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De novo crystal generation, a central task in materials discovery, aims to generate crystals that are simultaneously valid, stable, unique, and novel. Existing methods mainly rely on black-box stochastic sampling, providing limited control…
Supervised deep learning-based hash and vector quantization are enabling fast and large-scale image retrieval systems. By fully exploiting label annotations, they are achieving outstanding retrieval performances compared to the conventional…
The complex software systems developed nowadays require assessing their quality and proneness to errors. Reducing code complexity is a never-ending problem, especially in today's fast pace of software systems development. Therefore, the…
Agile hardware development requires fast and accurate circuit quality evaluation from early design stages. Existing work of high-level synthesis (HLS) performance prediction usually needs extensive feature engineering after the synthesis…
The emergence of high-repetition-rate x-ray free-electron lasers, such as SLAC's LCLS-II, serve as our canonical example for autonomous controls that necessitate high-throughput diagnostics paired with streaming computational pipelines…
There is a growing body of malware samples that evade automated analysis and detection tools. Malware may measure fingerprints ("artifacts") of the underlying analysis tool or environment and change their behavior when artifacts are…
Network and system security are incredibly critical issues now. Due to the rapid proliferation of malware, traditional analysis methods struggle with enormous samples. In this paper, we propose four easy-to-extract and small-scale features,…
The increased availability of computing time, in recent years, allows for systematic high-throughput studies of material classes with the purpose of both screening for materials with remarkable properties and understanding how structural…
Background: We describe an informatics framework for researchers and clinical investigators to efficiently perform parameter sensitivity analysis and auto-tuning for algorithms that segment and classify image features in a large dataset of…
Autonomous labs enable the integration of automated experiment execution, data analysis and decision making. The main challenge remains the integration of diverse data streams from multiple instruments, where the data is often heterogeneous…
Novel technologies and new materials are in high demand for future energy-efficient electronic devices to overcome the fundamental limitations of miniaturization of current silicon-based devices. Two-dimensional (2D) materials show…
Machine Learning (ML) has offered innovative perspectives for accelerating the discovery of new functional materials, leveraging the increasing availability of material databases. Despite the promising advances, data-driven methods face…
Automatic defect detection for 3D printing processes, which shares many characteristics with change detection problems, is a vital step for quality control of 3D printed products. However, there are some critical challenges in the current…
Determining a process-structure-property relationship is the holy grail of materials science, where both computational prediction in the forward direction and materials design in the inverse direction are essential. Problems in materials…
Additively manufactured metals exhibit heterogeneous microstructure which dictates their material and failure properties. Experimental microstructural characterization techniques generate a large amount of data that requires expensive…
We present Infinity, a Bitwise Visual AutoRegressive Modeling capable of generating high-resolution, photorealistic images following language instruction. Infinity redefines visual autoregressive model under a bitwise token prediction…
Principal component analysis (PCA) is a fundamental dimension reduction tool in statistics and machine learning. For large and high-dimensional data, computing the PCA (i.e., the singular vectors corresponding to a number of dominant…
Quantum computers promise to solve certain problems more efficiently than their digital counterparts. A major challenge towards practically useful quantum computing is characterizing and reducing the various errors that accumulate during an…
Automatic sample identification (ASID), the detection and identification of portions of audio recordings that have been reused in new musical works, is an essential but challenging task in the field of audio query-based retrieval. While a…
High-energy X-ray diffraction methods can non-destructively map the 3D microstructure and associated attributes of metallic polycrystalline engineering materials in their bulk form. These methods are often combined with external stimuli…