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In-context learning allows large models to adapt to new tasks from a few demonstrations, but it has shown limited success in molecular design. Existing databases such as ChEMBL contain molecular properties spanning millions of biological…

Machine Learning · Computer Science 2025-10-13 Gang Liu , Jie Chen , Yihan Zhu , Michael Sun , Tengfei Luo , Nitesh V Chawla , Meng Jiang

We present our work on developing and training scalable, trustworthy, and energy-efficient predictive graph foundation models (GFMs) using HydraGNN, a multi-headed graph convolutional neural network architecture. HydraGNN expands the…

State-of-the-art results in large language models (LLMs) often rely on scale, which becomes computationally expensive. This has sparked a research agenda to reduce these models' parameter counts and computational costs without significantly…

Computation and Language · Computer Science 2024-11-07 Xiuying Wei , Skander Moalla , Razvan Pascanu , Caglar Gulcehre

The recent progress of using graph based encoding of crystal structures for high throughput material property prediction has been quite successful. However, using a single modality model prevents us from exploiting the advantages of an…

Machine Learning · Computer Science 2025-05-09 Abhiroop Bhattacharya , Sylvain G. Cloutier

One underlying assumption of recent federated learning (FL) paradigms is that all local models usually share the same network architecture and size, which becomes impractical for devices with different hardware resources. A scalable…

Machine Learning · Computer Science 2022-05-27 Dezhong Yao , Wanning Pan , Michael J O'Neill , Yutong Dai , Yao Wan , Hai Jin , Lichao Sun

Feature-based transfer is one of the most effective methodologies for transfer learning. Existing studies usually assume that the learned new feature representation is \emph{domain-invariant}, and thus train a transfer model $\mathcal{M}$…

Machine Learning · Computer Science 2022-04-22 Pengfei Wei , Xinghua Qu , Yew Soon Ong , Zejun Ma

This work proposes a supervised multi-channel time-series learning framework for financial stock trading. Although many deep learning models have recently been proposed in this domain, most of them treat the stock trading time-series data…

Computational Finance · Quantitative Finance 2020-11-10 Pooja Gupta , Angshul Majumdar , Emilie Chouzenoux , Giovanni Chierchia

We propose a novel conditional diffusion model for contextual portfolio optimization that learns the cross-sectional distribution of next-day stock returns conditioned on high-dimensional asset-specific factors. Our model leverages a…

Portfolio Management · Quantitative Finance 2026-04-17 Xuefeng Gao , Mengying He , Xuedong He

We address prediction problems on tabular categorical data, where each instance is defined by multiple categorical attributes, each taking values from a finite set. These attributes are often referred to as fields, and their categorical…

Species sampling processes have long served as the fundamental framework for modeling random discrete distributions and exchangeable sequences. However, data arising from distinct but related sources require a broader notion of…

Statistics Theory · Mathematics 2026-02-03 Beatrice Franzolini , Antonio Lijoi , Igor Prünster , Giovanni Rebaudo

Standard flow matching scales well but typically relies on an unstructured source distribution, limiting its ability to learn interpretable latent structure. Latent-variable models, by contrast, capture structure but often sacrifice…

Machine Learning · Computer Science 2026-05-11 Xavier Sumba , Carles Balsells-Rodas , Yingzhen Li

Food security remains a global concern as population grows and climate change intensifies, demanding innovative solutions for sustainable agricultural productivity. Recent advances in foundation models have demonstrated remarkable…

Computer Vision and Pattern Recognition · Computer Science 2025-07-29 Vishal Nedungadi , Xingguo Xiong , Aike Potze , Ron Van Bree , Tao Lin , Marc Rußwurm , Ioannis N. Athanasiadis

Hypergraph neural networks (HGNNs) effectively model complex high-order relationships in domains like protein interactions and social networks by connecting multiple vertices through hyperedges, enhancing modeling capabilities, and reducing…

Machine Learning · Computer Science 2025-12-08 Yue Gao , Yifan Feng , Shiquan Liu , Xiangmin Han , Shaoyi Du , Zongze Wu , Han Hu

Deep generative models for engineering design often require substantial computational cost, large training datasets, and extensive retraining when design requirements or datasets change, limiting their applicability in real-world…

Machine Learning · Computer Science 2026-02-04 Ke Wang , Yifan Tang , Nguyen Gia Hien Vu , Faez Ahmed , G. Gary Wang

Generalized Zero-Shot Learning (GZSL) aims to recognize images from both the seen and unseen classes by transferring semantic knowledge from seen to unseen classes. It is a promising solution to take the advantage of generative models to…

Computer Vision and Pattern Recognition · Computer Science 2022-07-11 Zhi Chen , Yadan Luo , Sen Wang , Jingjing Li , Zi Huang

Our understanding of the temporal dynamics of the Earth's surface has been advanced by deep vision models, which often require lots of labeled multi-temporal images for training. However, collecting, preprocessing, and annotating…

Computer Vision and Pattern Recognition · Computer Science 2024-06-27 Zhuo Zheng , Stefano Ermon , Dongjun Kim , Liangpei Zhang , Yanfei Zhong

Transformers are arguably the preferred architecture for language generation. In this paper, inspired by continued fractions, we introduce a new function class for generative modeling. The architecture family implementing this function…

Computation and Language · Computer Science 2026-05-25 Amit Dhurandhar , Vijil Chenthamarakshan , Dennis Wei , Tejaswini Pedapati , Karthikeyan Natesan Ramamurthy , Rahul Nair

Despite recent progress in time-series foundation models, challenges persist in improving representation learning and adapting to diverse downstream tasks. We introduce a General Time-series Model (GTM), which advances representation…

Machine Learning · Computer Science 2026-03-13 Cheng He , Xu Huang , Gangwei Jiang , Zhaoyi Li , Defu Lian , Hong Xie , Enhong Chen , Xijie Liang , Zengrong Zheng , Patrick P. C. Lee

Large language models (LLMs) are primarily designed to understand unstructured text. When directly applied to structured formats such as tabular data, they may struggle to discern inherent relationships and overlook critical patterns. While…

Machine Learning · Computer Science 2024-10-11 Natraj Raman , Sumitra Ganesh , Manuela Veloso

This research presents a comprehensive framework for analyzing liquidity in financial markets, particularly in the context of high-frequency trading. By leveraging advanced machine learning classification techniques, including Logistic…

Trading and Market Microstructure · Quantitative Finance 2024-08-20 Sid Bhatia , Sidharth Peri , Sam Friedman , Michelle Malen