相关论文: Closed-Form Test Functions for Biophysical Sequenc…

The rapid advancement of Large Language Models (LLMs) has introduced new possibilities and challenges in physics education, necessitating rigorous evaluation of their capabilities as both problem solvers and automated assessors. This paper…

Control Barrier Functions (CBFs) provide an elegant framework for constraining nonlinear control system dynamics to remain within an invariant subset of a designated safe set. However, identifying a CBF that balances performance-by…

This paper introduces a novel approach for multi-task regression that connects Kernel Machines (KMs) and Extreme Learning Machines (ELMs) through the exploitation of the Random Fourier Features (RFFs) approximation of the RBF kernel. In…

In this study, we use Genetic Programming (GP) to compose new optimization benchmark functions. Optimization benchmarks have the important role of showing the differences between evolutionary algorithms, making it possible for further…

Language models (LMs) have demonstrated remarkable capabilities in NLP, yet adapting them efficiently and robustly to specific tasks remains challenging. As their scale and complexity grow, fine-tuning LMs on labelled data often…

In recent years the importance of finding a meaningful pattern from huge datasets has become more challenging. Data miners try to adopt innovative methods to face this problem by applying feature selection methods. In this paper we propose…

Predicting the biological function of molecules, be it proteins or drug-like compounds, from their atomic structure is an important and long-standing problem. Function is dictated by structure, since it is by spatial interactions that…

(Neal and Hinton, 1998) recast maximum likelihood estimation of any given latent variable model as the minimization of a free energy functional $F$, and the EM algorithm as coordinate descent applied to $F$. Here, we explore alternative…

Deep learning based approaches are now widely used across biophysics to help automate a variety of tasks including image segmentation, feature selection, and deconvolution. However, the presence of multiple competing deep learning…

Molecular discovery, when formulated as an optimization problem, presents significant computational challenges because optimization objectives can be non-differentiable. Evolutionary Algorithms (EAs), often used to optimize black-box…

While deep learning techniques have shown promising results in many natural language processing (NLP) tasks, it has not been widely applied to the clinical domain. The lack of large datasets and the pervasive use of domain-specific language…

We study sample-efficient molecular optimization under a limited budget of oracle evaluations. We propose MolLIBRA (MultimOdaLity and Language Integrated Bayesian and evolutionaRy optimizAtion), a genetic algorithm based framework that…

A common problem machine learning developers are faced with is overfitting, that is, fitting a pipeline too closely to the training data that the performance degrades for unseen data. Automated machine learning aims to free (or at least…

Classical deep learning typically operates on individual cases. Despite its success, real-world usage often requires repeated inference to estimate statistical quantities for complex decision-making tasks involving uncertainty or…

Deep neural networks, despite their remarkable success, remain fundamentally limited in their ability to perform Continual Learning (CL). While most current methods aim to enhance the capabilities of a single model, Inspired by the…

Feature representations derived from models pre-trained on large-scale datasets have shown their generalizability on a variety of audio analysis tasks. Despite this generalizability, however, task-specific features can outperform if…

In many learning tasks, the structure of the target space of a function holds rich information about the relationships between evaluations of functions on different data points. Existing approaches attempt to exploit this relationship…

Biomolecular force fields have been traditionally derived based on a mixture of reference quantum chemistry data and experimental information obtained on small fragments. However, the possibility to run extensive molecular dynamics…

The goal of continual learning (CL) is to train a model that can solve multiple tasks presented sequentially. Recent CL approaches have achieved strong performance by leveraging large pre-trained models that generalize well to downstream…

Multiple supervised learning scenarios are composed by a sequence of classification tasks. For instance, multi-task learning and continual learning aim to learn a sequence of tasks that is either fixed or grows over time. Existing…