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Signed Distance Functions (SDFs) are vital implicit representations to represent high fidelity 3D surfaces. Current methods mainly leverage a neural network to learn an SDF from various supervisions including signed distances, 3D point…
Graph neural networks (GNNs) for link prediction can loosely be divided into two broad categories. First, \emph{node-wise} architectures pre-compute individual embeddings for each node that are later combined by a simple decoder to make…
A feed-forward neural network is demonstrated to efficiently unfold the energy distribution of protons and alpha particles passing through passive material. This model-independent approach works with unbinned data and does not require…
Deep neural networks have been demonstrated to be vulnerable to adversarial attacks, where small perturbations intentionally added to the original inputs can fool the classifier. In this paper, we propose a defense method, Featurized…
Transformer-based language models (LMs) are at the core of modern NLP, but their internal prediction construction process is opaque and largely not understood. In this work, we make a substantial step towards unveiling this underlying…
In recent years, neural networks (NNs) have become increasingly popular for surrogate modeling tasks in mechanics and materials modeling applications. While traditional NNs are deterministic functions that rely solely on data to learn the…
Data-driven neural networks are increasingly used as surrogate forward models in geophysics, but it remains unclear whether they recover only the data mapping or also the underlying physical sensitivity structure. Here we test this question…
Tabular foundation models such as TabPFN have revolutionized predictive machine learning for tabular data. At the same time, the driving factors of this revolution are hard to understand. Existing open-source tabular foundation models are…
Feedforward neural networks (FNNs) can be viewed as non-linear regression models, where covariates enter the model through a combination of weighted summations and non-linear functions. Although these models have some similarities to the…
Foundation models for tabular data, like TabPFN, achieve strong performance on small datasets when pre-trained solely on synthetic data. We show that this performance can be significantly boosted by a targeted continued pre-training phase.…
Implicit solvent models are widely used to decrease the number of solvent degrees of freedom and enable the calculation of solvation energetics without water molecules. However, its accuracy often falls short compared to explicit models.…
Classical artificial neural networks have witnessed widespread successes in machine-learning applications. Here, we propose fermion neural networks (FNNs) whose physical properties, such as local density of states or conditional…
Recurrent neural networks (RNNs) have been extraordinarily successful for prediction with sequential data. To tackle highly variable and noisy real-world data, we introduce Particle Filter Recurrent Neural Networks (PF-RNNs), a new RNN…
Probabilistic neural networks are typically modeled with independent weight priors, which do not capture weight correlations in the prior and do not provide a parsimonious interface to express properties in function space. A desirable class…
Conventional computer vision models rely on very deep, feedforward networks processing whole images and trained offline with extensive labeled data. In contrast, biological vision relies on comparatively shallow, recurrent networks that…
Kernels are efficient in representing nonlocal dependence and they are widely used to design operators between function spaces. Thus, learning kernels in operators from data is an inverse problem of general interest. Due to the nonlocal…
Two of the most popular modelling paradigms in computer vision are feed-forward neural networks (FFNs) and probabilistic graphical models (GMs). Various connections between the two have been studied in recent works, such as e.g. expressing…
Foundational models (FMs), pretrained on extensive datasets using self-supervised techniques, are capable of learning generalized patterns from large amounts of data. This reduces the need for extensive labeled datasets for each new task,…
In modern applications such as ECG monitoring, neuroimaging, wearable sensing, and industrial equipment diagnostics, complex and continuously structured data are ubiquitous, presenting both challenges and opportunities for functional data…
This paper investigates the key role of Feed-Forward Networks (FFNs) in transformer models by utilizing the Parallel Attention and Feed-Forward Net Design (PAF) architecture, and comparing it to their Series Attention and Feed-Forward Net…