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Machine-Learned Interatomic Potentials (MLIPs) require vast amounts of atomic structure data to learn forces and energies, and their performance continues to improve with training set size. Meanwhile, the even greater quantities of…
This paper investigates the problem of image classification with limited or no annotations, but abundant unlabeled data. The setting exists in many tasks such as semi-supervised image classification, image clustering, and image retrieval.…
Machine learning (ML) is shown to predict new alloys and their performances in a high dimensional, multiple-target-property design space that considers chemistry, multi-step processing routes, and characterization methodology variations. A…
Machine learning models of vastly different modalities and architectures are being trained to predict the behavior of molecules, materials, and proteins. However, it remains unclear whether they learn similar internal representations of…
In view of the fact that semi- and self-supervised learning share a fundamental principle, effectively modeling knowledge from unlabeled data, various semi-supervised semantic segmentation methods have integrated representative…
We introduce Latent Particle World Model (LPWM), a self-supervised object-centric world model scaled to real-world multi-object datasets and applicable in decision-making. LPWM autonomously discovers keypoints, bounding boxes, and object…
The rise of foundation models -- large, pretrained machine learning models that can be finetuned to a variety of tasks -- has revolutionized the fields of natural language processing and computer vision. In high-energy physics, the question…
We propose a masked self-supervised learning framework, called BRepMAE, for automatically extracting a valuable representation of the input computer-aided design (CAD) model to recognize its machining features. Representation learning is…
The high-frequency Helmholtz equation on the entire space is truncated into a bounded domain using the perfectly matched layer (PML) technique and subsequently, discretized by the higher-order finite element method (FEM) and the continuous…
Markov state models (MSMs) have been demonstrated to be a powerful method for computationally studying intramolecular processes such as protein folding and macromolecular conformational changes. In this article, we present a new approach to…
Low level images representation in feature space performs poorly for classification with high accuracy since this level of representation is not able to project images into the discriminative feature space. In this work, we propose an…
Multi-modal magnetic resonance imaging (MRI) provides information of lesions for computer-aided diagnosis from different views. Deep learning algorithms are suitable for identifying specific anatomical structures, segmenting lesions, and…
Embedding techniques have become essential components of large databases in the deep learning era. By encoding discrete entities, such as words, items, or graph nodes, into continuous vector spaces, embeddings facilitate more efficient…
We propose Masked Siamese Networks (MSN), a self-supervised learning framework for learning image representations. Our approach matches the representation of an image view containing randomly masked patches to the representation of the…
Masked autoencoders (MAEs) represent a prominent self-supervised learning paradigm in computer vision. Despite their empirical success, the underlying mechanisms of MAEs remain insufficiently understood. Recent studies have attempted to…
We propose to pre-train a unified language model for both autoencoding and partially autoregressive language modeling tasks using a novel training procedure, referred to as a pseudo-masked language model (PMLM). Given an input text with…
Reconstructing charged particle tracks is a fundamental task in modern collider experiments. The unprecedented particle multiplicities expected at the High-Luminosity Large Hadron Collider (HL-LHC) pose significant challenges for track…
Foundation models have transformed vision and language by learning general-purpose representations from large-scale unlabeled data, yet 3D medical imaging lacks analogous approaches. Existing self-supervised methods rely on low-level…
We propose a method to facilitate exploration and analysis of new large data sets. In particular, we give an unsupervised deep learning approach to learning a latent representation that captures semantic similarity in the data set. The core…
A common challenge with supervised machine learning (ML) in high energy physics (HEP) is the reliance on simulations for labeled data, which can often mismodel the underlying collision or detector response. To help mitigate this problem of…