相关论文: Atomistic Structure Learning Algorithm with surrog…

Biophysical neural system simulations are among the most computationally demanding scientific applications, and their optimization requires navigating high-dimensional parameter spaces under numerous constraints that impose a binary…

Accurate determination of three-dimensional (3D) atomic structures is crucial for understanding and controlling the properties of nanomaterials. Atomic electron tomography (AET) offers non-destructive atomic imaging with picometer-level…

This paper presents an unsupervised multi-modal learning system that learns associative representation from two input modalities, or channels, such that input on one channel will correctly generate the associated response at the other and…

We propose a novel framework for training neural networks which is capable of learning 3D information of non-rigid objects when only 2D annotations are available as ground truths. Recently, there have been some approaches that incorporate…

Finding the best neural network architecture requires significant time, resources, and human expertise. These challenges are partially addressed by neural architecture search (NAS) which is able to find the best convolutional layer or cell…

Motivated by Supervised Opinion Analysis, we propose a novel framework devoted to Structured Output Learning with Abstention (SOLA). The structure prediction model is able to abstain from predicting some labels in the structured output at a…

In the last few years, energy efficiency has become a challenge. Not only mitigating environmental impact but reducing energy waste can lead to financial advantages. Buildings play an important role in this: they are among the biggest…

Neural Architecture Search (NAS) for automatically finding the optimal network architecture has shown some success with competitive performances in various computer vision tasks. However, NAS in general requires a tremendous amount of…

Improving the predictive capability of molecular properties in ab initio simulations is essential for advanced material discovery. Despite recent progress making use of machine learning, utilizing deep neural networks to improve quantum…

Structured pruning and quantization are fundamental techniques used to reduce the size of deep neural networks (DNNs) and typically are applied independently. Applying these techniques jointly via co-optimization has the potential to…

A well-known drawback of state-of-the-art machine-learning interatomic potentials is their poor ability to extrapolate beyond the training domain. For small-scale problems with tens to hundreds of atoms this can be solved by using active…

Many models have been proposed for vision and language tasks, especially the image-text retrieval task. All state-of-the-art (SOTA) models in this challenge contained hundreds of millions of parameters. They also were pretrained on a large…

The growing interest in both the automation of machine learning and deep learning has inevitably led to the development of a wide variety of automated methods for neural architecture search. The choice of the network architecture has proven…

Finite Element Analysis (FEA) is a powerful but computationally intensive method for simulating physical phenomena. Recent advancements in machine learning have led to surrogate models capable of accelerating FEA. Yet there are still…

With rapid progress in deep learning, neural networks have been widely used in scientific research and engineering applications as surrogate models. Despite the great success of neural networks in fitting complex systems, two major…

As a deep learning model typically contains millions of trainable weights, there has been a growing demand for a more efficient network structure with reduced storage space and improved run-time efficiency. Pruning is one of the most…

Decision support systems often rely on solving complex optimization problems that may require to estimate uncertain parameters beforehand. Recent studies have shown how using traditionally trained estimators for this task can lead to…

In this paper, we propose an analysis mechanism based structured Analysis Discriminative Dictionary Learning (ADDL) framework. ADDL seamlessly integrates the analysis discriminative dictionary learning, analysis representation and analysis…

In recent years, many types of machine learning potentials (MLPs) have been introduced, which are able to represent high-dimensional potential-energy surfaces (PES) with close to first-principles accuracy. Most current MLPs rely on atomic…

The representation of atomic configurations for machine learning models has led to the development of numerous descriptors, often to describe the local environment of atoms. However, many of these representations are incomplete and/or…