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Drug discovery is of great social significance in safeguarding human health, prolonging life, and addressing the challenges of major diseases. In recent years, artificial intelligence has demonstrated remarkable advantages in key tasks…

Machine Learning · Computer Science 2025-08-05 Kun Li , Zhennan Wu , Yida Xiong , Hongzhi Zhang , Longtao Hu , Zhonglie Liu , Junqi Zeng , Wenjie Wu , Mukun Chen , Jiameng Chen , Wenbin Hu

Artificial intelligence (AI) techniques are widely applied in the life sciences. However, applying innovative AI techniques to understand and deconvolute biological complexity is hindered by the learning curve for life science scientists to…

Artificial Intelligence · Computer Science 2024-03-28 Nisha Pillai , Athish Ram Das , Moses Ayoola , Ganga Gireesan , Bindu Nanduri , Mahalingam Ramkumar

Regression models are used for inference and prediction in a wide range of applications providing a powerful scientific tool for researchers and analysts from different fields. In many research fields the amount of available data as well as…

Methodology · Statistics 2018-06-08 Aliaksandr Hubin , Geir Storvik , Florian Frommlet

Backpropagation is the foundational algorithm for training neural networks and a key driver of deep learning's success. However, its biological plausibility has been challenged due to three primary limitations: weight symmetry, reliance on…

Neural and Evolutionary Computing · Computer Science 2025-06-05 Changze Lv , Jingwen Xu , Yiyang Lu , Xiaohua Wang , Zhenghua Wang , Zhibo Xu , Di Yu , Xin Du , Xiaoqing Zheng , Xuanjing Huang

To deploy deep learning algorithms on resource-limited scenarios, an emerging device-resistive random access memory (ReRAM) has been regarded as promising via analog computing. However, the practicability of ReRAM is primarily limited due…

Machine Learning · Computer Science 2022-10-06 Nanyang Ye , Jingbiao Mei , Zhicheng Fang , Yuwen Zhang , Ziqing Zhang , Huaying Wu , Xiaoyao Liang

Automated detection of software vulnerabilities is a fundamental problem in software security. Existing program analysis techniques either suffer from high false positives or false negatives. Recent progress in Deep Learning (DL) has…

Software Engineering · Computer Science 2020-09-16 Saikat Chakraborty , Rahul Krishna , Yangruibo Ding , Baishakhi Ray

In this paper, we introduce ChainerRL, an open-source deep reinforcement learning (DRL) library built using Python and the Chainer deep learning framework. ChainerRL implements a comprehensive set of DRL algorithms and techniques drawn from…

Machine Learning · Computer Science 2021-04-13 Yasuhiro Fujita , Prabhat Nagarajan , Toshiki Kataoka , Takahiro Ishikawa

This paper describes a new library for learning Bayesian networks from data containing discrete and continuous variables (mixed data). In addition to the classical learning methods on discretized data, this library proposes its algorithm…

Machine Learning · Statistics 2021-06-25 Anna V. Bubnova , Irina Deeva , Anna V. Kalyuzhnaya

We present a library of efficient implementations of deep learning primitives. Deep learning workloads are computationally intensive, and optimizing their kernels is difficult and time-consuming. As parallel architectures evolve, kernels…

Neural and Evolutionary Computing · Computer Science 2014-12-19 Sharan Chetlur , Cliff Woolley , Philippe Vandermersch , Jonathan Cohen , John Tran , Bryan Catanzaro , Evan Shelhamer

Quantum machine learning promises great speedups over classical algorithms, but it often requires repeated computations to achieve a desired level of accuracy for its point estimates. Bayesian learning focuses more on sampling from…

Quantum Physics · Physics 2021-07-21 Noah Berner , Vincent Fortuin , Jonas Landman

Complementary-label learning (CLL) is a weakly supervised learning paradigm for multiclass classification, where only complementary labels -- indicating classes an instance does not belong to -- are provided to the learning algorithm.…

Machine Learning · Computer Science 2024-11-20 Nai-Xuan Ye , Tan-Ha Mai , Hsiu-Hsuan Wang , Wei-I Lin , Hsuan-Tien Lin

PyTorch Adapt is a library for domain adaptation, a type of machine learning algorithm that re-purposes existing models to work in new domains. It is a fully-featured toolkit, allowing users to create a complete train/test pipeline in a few…

Machine Learning · Computer Science 2022-11-30 Kevin Musgrave , Serge Belongie , Ser-Nam Lim

The label-embedded dictionary learning (DL) algorithms generate influential dictionaries by introducing discriminative information. However, there exists a limitation: All the label-embedded DL methods rely on the labels due that this way…

Machine Learning · Computer Science 2021-12-06 Shuai Shao , Lei Xing , Wei Yu , Rui Xu , Yanjiang Wang , Baodi Liu

Automatic differentiation frameworks are optimized for exactly one thing: computing the average mini-batch gradient. Yet, other quantities such as the variance of the mini-batch gradients or many approximations to the Hessian can, in…

Machine Learning · Computer Science 2020-02-18 Felix Dangel , Frederik Kunstner , Philipp Hennig

Large language models (LLMs) exhibit remarkable capabilities across diverse tasks, yet aligning them efficiently and effectively with human expectations remains a critical challenge. This thesis advances LLM alignment by introducing novel…

Computation and Language · Computer Science 2025-06-12 Yuxin Jiang

Gradient preconditioning is a key technique to integrate the second-order information into gradients for improving and extending gradient-based learning algorithms. In deep learning, stochasticity, nonconvexity, and high dimensionality lead…

Machine Learning · Computer Science 2023-05-09 Kazuki Osawa , Satoki Ishikawa , Rio Yokota , Shigang Li , Torsten Hoefler

In spite of showing unreasonable effectiveness in modalities like Text and Image, Deep Learning has always lagged Gradient Boosting in tabular data - both in popularity and performance. But recently there have been newer models created…

Machine Learning · Computer Science 2021-04-29 Manu Joseph

With recent advancements in the development of artificial intelligence applications using theories and algorithms in machine learning, many accurate models can be created to train and predict on given datasets. With the realization of the…

Machine Learning · Computer Science 2024-03-29 Pei Xi , Lin

Providing online adaptive lightweight time series anomaly detection without human intervention and domain knowledge is highly valuable. Several such anomaly detection approaches have been introduced in the past years, but all of them were…

Machine Learning · Computer Science 2023-05-11 Ming-Chang Lee , Jia-Chun Lin

McKernel introduces a framework to use kernel approximates in the mini-batch setting with Stochastic Gradient Descent (SGD) as an alternative to Deep Learning. Based on Random Kitchen Sinks [Rahimi and Recht 2007], we provide a C++ library…

Machine Learning · Computer Science 2020-04-20 J. D. Curtó , I. C. Zarza , Feng Yang , Alex Smola , Fernando de la Torre , Chong Wah Ngo , Luc van Gool
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