相关论文: Information Routing in Atomistic Foundation Models…

Vision-Language Models (VLMs) parse documents end-to-end but frequently break down on layouts unlike those seen in training. We attribute this to a two-hop bottleneck: before the decoder can extract content (Hop 2), it must first classify…

Predicting self-assembly in multi-component amphiphilic systems is challenging due to the complexity of intercomponent interactions and the combinatorial growth of possible formulations. In this study, we develop a unified machine-learning…

Compositional representations are thought to enable humans to generalize across combinatorially vast state spaces. Models with learnable object slots, which encode information about objects in separate latent codes, have shown promise for…

Accurate segmentation of carotid artery structures in histopathological images is vital for cardiovascular disease research. This study systematically evaluates ten deep learning segmentation models including classical architectures, modern…

Predicting interactions between biomolecules, such as protein-protein complexes, remains a challenging problem. Despite the many advancements done so far, the performances of docking protocols are deeply dependent on their capability of…

This work is concerned with a representation of shapes that disentangles fine, local and possibly repeating geometry, from global, coarse structures. Achieving such disentanglement leads to two unrelated advantages: i) a significant…

Mechanistic interpretability of transformers requires identifying not just which components matter but how they compose into the computational route that produced a prediction. Both attention and MLP follow a shared key-value template…

Land use and land cover mapping from Earth Observation (EO) data is a critical tool for sustainable land and resource management. While advanced machine learning and deep learning algorithms excel at analyzing EO imagery data, they often…

The computational prediction of atomistic structure is a long-standing problem in physics, chemistry, materials, and biology. Within conventional force-field or {\em ab initio} calculations, structure is determined through energy…

Latent Diffusion Models (LDMs) achieve high-fidelity synthesis but suffer from latent space brittleness, causing discontinuous semantic jumps during editing. We introduce a Riemannian framework to diagnose this instability by analyzing the…

We investigate the relationship between representation geometry and neural network performance. Analyzing 52 pretrained ImageNet models across 13 architecture families, we show that effective dimension -- an unsupervised geometric metric --…

Entropy governs molecular self-assembly, phase transitions, and material stability, yet remains challenging to quantify and directly control in molecular systems. Here, we demonstrate that the computable information density (CID), a data…

Most machine learning-based image segmentation models produce pixel-wise confidence scores that represent the model's predicted probability for each class label at every pixel. While this information can be particularly valuable in…

This paper focuses on a specific aspect of human visual discrimination from computationally generated solutions for CAAD ends. The bottleneck at work here concern informational ratios of discriminative rates over generative ones. The amount…

We decompose the Kullback--Leibler generalization error (GE) -- the expected KL divergence from the data distribution to the trained model -- of unsupervised learning into three non-negative components: model error, data bias, and variance.…

Urban analytics increasingly relies on AI-driven trajectory analysis, yet current approaches suffer from methodological fragmentation: trajectory learning captures movement patterns but ignores spatial context, while spatial embedding…

We propose a unified information-geometric framework that formalizes understanding in learning as a trade-off between informativeness and geometric simplicity. An encoder phi is evaluated by U(phi) = I(phi(X); Y) - beta * C(phi), where…

In contrast to the somewhat abstract, group theoretical approach adopted by many papers, our work provides a new and more intuitive derivation of steerable convolutional neural networks in $d$ dimensions. This derivation is based on…

Promoting the connectivity of curvilinear structures, such as neuronal processes in biomedical scans and blood vessels in CT images, remains a key challenge in semantic segmentation. Traditional pixel-wise loss functions, including…

This paper proposes a machine learning (ML) method to predict stable molecular geometries from their chemical composition. The method is useful for generating molecular conformations which may serve as initial geometries for saving time…