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The development of next-generation molecular simulation models requires moving beyond pre-defined functional forms toward machine learning (ML) techniques that directly capture multiscale physics. Here, we demonstrate such an approach using…

Recent advances in reinforcement learning (RL) have led to substantial improvements in the mathematical reasoning abilities of LLMs, as measured by standard benchmarks. Yet these gains often persist even when models are trained with flawed…

Artificial Intelligence · Computer Science 2026-01-06 Jian Yao , Ran Cheng , Kay Chen Tan

Knowledge tracing (KT) is a crucial technique to predict students' future performance by observing their historical learning processes. Due to the powerful representation ability of deep neural networks, remarkable progress has been made by…

Machine Learning · Computer Science 2023-03-17 Jiahao Chen , Zitao Liu , Shuyan Huang , Qiongqiong Liu , Weiqi Luo

A problem related to the development of an algorithm designed to find an architecture of artificial neural network used for black-box modelling of dynamic systems with time delays has been addressed in this paper. The proposed algorithm is…

Neural and Evolutionary Computing · Computer Science 2023-11-03 Krzysztof Laddach , Rafał Łangowski

Data contamination poses a significant challenge to reliable LLM evaluation, where models may achieve high performance by memorizing training data rather than demonstrating genuine reasoning capabilities. We introduce RADAR (Recall vs.…

Artificial Intelligence · Computer Science 2025-10-13 Ashish Kattamuri , Harshwardhan Fartale , Arpita Vats , Rahul Raja , Ishita Prasad

The data-driven recovery of the unknown governing equations of dynamical systems has recently received an increasing interest. However, the identification of governing equations remains challenging when dealing with noisy and partial…

Machine Learning · Computer Science 2021-02-17 Duong Nguyen , Said Ouala , Lucas Drumetz , Ronan Fablet

Researchers have pursued neurosymbolic artificial intelligence (AI) applications for nearly three decades. A marriage of the neural and symbolic components can lead to rapid advancements in AI. Yet, the field has not realized this promise…

Artificial Intelligence · Computer Science 2026-05-12 Margarita Belova , Jiaxin Xiao , Shikhar Tuli , Niraj K. Jha

The Knowledge Graph Entity Typing (KGET) task aims to predict missing type annotations for entities in knowledge graphs. Recent works only utilize the \textit{\textbf{structural knowledge}} in the local neighborhood of entities,…

Computation and Language · Computer Science 2024-11-18 Muzhi Li , Minda Hu , Irwin King , Ho-fung Leung

LLM-based deep research agents are largely built on the ReAct framework. This linear design makes it difficult to revisit earlier states, branch into alternative search directions, or maintain global awareness under long contexts, often…

Understanding artworks requires multi-step reasoning over visual content and cultural, historical, and stylistic context. While recent multimodal large language models show promise in artwork explanation, they rely on implicit reasoning and…

Artificial Intelligence · Computer Science 2026-04-22 Shuai Wang , Hongyi Zhu , Jia-Hong Huang , Yixian Shen , Chengxi Zeng , Stevan Rudinac , Monika Kackovic , Nachoem Wijnberg , Marcel Worring

Atmospheric turbulence (AT) introduces severe degradations, such as rippling, blur, and intensity fluctuations, that hinder both image quality and downstream vision tasks like target detection. While recent deep learning-based approaches…

Computer Vision and Pattern Recognition · Computer Science 2025-07-29 Zhiming Liu , Paul Hill , Nantheera Anantrasirichai

Knowledge Tracing (KT) models students' knowledge states based on learning interactions to predict performance. While deep learning-based KT models have boosted predictive accuracy, most models rely on deterministic vector embeddings and…

Artificial Intelligence · Computer Science 2026-05-12 Siyu Wu , Cong Xu , Wei Zhang

Masked autoencoder (MAE), a simple and effective self-supervised learning framework based on the reconstruction of masked image regions, has recently achieved prominent success in a variety of vision tasks. Despite the emergence of…

Machine Learning · Computer Science 2023-06-09 Lingjing Kong , Martin Q. Ma , Guangyi Chen , Eric P. Xing , Yuejie Chi , Louis-Philippe Morency , Kun Zhang

Learning meaningful causal representations from observations has emerged as a crucial task for facilitating machine learning applications and driving scientific discoveries in fields such as climate science, biology, and physics. This…

Machine Learning · Computer Science 2026-02-06 Jiaxu Ren , Yixin Wang , Biwei Huang

The primary focus of recent work with largescale transformers has been on optimizing the amount of information packed into the model's parameters. In this work, we ask a different question: Can multimodal transformers leverage explicit…

Computation and Language · Computer Science 2022-05-06 Liangke Gui , Borui Wang , Qiuyuan Huang , Alex Hauptmann , Yonatan Bisk , Jianfeng Gao

Across the natural and life sciences, images have become a primary measurement modality, yet the dominant analytic paradigm remains semantics-first. Structure is recovered by predicting or enforcing domain-specific labels. This paradigm…

Computer Vision and Pattern Recognition · Computer Science 2026-02-18 Jan Bumberger

Retrieval and ranking models are the backbone of many applications such as web search, open domain QA, or text-based recommender systems. The latency of neural ranking models at query time is largely dependent on the architecture and…

Information Retrieval · Computer Science 2021-01-25 Sebastian Hofstätter , Sophia Althammer , Michael Schröder , Mete Sertkan , Allan Hanbury

In social science, formal and quantitative models, such as ones describing economic growth and collective action, are used to formulate mechanistic explanations, provide predictions, and uncover questions about observed phenomena. Here, we…

Symbolic Computation · Computer Science 2023-08-17 Julia Balla , Sihao Huang , Owen Dugan , Rumen Dangovski , Marin Soljacic

Discovering governing equations of complex network dynamics is a fundamental challenge in contemporary science with rich data, which can uncover the mysterious patterns and mechanisms of the formation and evolution of complex phenomena in…

Artificial Intelligence · Computer Science 2024-11-12 Jiao Hu , Jiaxu Cui , Bo Yang

With rapid progress across platforms for quantum systems, the problem of many-body quantum state reconstruction for noisy quantum states becomes an important challenge. Recent works found promise in recasting the problem of quantum state…

Quantum Physics · Physics 2022-03-08 Peter Cha , Paul Ginsparg , Felix Wu , Juan Carrasquilla , Peter L. McMahon , Eun-Ah Kim
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