相关论文: Several Tunable GMM Kernels

Machine learning on trees has been mostly focused on trees as input to algorithms. Much less research has investigated trees as output, which has many applications, such as molecule optimization for drug discovery, or hint generation for…

Gradient boosted trees are competition-winning, general-purpose, non-parametric regressors, which exploit sequential model fitting and gradient descent to minimize a specific loss function. The most popular implementations are tailored to…

Recent years have witnessed significant success in Gradient Boosting Decision Trees (GBDT) for a wide range of machine learning applications. Generally, a consensus about GBDT's training algorithms is gradients and statistics are computed…

Metrics specifying distances between data points can be learned in a discriminative manner or from generative models. In this paper, we show how to unify generative and discriminative learning of metrics via a kernel learning framework.…

Supervised hashing aims to map the original features to compact binary codes that are able to preserve label based similarity in the Hamming space. Non-linear hash functions have demonstrated the advantage over linear ones due to their…

Analysis of large-scale sequential data has been one of the most crucial tasks in areas such as bioinformatics, text, and audio mining. Existing string kernels, however, either (i) rely on local features of short substructures in the…

Molecular conformation generation (MCG) is a fundamental and important problem in drug discovery. Many traditional methods have been developed to solve the MCG problem, such as systematic searching, model-building, random searching,…

Excellent ranking power along with well calibrated probability estimates are needed in many classification tasks. In this paper, we introduce a technique, Calibrated Boosting-Forest that captures both. This novel technique is an ensemble of…

Kernel methods provide an elegant and principled approach to nonparametric learning, but so far could hardly be used in large scale problems, since na\"ive implementations scale poorly with data size. Recent advances have shown the benefits…

Objective To develop soft prompt-based learning algorithms for large language models (LLMs), examine the shape of prompts, prompt-tuning using frozen/unfrozen LLMs, transfer learning, and few-shot learning abilities. Methods We developed a…

Quantum kernel methods are a promising branch of quantum machine learning, yet their effectiveness on diverse, high-dimensional, real-world data remains unverified. Current research has largely been limited to low-dimensional or synthetic…

Kernel pruning methods have been proposed to speed up, simplify, and improve explanation of convolutional neural network (CNN) models. However, the effectiveness of a simplified model is often below the original one. In this letter, we…

Large language models (LLMs) have achieved remarkable success across widespread tasks, yet their application in low-resource domains remains a significant challenge due to data scarcity and the high risk of overfitting. While in-domain data…

Small language models (SLMs) have attracted considerable attention from both academia and industry due to their broad range of applications in edge devices. To obtain SLMs with strong performance, conventional approaches either pre-train…

Pretrained large language models (LLMs) are currently state-of-the-art for solving the vast majority of natural language processing tasks. While many real-world applications still require fine-tuning to reach satisfactory levels of…

In high-performance computing, hotspot GPU kernels are primary bottlenecks, and expert manual tuning is costly and hard to port. Large language model methods often assume kernels can be compiled and executed cheaply, which fails in large…

Recent studies have revealed the intriguing few-shot learning ability of pretrained language models (PLMs): They can quickly adapt to a new task when fine-tuned on a small amount of labeled data formulated as prompts, without requiring…

In this paper, we compare 5 different nonlinear kernels: min-max, RBF, fRBF (folded RBF), acos, and acos-$\chi^2$, on a wide range of publicly available datasets. The proposed fRBF kernel performs very similarly to the RBF kernel. Both RBF…

Modern Gradient Boosted Decision Trees (GBDTs) accelerate split finding with histogram-based binning, which reduces complexity from $O(N\log N)$ to $O(N)$ by aggregating gradients into fixed-size bins. However, the predominant quantile…

We introduce an unsupervised clustering algorithm to improve training efficiency and accuracy in predicting energies using molecular-orbital-based machine learning (MOB-ML). This work determines clusters via the Gaussian mixture model (GMM)…