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Machine learning algorithms for generating molecular structures offer a promising new approach to drug discovery. We cast molecular optimization as a translation problem, where the goal is to map an input compound to a target compound with…

Machine Learning · Computer Science 2019-12-24 Farhan Damani , Vishnu Sresht , Stephen Ra

With advances in scientific computing, computer experiments are increasingly used for optimizing complex systems. However, for modern applications, e.g., the optimization of nuclear physics detectors, each experiment run can require…

Machine Learning · Statistics 2025-08-08 Hwanwoo Kim , Simon Mak , Ann-Kathrin Schuetz , Alan Poon

Restricted Boltzmann Machine (RBM) is an importan- t generative model modeling vectorial data. While applying an RBM in practice to images, the data have to be vec- torized. This results in high-dimensional data and valu- able spatial…

Computer Vision and Pattern Recognition · Computer Science 2016-01-06 Guanglei Qi , Yanfeng Sun , Junbin Gao , Yongli Hu , Jinghua Li

Sending compressed video data in error-prone environments (like the Internet and wireless networks) might cause data degradation. Error concealment techniques try to conceal the received data in the decoder side. In this paper, an adaptive…

Multimedia · Computer Science 2019-11-26 Seyed Mojtaba Marvasti-Zadeh , Hossein Ghanei-Yakhdan , Shohreh Kasaei

Novice programmers frequently adopt a syntax-specific and test-case-driven approach, writing code first and adjusting until programs compile and test cases pass, rather than developing correct solutions through systematic reasoning. AI…

Software Engineering · Computer Science 2025-11-25 Vaani Goenka , Aalok Thakkar

Sample efficiency is a fundamental challenge in de novo molecular design. Ideally, molecular generative models should learn to satisfy a desired objective under minimal oracle evaluations (computational prediction or wet-lab experiment).…

Biomolecules · Quantitative Biology 2023-05-26 Jeff Guo , Philippe Schwaller

A quantum single-error-correcting scheme can be derived from a one-way entanglement purification protocol in purifying one Bell state from a finite block of five Bell states. The main issue to be concerned with in the theory of such an…

Quantum Physics · Physics 2007-05-23 Jin-Yuan Hsieh , Che-Ming Li

We study the calibration of several state of the art neural machine translation(NMT) systems built on attention-based encoder-decoder models. For structured outputs like in NMT, calibration is important not just for reliable confidence with…

Machine Learning · Computer Science 2019-03-06 Aviral Kumar , Sunita Sarawagi

Fine-tuning pretrained large models to downstream tasks is an important problem, which however suffers from huge memory overhead due to large-scale parameters. This work strives to reduce memory overhead in fine-tuning from perspectives of…

Machine Learning · Computer Science 2024-06-25 Yuchen Yang , Yingdong Shi , Cheems Wang , Xiantong Zhen , Yuxuan Shi , Jun Xu

Bayesian optimisation (BO) algorithms have shown remarkable success in applications involving expensive black-box functions. Traditionally BO has been set as a sequential decision-making process which estimates the utility of query points…

Machine Learning · Computer Science 2022-10-25 Rafael Oliveira , Louis Tiao , Fabio Ramos

In existing systems, the off-chip memory interface allows the memory controller to perform only read or write operations. Therefore, to perform any operation, the processor must first read the source data and then write the result back to…

Hardware Architecture · Computer Science 2016-11-01 Vivek Seshadri , Onur Mutlu

We report a spin-orbit torque(SOT) magnetoresistive random-access memory(MRAM)-based probabilistic binary neural network(PBNN) for resource-saving and hardware noise-tolerant computing applications. With the presence of thermal fluctuation,…

Emerging Technologies · Computer Science 2024-03-29 Yu Gu , Puyang Huang , Tianhao Chen , Chenyi Fu , Aitian Chen , Shouzhong Peng , Xixiang Zhang , Xufeng Kou

We present a holistic framework for Continual Model Merging (CMM) that intervenes at three critical stages: pre-merging, during merging, and post-merging-to address two fundamental challenges in continual learning. In particular,…

Machine Learning · Computer Science 2026-02-23 Hoang Phan , Sungmin Cha , Tung Lam Tran , Qi Lei

Model-based deep learning (MoDL) algorithms that rely on unrolling are emerging as powerful tools for image recovery. In this work, we introduce a novel monotone operator learning framework to overcome some of the challenges associated with…

Machine Learning · Computer Science 2021-11-23 Aniket Pramanik , Mathews Jacob

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

Deep learning is computationally intensive, with significant efforts focused on reducing arithmetic complexity, particularly regarding energy consumption dominated by data movement. While existing literature emphasizes inference, training…

Machine Learning · Statistics 2025-06-09 Van Minh Nguyen , Cristian Ocampo , Aymen Askri , Louis Leconte , Ba-Hien Tran

Computational learning theory states that many classes of boolean formulas are learnable in polynomial time. This paper addresses the understudied subject of how, in practice, such formulas can be learned by deep neural networks.…

Machine Learning · Computer Science 2025-09-17 Marcio Nicolau , Anderson R. Tavares , Zhiwei Zhang , Pedro Avelar , João M. Flach , Luis C. Lamb , Moshe Y. Vardi

Block majorization-minimization (BMM) is a simple iterative algorithm for constrained nonconvex optimization that sequentially minimizes majorizing surrogates of the objective function in each block while the others are held fixed. BMM…

Optimization and Control · Mathematics 2025-01-22 Hanbaek Lyu , Yuchen Li

Many practical problems involve the recovery of a binary matrix from partial information, which makes the binary matrix completion (BMC) technique received increasing attention in machine learning. In particular, we consider a special case…

Machine Learning · Computer Science 2019-04-09 Chunsheng Liu

Despite the superior performance of CNN, deploying them on low computational power devices is still limited as they are typically computationally expensive. One key cause of the high complexity is the connection between the convolution…

Computer Vision and Pattern Recognition · Computer Science 2023-06-16 Firas Laakom , Jenni Raitoharju , Alexandros Iosifidis , Moncef Gabbouj