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Spatio-temporal reasoning in time series involves the explicit synthesis of temporal dynamics, spatial dependencies, and textual context. This capability is vital for high-stakes decision-making in systems such as traffic networks, power…

Computation and Language · Computer Science 2026-04-24 Juntong Ni , Shiyu Wang , Qi He , Ming Jin , Wei Jin

Bridging the exponentially growing gap between the numbers of unlabeled and labeled protein sequences, several studies adopted semi-supervised learning for protein sequence modeling. In these studies, models were pre-trained with a…

Biomolecules · Quantitative Biology 2021-09-20 Seonwoo Min , Seunghyun Park , Siwon Kim , Hyun-Soo Choi , Byunghan Lee , Sungroh Yoon

Latent spaces offer an efficient and effective means of summarizing data while implicitly preserving meta-information through relational encoding. We leverage these meta-embeddings to develop a modality-agnostic, unified encoder. Our method…

Signal Processing · Electrical Eng. & Systems 2025-07-22 Abdullah Ahmed , Jeremy Gummeson

Proteins are shaped by gradual evolution under biophysical and functional constraints. Protein language models learn rich evolutionary constraints from large-scale sequences, and discrete diffusion-based protein language models~(\eg, DPLMs)…

Machine Learning · Computer Science 2026-05-14 Xinyou Wang , Liang Hong , Jiasheng Ye , Zaixiang Zheng , Yu Li , Shujian Huang , Quanquan Gu

Generative protein language models are a natural way to design new proteins with desired functions. However, current models are either difficult to direct to produce a protein from a specific family of interest, or must be trained on a…

Quantitative Methods · Quantitative Biology 2024-01-08 Timothy F. Truong , Tristan Bepler

Efficient exploration of the chemical space to search the candidate drugs that satisfy various constraints is a fundamental task of drug discovery. Advanced deep generative methods attempt to optimize the molecules in the compact latent…

Machine Learning · Computer Science 2023-11-16 Zhiyuan Chen , Xiaomin Fang , Zixu Hua , Yueyang Huang , Fan Wang , Hua Wu

In many reinforcement learning (RL) applications, the observation space is specified by human developers and restricted by physical realizations, and may thus be subject to dramatic changes over time (e.g. increased number of observable…

Machine Learning · Computer Science 2022-04-07 Yanchao Sun , Ruijie Zheng , Xiyao Wang , Andrew Cohen , Furong Huang

We propose ReDense as a simple and low complexity way to improve the performance of trained neural networks. We use a combination of random weights and rectified linear unit (ReLU) activation function to add a ReLU dense (ReDense) layer to…

Machine Learning · Computer Science 2020-10-27 Alireza M. Javid , Sandipan Das , Mikael Skoglund , Saikat Chatterjee

State-of-the-art saliency prediction methods develop upon model architectures or loss functions; while training to generate one target saliency map. However, publicly available saliency prediction datasets can be utilized to create more…

Computer Vision and Pattern Recognition · Computer Science 2020-09-01 Sandeep Mishra , Oindrila Saha

Energy-based language models (ELMs) parameterize an unnormalized distribution for natural sentences and are radically different from popular autoregressive language models (ALMs). As an important application, ELMs have been successfully…

Computation and Language · Computer Science 2023-05-30 Hong Liu , Zhaobiao Lv , Zhijian Ou , Wenbo Zhao , Qing Xiao

Supervised Fine-Tuning (SFT) Large Language Models (LLM) fundamentally rely on high-quality training data. While data selection and data synthesis are two common strategies to improve data quality, existing approaches often face limitations…

Computation and Language · Computer Science 2025-10-23 Zinan Tang , Xin Gao , Qizhi Pei , Zhuoshi Pan , Mengzhang Cai , Jiang Wu , Conghui He , Lijun Wu

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional…

Biomolecules · Quantitative Biology 2023-10-20 Markus J. Buehler

PRefLexOR (Preference-based Recursive Language Modeling for Exploratory Optimization of Reasoning) combines preference optimization with concepts from Reinforcement Learning to enable models to self-teach through iterative reasoning…

Artificial Intelligence · Computer Science 2024-10-17 Markus J. Buehler

Autoformalization, which translates natural language mathematics into machine-verifiable formal statements, is critical for using formal mathematical reasoning to solve math problems stated in natural language. While Large Language Models…

Computation and Language · Computer Science 2026-02-11 Guoxin Chen , Jing Wu , Xinjie Chen , Wayne Xin Zhao , Ruihua Song , Chengxi Li , Kai Fan , Dayiheng Liu , Minpeng Liao

We use transductive regression techniques to learn mappings between source and target features of given parallel corpora and use these mappings to generate machine translation outputs. We show the effectiveness of $L_1$ regularized…

Computation and Language · Computer Science 2024-07-01 Ergun Biçici

Large language models (LLMs) have shown impressive capabilities, but still struggle with complex reasoning tasks requiring multiple steps. While prompt-based methods like Chain-of-Thought (CoT) can improve LLM reasoning at inference time,…

Artificial Intelligence · Computer Science 2024-11-25 Haolin Chen , Yihao Feng , Zuxin Liu , Weiran Yao , Akshara Prabhakar , Shelby Heinecke , Ricky Ho , Phil Mui , Silvio Savarese , Caiming Xiong , Huan Wang

This work presents RNAdiffusion, a latent diffusion model for generating and optimizing discrete RNA sequences of variable lengths. RNA is a key intermediary between DNA and protein, exhibiting high sequence diversity and complex…

Machine Learning · Computer Science 2024-10-03 Kaixuan Huang , Yukang Yang , Kaidi Fu , Yanyi Chu , Le Cong , Mengdi Wang

Representation learning is important for solving sequence-to-sequence problems in natural language processing. Representation learning transforms raw data into vector-form representations while preserving their features. However, data with…

Computation and Language · Computer Science 2023-01-12 Yunhao Yang , Zhaokun Xue , Andrew Whinston

The process of learning a manipulation task depends strongly on the action space used for exploration: posed in the incorrect action space, solving a task with reinforcement learning can be drastically inefficient. Additionally, similar…

Amino acid sequence portrays most intrinsic form of a protein and expresses primary structure of protein. The order of amino acids in a sequence enables a protein to acquire a particular stable conformation that is responsible for the…

Machine Learning · Computer Science 2022-08-29 Ashish Ranjan , Md Shah Fahad , David Fernandez-Baca , Akshay Deepak , Sudhakar Tripathi