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We have developed a novel differential equation solver software called PND based on the physics-informed neural network for molecular dynamics simulators. Based on automatic differentiation technique provided by Pytorch, our software allows…
We introduce Permutation and Structured Perturbation Inference (PSPI), a new problem formulation that abstracts many graph matching tasks that arise in systems biology. PSPI can be viewed as a robust formulation of the permutation inference…
To execute scientific computing programs such as deep learning at high speed, GPU acceleration is a powerful option. With the recent advancements in web technologies, interfaces like WebGL and WebGPU, which utilize GPUs on the client side…
Named Entity Recognition (NER) is one of the first stages in deep language understanding yet current NER models heavily rely on human-annotated data. In this work, to alleviate the dependence on labeled data, we propose a Local Additivity…
Path signatures provide a rich representation of sequential data, with strong theoretical guarantees and good performance in a variety of machine-learning tasks. While signatures have progressed from fixed feature extractors to trainable…
One of the most interesting, difficult, and potentially useful topics in computational biology is the inference of gene regulatory networks (GRNs) from expression data. Although researchers have been working on this topic for more than a…
Based on recent advances in natural language modeling and those in text generation capabilities, we propose a novel data augmentation method for text classification tasks. We use a powerful pre-trained neural network model to artificially…
Reconstructing transcriptional regulatory networks is an important task in functional genomics. Data obtained from experiments that perturb genes by knockouts or RNA interference contain useful information for addressing this reconstruction…
We introduce FDApy, an open-source Python package for the analysis of functional data. The package provides tools for the representation of (multivariate) functional data defined on different dimensional domains and for functional data that…
This paper presents the philosophy, design and feature-set of Neural Network Distiller, an open-source Python package for DNN compression research. Distiller is a library of DNN compression algorithms implementations, with tools, tutorials…
Integrating deep learning techniques, particularly language models (LMs), with knowledge representation techniques like ontologies has raised widespread attention, urging the need of a platform that supports both paradigms. Although…
Python is a particularly appealing language to carry out data analysis, owing in part to its user-friendly character as well as its access to well maintained and powerful libraries like NumPy and SciPy. Still, for the purpose of analyzing…
This paper presents the design, implementation, and evaluation of the PyTorch distributed data parallel module. PyTorch is a widely-adopted scientific computing package used in deep learning research and applications. Recent advances in…
Prediction of material properties from first principles is often a computationally expensive task. Recently, artificial neural networks and other machine learning approaches have been successfully employed to obtain accurate models at a low…
Automating unit test generation remains a significant challenge, particularly for complex methods in real-world projects. While Large Language Models (LLMs) have made strides in code generation, they struggle to achieve high branch coverage…
Gene regulation is a series of processes that control gene expression and its extent. The connections among genes and their regulatory molecules, usually transcription factors, and a descriptive model of such connections, are known as gene…
Variational inference is an increasingly popular method in statistics and machine learning for approximating probability distributions. We developed LINFA (Library for Inference with Normalizing Flow and Annealing), a Python library for…
We present EvoSort, a general-purpose adaptive parallel parallel sorting framework accessible at the Python level. EvoSort employs a Genetic Algorithm (GA) to automatically discover and refine critical parameters, including insertion sort…
In this paper we present the biologically inspired Ripple Pond Network (RPN), a simply connected spiking neural network that, operating together with recently proposed PolyChronous Networks (PCN), enables rapid, unsupervised, scale and…
Packet classification is a core function in software-defined networks, and learning-based methods have recently shown significant throughput gains on large-scale rulesets. However, existing learning-based approaches struggle with…