecular Networks · Quantitative Biology 2025-11-25 François X. P. Bourassa , Sooraj Achar , Grégoire Altan-Bonnet , Paul François

When analysing gene expression time series data an often overlooked but crucial aspect of the model is that the regulatory network structure may change over time. Whilst some approaches have addressed this problem previously in the…

Molecular Networks · Quantitative Biology 2012-03-05 Thomas Thorne , Michael P. H Stumpf

A fundamental characteristic of natural language is the high rate at which speakers produce novel expressions. Because of this novelty, a heavy-tail of rare events accounts for a significant amount of the total probability mass of…

Computation and Language · Computer Science 2022-03-25 Benjamin LeBrun , Alessandro Sordoni , Timothy J. O'Donnell

Abstract Recent advances in immunology and synthetic biology have accelerated the development of deep generative methods for DNA sequence design. Two dominant approaches in this field are AutoRegressive (AR) models and Diffusion Models…

Genomics · Quantitative Biology 2024-10-30 Zehui Li , Yuhao Ni , Guoxuan Xia , William Beardall , Akashaditya Das , Guy-Bart Stan , Yiren Zhao

Statistical analysis of evolutionary-related protein sequences provides insights about their structure, function, and history. We show that Restricted Boltzmann Machines (RBM), designed to learn complex high-dimensional data and their…

Quantitative Methods · Quantitative Biology 2019-02-28 Jérôme Tubiana , Simona Cocco , Rémi Monasson

Distribution regression refers to the supervised learning problem where labels are only available for groups of inputs instead of individual inputs. In this paper, we develop a rigorous mathematical framework for distribution regression…

Machine Learning · Computer Science 2021-09-30 Maud Lemercier , Cristopher Salvi , Theodoros Damoulas , Edwin V. Bonilla , Terry Lyons

Antibody therapeutics are among the most successful modern medicines, yet computationally designing antibodies with desirable binding and developability properties remains challenging. While protein language models (pLMs) have emerged as…

Machine Learning · Computer Science 2026-05-11 Justin Sanders , Luca Giancardo , Lan Guo , Yue Zhao , Kemal Sonmez , Nina Cheng , Melih Yilmaz

Structured distributions, i.e. distributions over combinatorial spaces, are commonly used to learn latent probabilistic representations from observed data. However, scaling these models is bottlenecked by the high computational and memory…

Computation and Language · Computer Science 2022-01-11 Justin T. Chiu , Yuntian Deng , Alexander M. Rush

Memory data are ubiquitous in Large Language Model (LLM)-based agents (e.g., OpenClaw and Manus). A few recent works have attempted to exploit agents'memory for improving their performance on the question-answering (QA) task, but they lack…

Computation and Language · Computer Science 2026-05-18 Jiawei Yu , Yixiang Fang , Xilin Liu , Yuchi Ma

This work focuses on the problem of reconstructing a 3D human body mesh from a given 2D image. Despite the inherent ambiguity of the task of human mesh recovery, most existing works have adopted a method of regressing a single output. In…

Computer Vision and Pattern Recognition · Computer Science 2023-08-21 Hanbyel Cho , Junmo Kim

Differential equations (DEs) are crucial for modeling the evolution of natural or engineered systems. Traditionally, the parameters in DEs are adjusted to fit data from system observations. However, in fields such as politics, economics,…

Machine Learning · Computer Science 2024-12-30 Hyunwoo Cho , Sung Woong Cho , Hyeontae Jo , Hyung Ju Hwang

We develop an unsupervised probabilistic model for heterogeneous Electronic Health Record (EHR) data. Utilizing a mixture model formulation, our approach directly models sequences of arbitrary length, such as medications and laboratory…

Machine Learning · Computer Science 2022-09-02 Alan D. Kaplan , John D. Greene , Vincent X. Liu , Priyadip Ray

Biological classification with interpretability remains a challenging task. For this, we introduce a novel encoding framework, Multi-Scale Reversible Chaos Game Representation (MS-RCGR), that transforms biological sequences into…

Machine Learning · Computer Science 2026-04-21 Sarwan Ali , Taslim Murad

We present significant extensions to diffusion-based sequence generation models, blurring the line with autoregressive language models. We introduce hyperschedules, which assign distinct noise schedules to individual token positions,…

Machine Learning · Computer Science 2025-10-08 Nima Fathi , Torsten Scholak , Pierre-André Noël