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The protein-ligand binding affinity (PLA) prediction goal is to predict whether or not the ligand could bind to a protein sequence. Recently, in PLA prediction, deep learning has received much attention. Two steps are involved in deep…

定量方法 · 定量生物学 2024-05-21 Karim Abbasi , Parvin Razzaghi , Amin Ghareyazi , Hamid R. Rabiee

The classical line search for learning rate (LR) tuning in the stochastic gradient descent (SGD) algorithm can tame the convergence slowdown due to data-sampling noise. In a federated setting, wherein the client heterogeneity introduces a…

机器学习 · 计算机科学 2025-10-28 Geetika , Somya Tyagi , Bapi Chatterjee

As modern deep learning architectures grow in complexity, representational ambiguity emerges as a critical barrier to their interpretability and reliable merging. For ReLU networks, identical functional mappings can be achieved through…

机器学习 · 计算机科学 2026-04-21 Kutomanov Hennadii

Despite their impressive performance, Deep Neural Networks (DNNs) typically underperform Gradient Boosting Trees (GBTs) on many tabular-dataset learning tasks. We propose that applying a different regularization coefficient to each weight…

机器学习 · 统计学 2018-10-25 Ira Shavitt , Eran Segal

The Basic Local Alignment Search Tool (BLAST) is currently the most popular method for searching databases of biological sequences. BLAST compares sequences via similarity defined by a weighted edit distance, which results in it being…

生物大分子 · 定量生物学 2020-10-29 Amir Shanehsazzadeh , David Belanger , David Dohan

Electronic health records (EHRs) include simple features like patient age together with more complex data like care history that are informative but not easily represented as individual features. To better harness such data, we developed an…

人工智能 · 计算机科学 2023-02-14 Jacqueline K. Kueper , Jennifer Rayner , Daniel J. Lizotte

Brain-inspired hyperdimensional (HD) computing models neural activity patterns of the very size of the brain's circuits with points of a hyperdimensional space, that is, with hypervectors. Hypervectors are $D$-dimensional (pseudo)random…

新兴技术 · 计算机科学 2019-04-04 Manuel Schmuck , Luca Benini , Abbas Rahimi

Time series forecasting involves collecting and analyzing past observations to develop a model to extrapolate such observations into the future. Forecasting of future events is important in many fields to support decision making as it…

机器学习 · 计算机科学 2020-09-22 Igor Ilic , Berk Gorgulu , Mucahit Cevik , Mustafa Gokce Baydogan

Elastic similarity measures are fundamental to time series similarity search because of their ability to handle temporal misalignments. These measures are inherently computationally expensive, therefore necessitating the use of lower bounds…

数据库 · 计算机科学 2026-03-20 Zemin Chao , Boyu Xiao , Zitong Li , Zhixin Qi , Xianglong Liu , Hongzhi Wang

Many learning algorithms such as kernel machines, nearest neighbors, clustering, or anomaly detection, are based on the concept of 'distance' or 'similarity'. Before similarities are used for training an actual machine learning model, we…

Tensor low-rank representation (TLRR) has demonstrated significant success in image clustering. However, most existing methods rely on fixed transformations and suffer from poor robustness to noise. In this paper, we propose a novel…

计算机视觉与模式识别 · 计算机科学 2025-10-24 Hui Chen , Xinjie Wang , Xianchao Xiu , Wanquan Liu

Uncertainty quantification is an important task in machine learning - a task in which standardneural networks (NNs) have traditionally not excelled. This can be a limitation for safety-critical applications, where uncertainty-aware methods…

机器学习 · 计算机科学 2024-01-05 Felix Fiedler , Sergio Lucia

This paper investigates the stability of deep ReLU neural networks for nonparametric regression under the assumption that the noise has only a finite p-th moment. We unveil how the optimal rate of convergence depends on p, the degree of…

统计理论 · 数学 2023-01-02 Jianqing Fan , Yihong Gu , Wen-Xin Zhou

We consider the problem of estimating the number of distinct elements in a large data set (or, equivalently, the support size of the distribution induced by the data set) from a random sample of its elements. The problem occurs in many…

机器学习 · 计算机科学 2021-06-17 Talya Eden , Piotr Indyk , Shyam Narayanan , Ronitt Rubinfeld , Sandeep Silwal , Tal Wagner

In graph signal processing, learning the weighted connections between nodes from a set of sample signals is a fundamental task when the underlying relationships are not known a priori. This task is typically addressed by finding a graph…

机器学习 · 计算机科学 2025-06-30 Benjamin T. Brown , Haoxiang Zhang , Daniel L. Lau , Gonzalo R. Arce

Network dynamic (e.g., traffic burst in data center networks and channel fading in cellular WiFi networks) has a great impact on the performance of communication networks (e.g., throughput, capacity, delay, and jitter). This article…

网络与互联网体系结构 · 计算机科学 2024-01-09 Meng Qin

Compared to point estimates calculated by standard neural networks, Bayesian neural networks (BNN) provide probability distributions over the output predictions and model parameters, i.e., the weights. Training the weight distribution of a…

机器学习 · 计算机科学 2022-12-01 Philipp Wagner , Xinyang Wu , Marco F. Huber

Hebbian learning limits Hopfield network storage capacity (pattern-to-neuron ratio around 0.14). We propose Kernel Logistic Regression (KLR) learning. Unlike linear methods, KLR uses kernels to implicitly map patterns to high-dimensional…

机器学习 · 计算机科学 2025-06-16 Akira Tamamori

We investigate non-adaptive methods of deep ReLU neural network approximation in Bochner spaces $L_2({\mathbb U}^\infty, X, \mu)$ of functions on ${\mathbb U}^\infty$ taking values in a separable Hilbert space $X$, where ${\mathbb…

数值分析 · 数学 2022-12-15 Dinh Dũng , Van Kien Nguyen , Duong Thanh Pham

Distributional reinforcement learning (RL) has proven useful in multiple benchmarks as it enables approximating the full distribution of returns and extracts rich feedback from environment samples. The commonly used quantile regression…

机器学习 · 计算机科学 2025-05-27 Sami Jullien , Romain Deffayet , Jean-Michel Renders , Paul Groth , Maarten de Rijke