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This work proposes a hierarchical clustering algorithm for high-dimensional datasets using the cyclic space of reversible finite cellular automata. In cellular automaton (CA) based clustering, if two objects belong to the same cycle, they…

Formal Languages and Automata Theory · Computer Science 2024-08-06 Baby C. J. , Kamalika Bhattacharjee

Drug discovery is fundamentally a process of inferring the effects of treatments on patients, and would therefore benefit immensely from computational models that can reliably simulate patient responses, enabling researchers to generate and…

Modern scientific research relies on large-scale data, complex workflows, and specialized tools, which existing LLMs and tool-based agents struggle to handle due to limitations in long-horizon planning, robust goal maintenance, and…

Artificial Intelligence · Computer Science 2026-02-11 NexusAgent Team

Large language models (LLMs) have recently shown strong progress on scientific reasoning, yet two major bottlenecks remain. First, explicit retrieval fragments reasoning, imposing a hidden "tool tax" of extra tokens and steps. Second,…

Robust Model Predictive Control (MPC) for nonlinear systems is a problem that poses significant challenges as highlighted by the diversity of approaches proposed in the last decades. Often compromises with respect to computational load,…

Systems and Control · Electrical Eng. & Systems 2024-02-21 Daniel D. Leister , Justin P. Koeln

We present a hierarchical model predictive control approach for large-scale systems based on dual decomposition. The proposed scheme allows coupling in both dynamics and constraints between the subsystems and generates a primal feasible…

Optimization and Control · Mathematics 2011-11-10 Minh Dang Doan , Tamás Keviczky , Bart De Schutter

While Diffusion Language Models (DLMs) are theoretically well-suited for iterative refinement due to their non-causal structure, they often fail to reliably revise incorrect tokens in practice. The key challenge lies in the model's…

Machine Learning · Computer Science 2026-01-30 Shuibai Zhang , Fred Zhangzhi Peng , Yiheng Zhang , Jin Pan , Grigorios G. Chrysos

While Vision-Language Models (VLMs) excel at visual understanding, they often fail to grasp hierarchical knowledge. This leads to common errors where VLMs misclassify coarser taxonomic levels even when correctly identifying the most…

Computer Vision and Pattern Recognition · Computer Science 2026-01-22 Zhenghong Li , Kecheng Zheng , Haibin Ling

With the recent progress of Large Language Models (LLMs), there is a growing interest in applying these models to solve complex and challenging problems. Modern LLMs, capable of processing long contexts and generating verbalized…

Computation and Language · Computer Science 2026-04-14 WonJin Yoon , Kangyu Zhu , Ian Bulovic , Autumn Sehy , Yanjun Gao , Dmitriy Dligach , Majid Afshar , Timothy A. Miller

Single-cell RNA sequencing (scRNA-seq) data analysis is crucial for biological research, as it enables the precise characterization of cellular heterogeneity. However, manual manipulation of various tools to achieve desired outcomes can be…

Artificial Intelligence · Computer Science 2024-07-16 Yihang Xiao , Jinyi Liu , Yan Zheng , Xiaohan Xie , Jianye Hao , Mingzhi Li , Ruitao Wang , Fei Ni , Yuxiao Li , Jintian Luo , Shaoqing Jiao , Jiajie Peng

This research addresses the challenge of conducting interpretable causal inference between a binary treatment and its resulting outcome when not all confounders are known. Confounders are factors that have an influence on both the treatment…

Machine Learning · Computer Science 2023-10-24 Sohaib Kiani , Jared Barton , Jon Sushinsky , Lynda Heimbach , Bo Luo

Model-based design offers a promising approach for assisting developers to build reliable and secure cyber-physical systems (CPSs) in a systematic manner. In this methodology, a designer first constructs a model, with mathematically precise…

Systems and Control · Computer Science 2019-02-13 Luan Viet Nguyen , Gautam Mohan , James Weimer , Oleg Sokolsky , Insup Lee , Rajeev Alur

Large pretrained foundation models demonstrate exceptional performance and, in some high-stakes applications, even surpass human experts. However, most of these models are currently evaluated primarily on prediction accuracy, overlooking…

Machine Learning · Computer Science 2024-11-08 Tang Li , Mengmeng Ma , Xi Peng

The constitutional framework of alignment aims to align large language models (LLMs) with value-laden principles written in natural language (such as to avoid using biased language). Prior work has focused on parameter fine-tuning…

Computation and Language · Computer Science 2026-01-27 Henry Bell , Caroline Zhang , Mohammed Mobasserul Haque , Dhaval Potdar , Samia Zaman , Brandon Fain

Recent vision-language-action (VLA) systems have demonstrated strong capabilities in embodied manipulation. However, most existing VLA policies rely on limited observation windows and end-to-end action prediction, which makes them brittle…

Robotics · Computer Science 2026-04-16 Zhen Liu , Xinyu Ning , Zhe Hu , Xinxin Xie , Weize Li , Zhipeng Tang , Chongyu Wang , Zejun Yang , Hanlin Wang , Yitong Liu , Zhongzhu Pu

Scientific writing is an expert-domain task that demands deep domain knowledge, task-specific requirements and reasoning capabilities that leverage the domain knowledge to satisfy the task specifications. While scientific text generation…

Computation and Language · Computer Science 2026-04-20 Furkan Şahinuç , Subhabrata Dutta , Iryna Gurevych

This paper presents a mathematical framework for causal nonlinear prediction in settings where observations are generated from an underlying hidden Markov model (HMM). Both the problem formulation and the proposed solution are motivated by…

Machine Learning · Computer Science 2026-03-16 Heng-Sheng Chang , Prashant G. Mehta

Brain digital twins aim to provide faithful, individualized computational representations of brains as dynamical systems, enabling mechanistic understanding and supporting prediction of clinical interventions. Yet current approaches remain…

Computational Engineering, Finance, and Science · Computer Science 2026-04-16 Alexandre Muzy

Accurate clinical diagnosis requires extensive domain knowledge and complex clinical reasoning capabilities. Although large language models (LLMs) hold great potential for clinical reasoning, their high computational and memory requirements…

Computers and Society · Computer Science 2026-05-12 Xinchun Su , Chunxu Luo , Lipeng Ma , Yixuan Li , Weidong Yang

Multivariate Time Series Forecasting plays a key role in many applications. Recent works have explored using Large Language Models for MTSF to take advantage of their reasoning abilities. However, many methods treat LLMs as end-to-end…

Artificial Intelligence · Computer Science 2025-09-19 Kuiye Ding , Fanda Fan , Yao Wang , Ruijie jian , Xiaorui Wang , Luqi Gong , Yishan Jiang , Chunjie Luo , Jianfeng Zhan
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