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The problem of constructing a dataset for MLIP development which gives the maximum quality in the minimum amount of compute time is complex, and can be approached in a number of ways. We introduce a ``Bayesian selection" approach for…

Materials Science · Physics 2025-06-23 Thomas Rocke , James Kermode

With the advent of standards for deterministic network behavior, synthesizing network designs under delay constraints becomes the natural next task to tackle. Network Calculus (NC) has become a key method for validating industrial networks,…

Networking and Internet Architecture · Computer Science 2023-07-27 Fabien Geyer , Steffen Bondorf

Autonomous robotic systems require advanced control frameworks to achieve complex temporal objectives that extend beyond conventional stability and trajectory tracking. Signal Temporal Logic (STL) provides a formal framework for specifying…

Systems and Control · Electrical Eng. & Systems 2025-04-29 Kazunobu Serizawa , Kazumune Hashimoto , Wataru Hashimoto , Masako Kishida , Shigemasa Takai

Automatic synthesis of hardware components from declarative specifications is an ambitious endeavor in computer aided design. Existing synthesis algorithms are often implemented with Binary Decision Diagrams (BDDs), inheriting their…

Logic in Computer Science · Computer Science 2013-11-15 Roderick Bloem , Robert Koenighofer , Martina Seidl

Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one…

Biomolecules · Quantitative Biology 2016-08-02 Irem Altan , Patrick Charbonneau , Edward H. Snell

Given the wide range of deployment targets, flexible model selection is essential for optimizing performance within a given compute budget. Recent work demonstrates that stitching pretrained models within a model family enables…

Machine Learning · Computer Science 2026-05-29 Debopam Sanyal , Anantharaman Iyer , Alind Khare , Trisha Jain , Akshay Jajoo , Myungjin Lee , Clayton Kerce , Alexey Tumanov

Self-supervised feature reconstruction methods have shown promising advances in industrial image anomaly detection and localization. Despite this progress, these methods still face challenges in synthesizing realistic and diverse anomaly…

Computer Vision and Pattern Recognition · Computer Science 2024-03-12 Ximiao Zhang , Min Xu , Xiuzhuang Zhou

Gene regulatory networks can be successfully modeled as Boolean networks. A much discussed hypothesis says that such model networks reproduce empirical findings the best if they are tuned to operate at criticality, i.e. at the borderline…

Molecular Networks · Quantitative Biology 2016-10-12 Pablo Villegas , José Ruiz-Franco , Jorge Hidalgo , Miguel A. Muñoz

For a very long time, computational approaches to the design of new materials have relied on an iterative process of finding a candidate material and modeling its properties. AI has played a crucial role in this regard, helping to…

Optimising the quality-of-results (QoR) of circuits during logic synthesis is a formidable challenge necessitating the exploration of exponentially sized search spaces. While expert-designed operations aid in uncovering effective sequences,…

Machine Learning · Computer Science 2021-11-12 Antoine Grosnit , Cedric Malherbe , Rasul Tutunov , Xingchen Wan , Jun Wang , Haitham Bou Ammar

We present a high-throughput, end-to-end pipeline for organic crystal structure prediction (CSP) -- the problem of identifying the stable crystal structures that will form from a given molecule based only on its molecular composition. Our…

Materials Science · Physics 2023-12-12 Amit Kadan , Kevin Ryczko , Andrew Wildman , Rodrigo Wang , Adrian Roitberg , Takeshi Yamazaki

In current chip design processes, using multiple tools to obtain a gate-level netlist often results in the loss of source code correlation. SynAlign addresses this challenge by automating the alignment process, simplifying iterative design,…

Hardware Architecture · Computer Science 2025-01-03 Sakshi Garg , Jose Renau

The rapid growth of the size and complexity in deep neural networks has sharply increased computational demands, challenging their efficient deployment in real-world scenarios. Boolean networks, constructed with logic gates, offer a…

Machine Learning · Computer Science 2024-09-12 Youngsung Kim

Structural search and feature extraction are a central subject in modern materials design, the efficiency of which is currently limited, but can be potentially boosted by machine learning (ML). Here, we develop an ML-based…

Materials Science · Physics 2023-02-08 Chuannan Li , Hanpu Liang , Xie Zhang , Zijing Lin , Su-Huai Wei

Network representations can help reveal the behavior of complex systems. Useful information can be derived from the network properties and invariants, such as components, clusters or cliques, as well as from their changes over time. The…

Social and Information Networks · Computer Science 2019-03-18 Luis Ramada Pereira , Rui J. Lopes , Jorge Louçã

MC networks are envisioned to enable synthetic information exchange between nanoscale biological entities. For many algorithm proposals in the MC research field, the question of implementation at nanoscales and in biological environments…

Emerging Technologies · Computer Science 2026-03-13 Alexander Wietfeld , Oguz Turgut , Eneritz Somoza Rodríguez , Wolfgang Kellerer

Computerized Adaptive Testing (CAT) is a widely used technology for evaluating learners' proficiency in online education platforms. By leveraging prior estimates of proficiency to select questions and updating the estimates iteratively…

Information Retrieval · Computer Science 2025-12-24 Mi Tian , Kun Zhang , Fei Liu , Jinglong Li , Yuxin Liao , Chenxi Bai , Zhengtao Tan , Le Wu , Richang Hong

The generation of protein crystals is necessary for the study of protein molecular function and structure. This is done empirically by processing large numbers of crystallization trials and inspecting them regularly in search of those with…

Computer Vision and Pattern Recognition · Computer Science 2018-05-15 Soheil Ghafurian , Peter Orth , Corey Strickland , Hua Su , Sangita Patel , Steven Soisson , Belma Dogdas

Sparse deep neural networks have proven to be efficient for predictive model building in large-scale studies. Although several works have studied theoretical and numerical properties of sparse neural architectures, they have primarily…

Machine Learning · Statistics 2023-09-18 Sanket Jantre , Shrijita Bhattacharya , Tapabrata Maiti

Assessing the synthesizability of inorganic materials is a grand challenge for accelerating their discovery using computations. Synthesis of a material is a complex process that depends not only on its thermodynamic stability with respect…