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Geometry and topology are the main factors that determine the functional properties of proteins. In this work, we show how to use the Gauss linking integral (GLN) in the form of a matrix diagram - for a pair of a loop and a tail - to study…

生物大分子 · 定量生物学 2020-05-12 Wanda Niemyska , Kenneth C. Millett , Joanna I. Sulkowska

Using evolutionary computation algorithms to solve multiple tasks with knowledge sharing is a promising approach. Image feature learning can be considered as a multitask problem because different tasks may have a similar feature space.…

计算机视觉与模式识别 · 计算机科学 2021-07-16 Ying Bi , Bing Xue , Mengjie Zhang

We present a new strategy for learning the functional relation between a pair of variables, while addressing inhomogeneities in the correlation structure of the available data, by modelling the sought function as a sample function of a…

机器学习 · 统计学 2024-04-22 Gargi Roy , Dalia Chakrabarty

For a learning task, Gaussian process (GP) is interested in learning the statistical relationship between inputs and outputs, since it offers not only the prediction mean but also the associated variability. The vanilla GP however struggles…

机器学习 · 统计学 2020-09-01 Haitao Liu , Yew-Soon Ong , Xiaomo Jiang , Xiaofang Wang

Large language models (LLMs) can be adapted either through numerical updates that alter model parameters or symbolic manipulations that work on discrete prompts or logical constraints. While numerical fine-tuning excels at injecting new…

The fine-tuning of large vision-language foundation models remains an underexplored area, particularly regarding its impact on learning gains and catastrophic forgetting. Inspired by the significance of modality gaps in contrastive…

计算机视觉与模式识别 · 计算机科学 2025-08-05 Laura Niss , Kevin Vogt-Lowell , Theodoros Tsiligkaridis

We propose a method (TT-GP) for approximate inference in Gaussian Process (GP) models. We build on previous scalable GP research including stochastic variational inference based on inducing inputs, kernel interpolation, and structure…

机器学习 · 计算机科学 2018-01-18 Pavel Izmailov , Alexander Novikov , Dmitry Kropotov

The search for symbolic regression models with genetic programming (GP) has a tendency of revisiting expressions in their original or equivalent forms. Repeatedly evaluating equivalent expressions is inefficient, as it does not immediately…

机器学习 · 计算机科学 2025-04-09 Fabricio Olivetti de Franca , Gabriel Kronberger

Use of large language models such as ChatGPT (GPT-4/GPT-5) for mental health support has grown rapidly, emerging as a promising route to assess and help people with mood disorders like depression. However, we have a limited understanding of…

Inference-time computation is a powerful paradigm to enhance the performance of large language models (LLMs), with Best-of-N sampling being a widely used technique. However, this method is computationally expensive, requiring both (1) an…

计算与语言 · 计算机科学 2024-10-04 Rohin Manvi , Anikait Singh , Stefano Ermon

Probing Pre-trained Language Models (PLMs) using prompts has indirectly implied that language models (LMs) can be treated as knowledge bases. To this end, this phenomena has been effective especially when these LMs are fine-tuned towards…

计算与语言 · 计算机科学 2022-04-08 M. Abaho , D. Bollegala , P. Williamson , S. Dodd

Gradient boosting of regression trees is a competitive procedure for learning predictive models of continuous data that fits the data with an additive non-parametric model. The classic version of gradient boosting assumes that the data is…

机器学习 · 计算机科学 2016-07-04 Iman Alodah , Jennifer Neville

Structured pruning is widely used to compress large language models (LLMs), yet its effectiveness depends heavily on neuron importance estimation. Most existing methods estimate neuron importance from activation statistics on a single…

机器学习 · 计算机科学 2026-03-17 Xiaoyun Liu , Divya Saxena , Jiannong Cao , Yuqing Zhao , Yiying Dong , Penghui Ruan

Graph Neural Networks (GNNs) have excelled in learning from graph-structured data, especially in understanding the relationships within a single graph, i.e., intra-graph relationships. Despite their successes, GNNs are limited by neglecting…

机器学习 · 计算机科学 2024-05-08 Qi Zou , Na Yu , Daoliang Zhang , Wei Zhang , Rui Gao

Off-the-shelf Gaussian Process (GP) covariance functions encode smoothness assumptions on the structure of the function to be modeled. To model complex and non-differentiable functions, these smoothness assumptions are often too…

机器学习 · 统计学 2016-04-12 Roberto Calandra , Jan Peters , Carl Edward Rasmussen , Marc Peter Deisenroth

Large language model (LLM) tokenizers act as structured compressors: by mapping text to discrete token sequences, they determine token count (and thus compute and context usage) and the statistical structure seen by downstream models.…

信息论 · 计算机科学 2026-01-15 Mete Erdogan , Abhiram Gorle , Shubham Chandak , Mert Pilanci , Tsachy Weissman

Instruction-tuned large language models (LLMs) employ structured templates, such as role markers and special tokens, to enforce format consistency during inference. However, we identify a critical limitation of such formatting: it induces a…

计算与语言 · 计算机科学 2025-05-27 Longfei Yun , Chenyang An , Zilong Wang , Letian Peng , Jingbo Shang

Large reasoning models (LRMs) exhibit diverse high-level reasoning patterns (e.g., direct solution, reflection-and-verification, and exploring multiple solutions), yet prevailing training recipes implicitly bias models toward a limited set…

人工智能 · 计算机科学 2026-01-13 Hanbin Wang , Jingwei Song , Jinpeng Li , Fei Mi , Lifeng Shang

Regression models are popular tools in empirical sciences to infer the influence of a set of variables onto a dependent variable given an experimental dataset. In neuroscience and cognitive psychology, Generalized Linear Models (GLMs)…

应用统计 · 统计学 2020-02-04 Vincent Adam , Alexandre Hyafil

Motivation: Predicting gene-disease associations (GDAs) is the problem to determine which gene is associated with a disease. GDA prediction can be framed as a ranking problem where genes are ranked for a query disease, based on features…

定量方法 · 定量生物学 2026-02-03 Fernando Zhapa-Camacho , Robert Hoehndorf