相关论文: Information Routing in Atomistic Foundation Models…

Automated rock classification from mineral composition presents a significant challenge in geological applications, with critical implications for material recycling, resource management, and industrial processing. While existing methods…

Several studies have explored deep learning algorithms to predict large-scale signal fading, or path loss, in urban communication networks. The goal is to replace costly measurement campaigns, inaccurate statistical models, or…

Compositionality is a basic structural feature of both biological and artificial neural networks. Learning compositional functions via gradient descent incurs well known problems like vanishing and exploding gradients, making careful…

Partial information decomposition (PID) seeks to decompose the multivariate mutual information that a set of source variables contains about a target variable into basic pieces, the so called "atoms of information". Each atom describes a…

Interpretable text representations should expose coordinates that are not only predictive, but also meaningful enough for independent auditors to apply. Existing discriminative representations often use anonymous embedding directions, while…

Masked image modeling (MIM) has become a prevalent pre-training setup for vision foundation models and attains promising performance. Despite its success, existing MIM methods discard the decoder network during downstream applications,…

Neural message passing on molecular graphs is one of the most promising methods for predicting formation energy and other properties of molecules and materials. In this work we extend the neural message passing model with an edge update…

A complete representation of 3D objects requires characterizing the space of deformations in an interpretable manner, from articulations of a single instance to changes in shape across categories. In this work, we improve on a prior…

Proteins employ the information stored in the genetic code and translated into their sequences to carry out well-defined functions in the cellular environment. The possibility to encode for such functions is controlled by the balance…

Deep learning models in robotics often output point estimates with poorly calibrated confidences, offering no native mechanism to quantify predictive reliability under novel, noisy, or out-of-distribution inputs. Conformal prediction (CP)…

A key step in reverse engineering neural networks is to decompose them into simpler parts that can be studied in relative isolation. Linear parameter decomposition -- a framework that has been proposed to resolve several issues with current…

Estimating treatment effects from observational data is challenging due to two main reasons: (a) hidden confounding, and (b) covariate mismatch (control and treatment groups not having identical distributions). Long lines of works exist…

We propose a versatile, parameter-less approach for solving the shape matching problem, specifically in the context of atomic structures when atomic assignments are not known a priori. The algorithm Iteratively suggests Rotated…

The optimal design of compounds through manipulating properties at the molecular level is often the key to considerable scientific advances and improved process systems performance. This paper highlights key trends, challenges, and…

Standard object detectors typically treat architectural elements independently, often resulting in facade parsings that lack the structural coherence required for downstream procedural reconstruction. We address this limitation by…

We address the problem of determining correspondences between two images in agreement with a geometric model such as an affine or thin-plate spline transformation, and estimating its parameters. The contributions of this work are…

The one-dimensional configuration coordinate model (1D-CCM) is widely used for the analysis of photoluminescence in molecules and doped solids, and relies on a linear combination of the equilibrium nuclear configurations of ground and…

Graphs play a crucial role in data mining and machine learning, representing real-world objects and interactions. As graph datasets grow, managing large, decentralized subgraphs becomes essential, particularly within federated learning…

Identifying the structural priors that enable Deep Neural Networks (DNNs) to overcome the curse of dimensionality is a fundamental challenge in machine learning theory. Existing literature suggests that effective high-dimensional learning…

It was recently observed that the representations of different models that process identical or semantically related inputs tend to align. We analyze this phenomenon using the Information Imbalance, an asymmetric rank-based measure that…