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Materials discovery, especially for applications that require extreme operating conditions, requires extensive testing that naturally limits the ability to inquire the wealth of possible compositions. Machine Learning (ML) has nowadays a…

Materials Science · Physics 2023-06-21 Dario Massa , Daniel Cieśliński , Amirhossein Naghdi , Stefanos Papanikolaou

Crystal structure prediction (CSP) is a useful tool in pharmaceutical development for identifying and assessing risks associated with polymorphism, yet widespread adoption has been hindered by high computational costs and the need for both…

Chemical Physics · Physics 2025-07-23 Zachary L. Glick , Derek P. Metcalf , Scott F. Swarthout

Phase change materials are exploited in several enabling technologies such as storage class memories, neuromorphic devices and memories embedded in microcontrollers. A key functional property for these applications is the fast crystal…

Materials Science · Physics 2025-01-14 Omar Abou El Kheir , Marco Bernasconi

Fault diagnosis of rotating machinery is an important engineering problem. In recent years, fault diagnosis methods based on the Convolutional Neural Network (CNN) and Recurrent Neural Network (RNN) have been mature, but Transformer has not…

Computational Engineering, Finance, and Science · Computer Science 2021-08-31 Yuhong Jin , Lei Hou , Yushu Chen

Predictive queries over spatiotemporal (ST) stream data pose significant data processing and analysis challenges. ST data streams involve a set of time series whose data distributions may vary in space and time, exhibiting multiple distinct…

Machine Learning · Statistics 2024-10-03 Anderson Chaves , Eduardo Ogasawara , Patrick Valduriez , Fabio Porto

This paper presents a novel dynamic model for slug flow crystallizers that addresses the challenges of spatial distribution without backmixing or diffusion, potentially enabling advanced model-based control. The developed model can…

Systems and Control · Electrical Eng. & Systems 2025-10-21 Collin R. Johnson , Stijn de Vries , Kerstin Wohlgemuth , Sergio Lucia

Time Series foundation models (TSFMs) deliver strong forecasting performance through large-scale pretraining, but their large parameter sizes make deployment costly. While knowledge distillation offers a natural and effective approach for…

Machine Learning · Computer Science 2026-01-21 Yuqi Li , Kuiye Ding , Chuanguang Yang , Szu-Yu Chen , Yingli Tian

Separated flow transition is a very popular phenomenon in gas turbines, especially low-pressure turbines (LPT). Low-fidelity simulations are often used for gas turbine design. However, they are unable to predict separated flow transition…

Fluid Dynamics · Physics 2024-09-13 Harshal D. Akolekar

Thomson scattering (TS) diagnostics provide reliable, minimally perturbative measurements of fundamental plasma parameters, such as electron density ($n_e$) and electron temperature ($T_e$). Deep neural networks can provide accurate…

Phase change materials such as Ge$_{2}$Sb$_{2}$Te$_{5}$ (GST) are ideal candidates for next-generation, non-volatile, solid-state memory due to the ability to retain binary data in the amorphous and crystal phases, and rapidly transition…

Materials Science · Physics 2024-11-14 Owen R. Dunton , Tom Arbaugh , Francis W. Starr

The proliferation of sensors brings an immense volume of spatio-temporal (ST) data in many domains, including monitoring, diagnostics, and prognostics applications. Data curation is a time-consuming process for a large volume of data,…

The attention mechanism has demonstrated remarkable potential in sequence modeling, exemplified by its successful application in natural language processing with models such as Bidirectional Encoder Representations from Transformers (BERT)…

Machine Learning · Computer Science 2025-11-26 Bowen Zhao , Huanlai Xing , Zhiwen Xiao , Jincheng Peng , Li Feng , Xinhan Wang , Rong Qu , Hui Li

Speech-to-Speech Translation (S2ST) models transform speech from one language to another target language with the same linguistic information. S2ST is important for bridging the communication gap among communities and has diverse…

Computation and Language · Computer Science 2024-11-25 Mahendra Gupta , Maitreyee Dutta , Chandresh Kumar Maurya

Crystalline materials can form different structural arrangements (i.e. polymorphs) with the same chemical composition, exhibiting distinct physical properties depending on how they were synthesized or the conditions under which they…

Materials Science · Physics 2025-06-16 Sadman Sadeed Omee , Lai Wei , Sourin Dey , Jianjun Hu

We introduce CrystalFormer, a transformer-based autoregressive model specifically designed for space group-controlled generation of crystalline materials. By explicitly incorporating space group symmetry, CrystalFormer greatly reduces the…

Materials Science · Physics 2025-09-29 Zhendong Cao , Xiaoshan Luo , Jian Lv , Lei Wang

In activity recognition, it is often expensive and time-consuming to acquire sufficient activity labels. To solve this problem, transfer learning leverages the labeled samples from the source domain to annotate the target domain which has…

Computer Vision and Pattern Recognition · Computer Science 2018-01-04 Jindong Wang , Yiqiang Chen , Lisha Hu , Xiaohui Peng , Philip S. Yu

Simulation-to-Real (Sim2Real) transfer learning, the machine learning technique that efficiently solves a real-world task by leveraging knowledge from computational data, has received increasing attention in materials science as a promising…

Chemical Physics · Physics 2025-04-08 Yuta Yahagi , Kiichi Obuchi , Fumihiko Kosaka , Kota Matsui

Precision matrix estimation is essential in various fields; yet it is challenging when samples for the target study are limited. Transfer learning can enhance estimation accuracy by leveraging data from related source studies. We propose…

Machine Learning · Statistics 2026-03-31 Boxin Zhao , Cong Ma , Mladen Kolar

Accurately predicting smartphone app usage is challenging due to the sparsity and irregularity of user behavior, especially under cold-start and low-activity conditions. Existing approaches mostly rely on static or attention-only…

Machine Learning · Computer Science 2025-09-30 Longlong Li , Cunquan Qu , Guanghui Wang

Numerous industrial sectors necessitate models capable of providing robust forecasts across various horizons. Despite the recent strides in crafting specific architectures for time-series forecasting and developing pre-trained universal…

Machine Learning · Computer Science 2024-11-05 Jiawen Zhang , Shun Zheng , Xumeng Wen , Xiaofang Zhou , Jiang Bian , Jia Li
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