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Multimodal pretraining is an effective strategy for the trinity of goals of representation learning in autonomous robots: 1) extracting both local and global task progressions; 2) enforcing temporal consistency of visual representation; 3)…

In recent years, artificial intelligence has played an important role on accelerating the whole process of drug discovery. Various of molecular representation schemes of different modals (e.g. textual sequence or graph) are developed. By…

Machine Learning · Computer Science 2022-11-28 Tianyu Wu , Yang Tang , Qiyu Sun , Luolin Xiong

Large language models have demonstrated remarkable reasoning capabilities across diverse natural language tasks. However, comparable breakthroughs in scientific discovery are more limited, because understanding complex physical phenomena…

Machine Learning · Computer Science 2025-10-27 Jiyu Cui , Fang Wu , Haokai Zhao , Minggao Feng , Xenophon Evangelopoulos , Andrew I. Cooper , Yejin Choi

Tool-augmented multimodal reasoning enables visual language models (VLMs) to improve perception by interacting with external tools (e.g., cropping, depth estimation). However, such approaches incur substantial inference overhead, require…

Machine Learning · Computer Science 2026-04-10 Ashutosh Adhikari , Mirella Lapata

Despite Contrastive Language-Image Pretraining (CLIP)'s remarkable capability to retrieve content across modalities, a substantial modality gap persists in its feature space. Intriguingly, we discover that off-the-shelf MLLMs (Multimodal…

Computer Vision and Pattern Recognition · Computer Science 2026-01-01 Pengfei Zhao , Rongbo Luan , Wei Zhang , Peng Wu , Sifeng He

A new method for the unsupervised learning of sparse representations using autoencoders is proposed and implemented by ordering the output of the hidden units by their activation value and progressively reconstructing the input in this…

Machine Learning · Computer Science 2016-05-09 Paul Bertens

Molecular representation learning lays the foundation for drug discovery. However, existing methods suffer from poor out-of-distribution (OOD) generalization, particularly when data for training and testing originate from different…

Machine Learning · Computer Science 2023-10-24 Xiang Zhuang , Qiang Zhang , Keyan Ding , Yatao Bian , Xiao Wang , Jingsong Lv , Hongyang Chen , Huajun Chen

Magnetic order is a fundamental property of materials, governing collective behavior and enabling a broad range of functionalities. Yet magnetic structure remains difficult to determine: experiments are costly and specialized, while…

State-of-the-art fully intrinsic networks for non-rigid shape matching often struggle to disambiguate the symmetries of the shapes leading to unstable correspondence predictions. Meanwhile, recent advances in the functional map framework…

Computer Vision and Pattern Recognition · Computer Science 2022-04-29 Nicolas Donati , Etienne Corman , Maks Ovsjanikov

Self-supervised learning is crucial for clinical imaging applications, given the lack of explicit labels in healthcare. However, conventional approaches that rely on precise vision-language alignment are not always feasible in complex…

Computer Vision and Pattern Recognition · Computer Science 2023-04-18 Jielin Qiu , Peide Huang , Makiya Nakashima , Jaehyun Lee , Jiacheng Zhu , Wilson Tang , Pohao Chen , Christopher Nguyen , Byung-Hak Kim , Debbie Kwon , Douglas Weber , Ding Zhao , David Chen

Symbolic computation, powered by modern computer algebra systems, has important applications in mathematical reasoning through exact deep computations. The efficiency of symbolic computation is largely constrained by such deep computations…

Symbolic Computation · Computer Science 2026-01-21 Rui-Juan Jing , Yuegang Zhao , Changbo Chen

Causal structure learning, also known as causal discovery, aims to estimate causal relationships between variables as a form of a causal directed acyclic graph (DAG) from observational data. One of the major frameworks is the order-based…

Machine Learning · Statistics 2026-02-18 Kentaro Kanamori , Hirofumi Suzuki , Takuya Takagi

Incorporating multi-modal features as side information has recently become a trend in recommender systems. To elucidate user-item preferences, recent studies focus on fusing modalities via concatenation, element-wise sum, or attention…

Information Retrieval · Computer Science 2024-12-20 Rongqing Kenneth Ong , Andy W. H. Khong

The order/dimension of models derived on the basis of data is commonly restricted by the number of observations, or in the context of monitored systems, sensing nodes. This is particularly true for structural systems (e.g., civil or…

Machine Learning · Computer Science 2022-12-01 Zhilu Lai , Wei Liu , Xudong Jian , Kiran Bacsa , Limin Sun , Eleni Chatzi

Statistical shape models enhance machine learning algorithms providing prior information about deformation. A Point Distribution Model (PDM) is a popular landmark-based statistical shape model for segmentation. It requires choosing a model…

Machine Learning · Computer Science 2018-08-02 Alma Eguizabal , Peter J. Schreier , David Ramírez

LiDAR-based place recognition serves as a crucial enabler for long-term autonomy in robotics and autonomous driving systems. Yet, prevailing methodologies relying on handcrafted feature extraction face dual challenges: (1) Inconsistent…

Computer Vision and Pattern Recognition · Computer Science 2025-08-28 Xiaohui Jiang , Haijiang Zhu , Chade Li , Fulin Tang , Ning An

Alignment and uniformity are fundamental principles within the domain of contrastive learning. In recommender systems, prior work has established that optimizing the Bayesian Personalized Ranking (BPR) loss contributes to the objectives of…

Information Retrieval · Computer Science 2025-08-05 Xin Zhou , Yongjie Wang , Zhiqi Shen

Phase transitions mark qualitative reorganizations of collective behavior, yet identifying their boundaries remains challenging whenever analytic solutions are absent and conventional simulations fail. Here we introduce learnability as a…

Materials Science · Physics 2025-10-10 Şener Özönder

Crystal-graph attention networks have emerged recently as remarkable tools for the prediction of thermodynamic stability and materials properties from unrelaxed crystal structures. Previous networks trained on two million materials…

Multimodal representation learning aims to construct a shared embedding space in which heterogeneous modalities are semantically aligned. Despite strong empirical results, InfoNCE-based objectives introduce inherent conflicts that yield…

Machine Learning · Computer Science 2026-02-11 Wenzhe Yin , Pan Zhou , Zehao Xiao , Jie Liu , Shujian Yu , Jan-Jakob Sonke , Efstratios Gavves