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Advancements in artificial intelligence for molecular science are necessitating a paradigm shift from purely data-driven predictions to knowledge-guided computational reasoning. Existing molecular models are predominantly proprietary,…

Machine Learning · Computer Science 2026-03-16 Pengfei Liu , Shuang Ge , Jun Tao , Zhixiang Ren

Artificial intelligence (AI) is currently based largely on black-box machine learning models which lack interpretability. The field of eXplainable AI (XAI) strives to address this major concern, being critical in high-stakes areas such as…

Artificial Intelligence · Computer Science 2024-06-26 Sean Tull , Robin Lorenz , Stephen Clark , Ilyas Khan , Bob Coecke

Traditional models of market efficiency assume that equity prices incorporate information based on content alone, often neglecting the structural influence of reporting timing and cadence. This study introduces the Autonomous Disclosure…

Computational Finance · Quantitative Finance 2026-02-23 Krishna Neupane

Inductive program synthesis, or programming by example, requires synthesizing functions from input-output examples that generalize to unseen inputs. While large language model agents have shown promise in programming tasks guided by natural…

Programming Languages · Computer Science 2025-08-11 Anjiang Wei , Tarun Suresh , Jiannan Cao , Naveen Kannan , Yuheng Wu , Kai Yan , Thiago S. F. X. Teixeira , Ke Wang , Alex Aiken

Skeleton action recognition models have secured more attention than video-based ones in various applications due to privacy preservation and lower storage requirements. Skeleton data are typically transmitted to cloud servers for action…

Cryptography and Security · Computer Science 2025-12-03 Yuxin Cao , Kai Ye , Derui Wang , Minhui Xue , Hao Ge , Chenxiong Qian , Jin Song Dong

Simultaneously optimizing multiple, frequently conflicting, molecular properties is a key bottleneck in the development of novel therapeutics. Although a promising approach, the efficacy of multi-task learning is often compromised by…

Machine Learning · Computer Science 2025-10-01 Mason Minot , Gisbert Schneider

Recent advancements in deep learning models for time series forecasting have been significant. These models often leverage fundamental time series properties such as seasonality and non-stationarity, which may suggest an intrinsic link…

Machine Learning · Computer Science 2025-09-09 Fei Wang , Yujie Li , Zezhi Shao , Chengqing Yu , Yisong Fu , Zhulin An , Yongjun Xu , Xueqi Cheng

We study optimal covariate balance for causal inferences from observational data when rich covariates and complex relationships necessitate flexible modeling with neural networks. Standard approaches such as propensity weighting and…

Machine Learning · Statistics 2018-02-16 Nathan Kallus

Causality has been combined with machine learning to produce robust representations for domain generalization. Most existing methods of this type require massive data from multiple domains to identify causal features by cross-domain…

Machine Learning · Computer Science 2024-03-01 Yang Chen , Yitao Liang , Zhouchen Lin

ASPIC-style structured argumentation frameworks provide a formal basis for reasoning in artificial intelligence by combining internal argument structure with abstract argumentation semantics. A key challenge in these frameworks is ensuring…

Artificial Intelligence · Computer Science 2026-04-24 Marcos Cramer , Tom Friese

Therapeutic decision-making in clinical medicine constitutes a high-stakes domain in which AI guidance interacts with complex interactions among patient characteristics, disease processes, and pharmacological agents. Tasks such as drug…

Artificial Intelligence · Computer Science 2025-12-15 Tim Cofala , Christian Kalfar , Jingge Xiao , Johanna Schrader , Michelle Tang , Wolfgang Nejdl

The ability to learn disentangled representations that split underlying sources of variation in high dimensional, unstructured data is important for data efficient and robust use of neural networks. While various approaches aiming towards…

Machine Learning · Statistics 2019-05-15 Raphael Suter , Đorđe Miladinović , Bernhard Schölkopf , Stefan Bauer

The Distributed Intelligent Sensing and Communication (DISAC) framework redefines Integrated Sensing and Communication (ISAC) for 6G by leveraging distributed architectures to enhance scalability, adaptability, and resource efficiency. This…

Enzymes and proteins are live driven biochemicals, which has a dramatic impact over the environment, in which it is active. So, therefore, it is highly looked-for to build such a robust and highly accurate automatic and computational model…

Biomolecules · Quantitative Biology 2021-01-11 Zaheer Ullah Khan , Dechang Pi , Izhar Ahmed Khan , Asif Nawaz , Jamil Ahmad , Mushtaq Hussain

The information bottleneck (IB) method is a feasible defense solution against adversarial attacks in deep learning. However, this method suffers from the spurious correlation, which leads to the limitation of its further improvement of…

Machine Learning · Computer Science 2022-10-27 Huan Hua , Jun Yan , Xi Fang , Weiquan Huang , Huilin Yin , Wancheng Ge

While attention has been an increasingly popular component in deep neural networks to both interpret and boost performance of models, little work has examined how attention progresses to accomplish a task and whether it is reasonable. In…

Computer Vision and Pattern Recognition · Computer Science 2020-07-30 Shi Chen , Ming Jiang , Jinhui Yang , Qi Zhao

This article comprehensively reviews recent developments and research on deep learning-based (DL-based) techniques for integrated sensing and communication (ISAC) systems. ISAC, which combines sensing and communication functionalities, is…

Signal Processing · Electrical Eng. & Systems 2025-09-10 Murat Temiz , Yongwei Zhang , Yanwei Fu , Chi Zhang , Chenfeng Meng , Orhan Kaplan , Christos Masouros

Explainable AI (XAI) is a rapidly growing domain with a myriad of proposed methods as well as metrics aiming to evaluate their efficacy. However, current studies are often of limited scope, examining only a handful of XAI methods and…

Computer Vision and Pattern Recognition · Computer Science 2025-01-03 Lukas Klein , Carsten T. Lüth , Udo Schlegel , Till J. Bungert , Mennatallah El-Assady , Paul F. Jäger

As agentic AI systems increasingly operate autonomously, establishing trust through verifiable evaluation becomes critical. Yet existing benchmarks lack the transparency and auditability needed to assess whether agents behave reliably. We…

Computation and Language · Computer Science 2025-12-02 Hyunjun Kim , Sooyoung Ryu

We consider the problem of inferring the causal structure from observational data, especially when the structure is sparse. This type of problem is usually formulated as an inference of a directed acyclic graph (DAG) model. The linear…

Machine Learning · Statistics 2025-08-21 Kazuharu Harada , Hironori Fujisawa