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Molecular property prediction is crucial for drug discovery and materials science, yet existing approaches suffer from limited interpretability, poor cross-task generalization, and lack of chemical reasoning capabilities. Traditional…

Machine Learning · Computer Science 2025-10-20 Jiaxi Zhuang , Yaorui Shi , Jue Hou , Yunong He , Mingwei Ye , Mingjun Xu , Yuming Su , Linfeng Zhang , Ying Qian , Linfeng Zhang , Guolin Ke , Hengxing Cai

Computational cognitive modeling investigates human cognition by building detailed computational models for cognitive processes. Adaptive Control of Thought - Rational (ACT-R) is a rule-based cognitive architecture that offers a widely…

Logic in Computer Science · Computer Science 2017-05-24 Daniel Gall , Thom Frühwirth

Multimodal information-gathering settings, where users collaborate with AI in dynamic environments, are increasingly common. These involve complex processes with textual and multimodal interactions, often requiring additional structural…

Contemporary machine learning paradigm excels in statistical data analysis, solving problems that classical AI couldn't. However, it faces key limitations, such as a lack of integration with planning, incomprehensible internal structure,…

Artificial Intelligence · Computer Science 2025-01-29 Zeki Doruk Erden , Boi Faltings

The Abstraction and Reasoning Corpus (ARC) provides a compact laboratory for studying abstract reasoning, an ability central to human intelligence. Modern AI systems, including LLMs and ViTs, largely operate as sequence-of-behavior…

Artificial Intelligence · Computer Science 2026-01-21 Zhiguang Liu , Yi Shang

Agentic AI denotes an architectural transition from stateless, prompt-driven generative models toward goal-directed systems capable of autonomous perception, planning, action, and adaptation through iterative control loops. This paper…

Software Engineering · Computer Science 2026-02-12 Mamdouh Alenezi

Existing agent memory systems universally follow what we term a Memory-as-Tool paradigm where a single query triggers one-shot retrieval of flat passage lists, suffering from passive invocation, reasoning-retrieval decoupling, and…

Artificial Intelligence · Computer Science 2026-05-28 Zihan Li , Xingyu Fan , Feifei Li , Wenhui Que

We study structured abstraction-based reasoning for the Abstraction and Reasoning Corpus (ARC) and compare its generalization to test-time approaches. Purely neural architectures lack reliable combinatorial generalization, while strictly…

Artificial Intelligence · Computer Science 2026-04-06 Anugyan Das , Omkar Ghugarkar , Vishvesh Bhat , Asad Aali

Data-enabled predictive control (DeePC) for linear systems utilizes data matrices of recorded trajectories to directly predict new system trajectories, which is very appealing for real-life applications. In this paper we leverage the…

Optimization and Control · Mathematics 2024-12-20 Mircea Lazar

AI agentic programming is an emerging paradigm where large language model (LLM)-based coding agents autonomously plan, execute, and interact with tools such as compilers, debuggers, and version control systems. Unlike conventional code…

Software Engineering · Computer Science 2025-09-16 Huanting Wang , Jingzhi Gong , Huawei Zhang , Jie Xu , Zheng Wang

A neuron transforms its input into output spikes, and this transformation is the basic unit of computation in the nervous system. The spiking response of the neuron to a complex, time-varying input can be predicted from the detailed…

Neurons and Cognition · Quantitative Biology 2011-12-19 Michael Famulare , Adrienne Fairhall

Robotics has long been a field riddled with complex systems architectures whose modules and connections, whether traditional or learning-based, require significant human expertise and prior knowledge. Inspired by large pre-trained language…

Robotics · Computer Science 2022-09-27 Rogerio Bonatti , Sai Vemprala , Shuang Ma , Felipe Frujeri , Shuhang Chen , Ashish Kapoor

The evolution of next-Generation (xG) wireless networks marks a paradigm shift from connectivity-centric architectures to Artificial Intelligence (AI)-native designs that tightly integrate data, computing, and communication. Yet existing AI…

Multiagent Systems · Computer Science 2026-02-03 Xiaoxue Yu , Rongpeng Li , Zhifeng Zhao , Honggang Zhang

Agentic AI prototypes are being deployed across domains with increasing speed, yet no methodology for their structured design, governance, and prospective evaluation has been established. Existing AI documentation practices and guidelines…

Software Engineering · Computer Science 2026-03-02 Sebastian Lobentanzer

Learning under non-smooth objectives remains a fundamental challenge in machine learning, as abrupt changes in conditioning variables can induce highly non-smooth loss landscapes and destabilize optimization. This difficulty is particularly…

Optimization and Control · Mathematics 2026-03-16 Gyeongwan Gu , Jinwoo Hyun , Hyeontae Jo , Jae Kyoung Kim

This paper details two novel frameworks for developing autonomous, agentic AI in scientific workflows. Both systems leverage a hybrid Local Body, Remote Brain architecture via Google Colab, utilizing Python-based local orchestrators to…

Artificial Intelligence · Computer Science 2026-05-27 Judy Fox , Geoffrey Fox

Artificial Intelligence has made remarkable advancements in recent years, primarily driven by increasingly large deep learning models. However, achieving true Artificial General Intelligence (AGI) demands fundamentally new architectures…

Artificial Intelligence · Computer Science 2025-04-30 Rajeev Gupta , Suhani Gupta , Ronak Parikh , Divya Gupta , Amir Javaheri , Jairaj Singh Shaktawat

Based on the predictive coding theory in neuroscience, we designed a bi-directional and recurrent neural net, namely deep predictive coding networks (PCN). It has feedforward, feedback, and recurrent connections. Feedback connections from a…

Computer Vision and Pattern Recognition · Computer Science 2018-07-31 Haiguang Wen , Kuan Han , Junxing Shi , Yizhen Zhang , Eugenio Culurciello , Zhongming Liu

Designing a universal policy architecture that performs well across diverse robots and task configurations remains a key challenge. In this work, we address this by representing robot actions as sequential data and generating actions…

Robotics · Computer Science 2025-03-27 Xinyu Zhang , Yuhan Liu , Haonan Chang , Liam Schramm , Abdeslam Boularias

We present the first language-model-driven agentic artificial intelligence (AI) system to autonomously execute multi-stage physics experiments on a production synchrotron light source. Implemented at the Advanced Light Source particle…

Accelerator Physics · Physics 2026-04-28 Thorsten Hellert , Drew Bertwistle , Simon C. Leemann , Antonin Sulc , Marco Venturini
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