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Molecular property prediction is an increasingly critical task within drug discovery and development. Typically, neural networks can learn molecular properties using graph-based, language-based or feature-based methods. Recent advances in…

Machine Learning · Computer Science 2025-07-31 Philip Spence , Brooks Paige , Anne Osbourn

Malignant brain tumors have become an aggressive and dangerous disease that leads to death worldwide.Multi-modal MRI data is crucial for accurate brain tumor segmentation, but missing modalities common in clinical practice can severely…

Methodology · Statistics 2025-07-11 Guoyan Liang , Qin Zhou , Jingyuan Chen , Bingcang Huang , Kai Chen , Lin Gu , Zhe Wang , Sai Wu , Chang Yao

Model merging and task arithmetic have emerged as promising scalable approaches to merge multiple single-task checkpoints to one multi-task model, but their applicability is reduced by significant performance loss. Previous works have…

Machine Learning · Computer Science 2024-05-14 Ke Wang , Nikolaos Dimitriadis , Guillermo Ortiz-Jimenez , François Fleuret , Pascal Frossard

Machine learning (ML) models for predicting gas permeability through polymers have traditionally relied on experimental data. While these models exhibit robustness within familiar chemical domains, reliability wanes when applied to new…

Materials Science · Physics 2024-06-24 Brandon K. Phan , Kuan-Hsuan Shen , Rishi Gurnani , Huan Tran , Ryan Lively , Rampi Ramprasad

Multi-task learning has emerged as a powerful machine learning paradigm for integrating data from multiple sources, leveraging similarities between tasks to improve overall model performance. However, the application of multi-task learning…

Methodology · Statistics 2024-02-09 Parker Knight , Rui Duan

Sparse Autoencoders (SAEs) provide potentials for uncovering structured, human-interpretable representations in Large Language Models (LLMs), making them a crucial tool for transparent and controllable AI systems. We systematically analyze…

Machine Learning · Computer Science 2026-02-03 Jack Gallifant , Shan Chen , Kuleen Sasse , Hugo Aerts , Thomas Hartvigsen , Danielle S. Bitterman

The limited extrapolative power of structure-based machine learning (ML) models is a critical bottleneck in chemical discovery, particularly for industrial R&D, where navigating uncharted chemical space to find next-generation materials or…

Large language models (LLMs) frequently generate toxic content, posing significant risks for safe deployment. Current mitigation strategies often degrade generation quality or require costly human annotation. We propose CAUSALDETOX, a…

Computation and Language · Computer Science 2026-04-17 Yian Wang , Yuen Chen , Agam Goyal , Hari Sundaram

In the current work, we connect token-level uncertainty in causal language modeling to two types of training objectives: 1) masked maximum likelihood (MLE), 2) self-distillation. We show that masked MLE is effective in reducing epistemic…

Computation and Language · Computer Science 2025-03-24 Tingkai Liu , Ari S. Benjamin , Anthony M. Zador

Machine learning (ML) underpins foundation models in finance, healthcare, and critical infrastructure, making them targets for data poisoning, model extraction, prompt injection, automated jailbreaking, and preference-guided black-box…

Cryptography and Security · Computer Science 2025-12-30 Armstrong Foundjem , Lionel Nganyewou Tidjon , Leuson Da Silva , Foutse Khomh

In this paper, we present a simple, flexible and effective vision-language (VL) tracking pipeline, termed \textbf{MMTrack}, which casts VL tracking as a token generation task. Traditional paradigms address VL tracking task indirectly with…

Computer Vision and Pattern Recognition · Computer Science 2023-08-29 Yaozong Zheng , Bineng Zhong , Qihua Liang , Guorong Li , Rongrong Ji , Xianxian Li

The widespread adoption of deep learning models in computer vision has intensified concerns about interpretability. Despite strong performance, these models are often treated as black boxes, with limited systematic investigation of their…

Machine Learning · Computer Science 2026-05-13 Konstantinos P. Panousis , Diego Marcos

Multimodal Large Language Models (MLLMs) have demonstrated outstanding performance across a variety of domains. However, training MLLMs is often inefficient, as much of the computation is redundant due to the long input sequences from…

Machine Learning · Computer Science 2026-05-19 Kean Shi , Liang Chen , Haozhe Zhao , Baobao Chang

Surgical scene understanding and multi-tasking learning are crucial for image-guided robotic surgery. Training a real-time robotic system for the detection and segmentation of high-resolution images provides a challenging problem with the…

Computer Vision and Pattern Recognition · Computer Science 2020-10-19 Mobarakol Islam , Vibashan VS , Hongliang Ren

The continual learning (CL) ability is vital for deploying large language models (LLMs) in the dynamic world. Existing methods devise the learning module to acquire task-specific knowledge with parameter-efficient tuning (PET) block and the…

Computation and Language · Computer Science 2024-06-07 Weixiang Zhao , Shilong Wang , Yulin Hu , Yanyan Zhao , Bing Qin , Xuanyu Zhang , Qing Yang , Dongliang Xu , Wanxiang Che

CTR prediction is essential for modern recommender systems. Ranging from early factorization machines to deep learning based models in recent years, existing CTR methods focus on capturing useful feature interactions or mining important…

Information Retrieval · Computer Science 2022-01-31 Wei Guo , Can Zhang , Zhicheng He , Jiarui Qin , Huifeng Guo , Bo Chen , Ruiming Tang , Xiuqiang He , Rui Zhang

Most existing works on continual learning (CL) focus on overcoming the catastrophic forgetting (CF) problem, with dynamic models and replay methods performing exceptionally well. However, since current works tend to assume exclusivity or…

Computer Vision and Pattern Recognition · Computer Science 2022-10-13 Sijia Wang , Yoojin Choi , Junya Chen , Mostafa El-Khamy , Ricardo Henao

Large language models frequently generate toxic, hateful, or harmful content, yet existing mitigation methods rely on costly retraining or output-level filtering with no mechanistic insight into where toxicity originates internally. We…

Computation and Language · Computer Science 2026-05-28 Himanshu Beniwal , Mayank Singh

Multi-task learning for dense prediction is limited by the need for extensive annotation for every task, though recent works have explored training with partial task labels. Leveraging the generalization power of diffusion models, we extend…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Anh-Quan Cao , Ivan Lopes , Raoul de Charette

Multi-task learning (MTL) is a supervised learning paradigm in which the prediction models for several related tasks are learned jointly to achieve better generalization performance. When there are only a few training examples per task, MTL…

Machine Learning · Computer Science 2017-06-07 Azad Naik , Anveshi Charuvaka , Huzefa Rangwala
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