相关论文: How to Differentiate Collective Variables in Free …

Problems such as predicting a new shading field (Y) for an image (X) are ambiguous: many very distinct solutions are good. Representing this ambiguity requires building a conditional model P(Y|X) of the prediction, conditioned on the image.…

Complex-Valued Neural Networks (CVNNs) have significant advantages in handling tasks that involve complex numbers. However, existing CVNNs are unable to quantify predictive uncertainty. We propose, for the first time, dropout-based Bayesian…

We introduce a code generator that converts unoptimized C++ code operating on sparse data into vectorized and parallel CPU or GPU kernels. Our approach unrolls the computation into a massive expression graph, performs redundant expression…

Automatic Differentiation (AD) is instrumental for science and industry. It is a tool to evaluate the derivative of a function specified through a computer program. The range of AD application domain spans from Machine Learning to Robotics…

Code vulnerability detection (CVD) is essential for addressing and preventing system security issues, playing a crucial role in ensuring software security. Previous learning-based vulnerability detection methods rely on either fine-tuning…

Engineering the free-energy surfaces (FES) of proteins and peptides is central to controlling conformational ensembles and their responses to perturbations. However, predicting how chemical modifications such as point mutations reshape the…

We present a neural model for representing snippets of code as continuous distributed vectors ("code embeddings"). The main idea is to represent a code snippet as a single fixed-length $\textit{code vector}$, which can be used to predict…

The auto differentiable simulation is a type of simulation that outputs of the simulation include not only the simulation result itself, but also their derivatives with respect to various input parameters. It provides an efficient method to…

A central challenge in data visualization is to understand which data samples are required to generate an image of a data set in which the relevant information is encoded. In this work, we make a first step towards answering the question of…

Computational approaches are beginning to be used to design dynamic visual identities fuelled by data and generative processes. In this work, we explore these computational approaches in order to generate a visual identity that creates…

One of the biggest challenges in characterizing 2-D topographies is succinctly communicating the dominant nature of local configurations. In a 2-D grid composed of bistate units, this could be expressed as finding the characteristic…

In this Near Intermediate-Scale Quantum era, there are two types of near-term quantum devices available on cloud: superconducting quantum processing units (QPUs) based on the discrete variable model and linear optics (photonics) QPUs based…

Applied research in graph algorithms and combinatorial structures needs comprehensive and versatile software libraries. However, the design and the implementation of flexible libraries are challenging activities. Among the other problems…

RooFit is a toolkit for statistical modeling and fitting used by most experiments in particle physics. Just as data sets from next-generation experiments grow, processing requirements for physics analysis become more computationally…

The security of code generated by large language models (LLMs) is a significant concern, as studies indicate that such code often contains vulnerabilities and lacks essential defensive programming constructs. This work focuses on examining…

This paper is about how to partition decision variables while decomposing a large-scale optimization problem for the best performance of distributed solution methods. Solving a large-scale optimization problem sequen- tially can be…

K-fold cross validation (CV) is a popular method for estimating the true performance of machine learning models, allowing model selection and parameter tuning. However, the very process of CV requires random partitioning of the data and so…

This paper introduces PolyDiM, an open-source C++ library tailored for the development and implementation of polytopal discretization methods for partial differential equations. The library provides robust and modular tools to support…

Existing work on software patches often use features specific to a single task. These works often rely on manually identified features, and human effort is required to identify these features for each task. In this work, we propose CC2Vec,…

Density estimation, compression and data generation are crucial tasks in artificial intelligence. Variational Auto-Encoders (VAEs) constitute a single framework to achieve these goals. Here, we present a novel class of generative models,…