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Various machine learning models have been used to predict the properties of polycrystalline materials, but none of them directly consider the physical interactions among neighboring grains despite such microscopic interactions critically…

Graph neural networks (GNNs) have become increasingly popular in modeling graph-structured data due to their ability to learn node representations by aggregating local structure information. However, it is widely acknowledged that the test…

Graph neural networks (GNNs) have been shown to be astonishingly capable models for molecular property prediction, particularly as surrogates for expensive density functional theory calculations of relaxed energy for novel material…

As the demand for user privacy grows, controlled data removal (machine unlearning) is becoming an important feature of machine learning models for data-sensitive Web applications such as social networks and recommender systems.…

Recent advancements in graph neural networks (GNNs) have significantly enhanced the prediction of material properties by modeling crystal structures as graphs. However, GNNs often struggle to capture global structural characteristics, such…

Graph neural networks are widely used to learn global representations of graphs, which are then used for regression or classification tasks. Typically, the graphs in such data sets are connected, i.e. each training sample consists of a…

Catastrophic forgetting refers to the tendency that a neural network "forgets" the previous learned knowledge upon learning new tasks. Prior methods have been focused on overcoming this problem on convolutional neural networks (CNNs), where…

Efficient deployment of deep neural networks on resource-constrained devices demands advanced compression techniques that preserve accuracy and interoperability. This paper proposes a machine learning framework that augments Knowledge…

We investigate learned KV cache compression through Speculative Importance Prediction (SIP), a 1.7M parameter non-query-aware scorer that predicts token importance from KV representations alone. Despite architectural sophistication…

Accurately identifying gas mixtures and estimating their concentrations are crucial across various industrial applications using gas sensor arrays. However, existing models face challenges in generalizing across heterogeneous datasets,…

Mass spectra, which are agglomerations of ionized fragments from targeted molecules, play a crucial role across various fields for the identification of molecular structures. A prevalent analysis method involves spectral library…

Battery-free sensor tags are devices that leverage backscatter techniques to communicate with standard IoT devices, thereby augmenting a network's sensing capabilities in a scalable way. For communicating, a sensor tag relies on an…

Graph Neural Networks have shown excellent performance on semi-supervised classification tasks. However, they assume access to a graph that may not be often available in practice. In the absence of any graph, constructing k-Nearest Neighbor…

Molecular representation learning is vital for various downstream applications, including the analysis and prediction of molecular properties and side effects. While Graph Neural Networks (GNNs) have been a popular framework for modeling…

We develop a polycrystal graph neural network (PGNN) model for predicting the effective properties of polycrystalline materials, using the Li7La3Zr2O12 ceramic as an example. A large-scale dataset with >5000 different three-dimensional…

Graph neural networks (GNNs) have been popularly used in analyzing graph-structured data, showing promising results in various applications such as node classification, link prediction and network recommendation. In this paper, we present a…

The emergence of Graph Convolutional Network (GCN) has greatly boosted the progress of graph learning. However, two disturbing factors, noise and redundancy in graph data, and lack of interpretation for prediction results, impede further…

Background and objective Early diagnosis of gastric diseases is crucial to prevent fatal outcomes. Although histopathologic examination remains the diagnostic gold standard, it is performed entirely manually, making evaluations…

Continual learning is a key feature of biological neural systems, but artificial neural networks often suffer from catastrophic forgetting. Instead of backpropagation, biologically plausible learning algorithms may enable stable continual…

Modern machine learning training is increasingly bottlenecked by data I/O rather than compute. GPUs often sit idle at below 50% utilization waiting for data. This paper presents a machine learning approach to predict I/O performance and…