Road network representation learning aims to learn compressed and effective vectorized representations for road segments that are applicable to numerous tasks. In this paper, we identify the limitations of existing methods, particularly their overemphasis on the distance effect as outlined in the First Law of Geography. In response, we propose to endow road network representation with the principles of the recent Third Law of Geography. To this end, we propose a novel graph contrastive learning framework that employs geographic configuration-aware graph augmentation and spectral negative sampling, ensuring that road segments with similar geographic configurations yield similar representations, and vice versa, aligning with the principles stated in the Third Law. The framework further fuses the Third Law with the First Law through a dual contrastive learning objective to effectively balance the implications of both laws. We evaluate our framework on two real-world datasets across three downstream tasks. The results show that the integration of the Third Law significantly improves the performance of road segment representations in downstream tasks.

Weusebrainimagingrecordings ofsubjectsreading complex natural text to interpret word and sequence embeddings from4 recent NLP models - ELMo, USE, BERT and Transformer-XL. We study how their representations differ across layer depth, contextlength, and attention type.

Road network representation learning (RNRL) has attracted increasing attention from both researchers and practitioners as various spatiotemporal tasks are emerging. Recent advanced methods leverage Graph Neural Networks (GNNs) and contrastive learning to characterize the spatial structure of road segments in a self-supervised paradigm. However, spatial heterogeneity and temporal dynamics of road networks raise severe challenges to the neighborhood smoothing mechanism of self-supervised GNNs. To address these issues, we propose a $\textbf{D}$ual-branch $\textbf{S}$patial-$\textbf{T}$emporal self-supervised representation framework for enhanced road representations, termed as DST. On one hand, DST designs a mix-hop transition matrix for graph convolution to incorporate dynamic relations of roads from trajectories. Besides, DST contrasts road representations of the vanilla road network against that of the hypergraph in a spatial self-supervised way. The hypergraph is newly built based on three types of hyperedges to capture long-range relations. On the other hand, DST performs next token prediction as the temporal self-supervised task on the sequences of traffic dynamics based on a causal Transformer, which is further regularized by differentiating traffic modes of weekdays from those of weekends. Extensive experiments against state-of-the-art methods verify the superiority of our proposed framework. Moreover, the comprehensive spatiotemporal modeling facilitates DST to excel in zero-shot learning scenarios.

Designing high-performance amorphous alloys is demanding for various applications. But this process intensively relies on empirical laws and unlimited attempts. The high-cost and low-efficiency nature of the traditional strategies prevents effective sampling in the enormous material space. Here, we propose material networks to accelerate the discovery of binary and ternary amorphous alloys. The network topologies reveal hidden material candidates that were obscured by traditional tabular data representations. By scrutinizing the amorphous alloys synthesized in different years, we construct dynamical material networks to track the history of the alloy discovery. We find that some innovative materials designed in the past were encoded in the networks, demonstrating their predictive power in guiding new alloy design. These material networks show physical similarities with several real-world networks in our daily lives. Our findings pave a new way for intelligent materials design, especially for complex alloys.

We study how their representations differ across layer depth, context length, and attention type.

In this work, we study the problem pertaining to personalized classification of subclinical atherosclerosis by developing a hierarchical graph neural network framework to leverage two characteristic modalities of a patient: clinical features within the context of the cohort, and molecular data unique to individual patients. Current graph-based methods for disease classification detect patient-specific molecular fingerprints, but lack consistency and comprehension regarding cohort-wide features, which are an essential requirement for understanding pathogenic phenotypes across diverse atherosclerotic trajectories. Furthermore, understanding patient subtypes often considers clinical feature similarity in isolation, without integration of shared pathogenic interdependencies among patients. To address these challenges, we introduce ATHENA: Atherosclerosis Through Hierarchical Explainable Neural Network Analysis, which constructs a novel hierarchical network representation through integrated modality learning; subsequently, it optimizes learned patient-specific molecular fingerprints that reflect individual omics data, enforcing consistency with cohort-wide patterns. With a primary clinical dataset of 391 patients, we demonstrate that this heterogeneous alignment of clinical features with molecular interaction patterns has significantly boosted subclinical atherosclerosis classification performance across various baselines by up to 13% in area under the receiver operating curve (AUC) and 20% in F1 score. Taken together, ATHENA enables mechanistically-informed patient subtype discovery through explainable AI (XAI)-driven subnetwork clustering; this novel integration framework strengthens personalized intervention strategies, thereby improving the prediction of atherosclerotic disease progression and management of their clinical actionable outcomes.

Inferring temporal interaction graphs and higher-order structure from neural signals is a key problem in building generative models for systems neuroscience. Foundation models for large-scale neural data represent shared latent structures of neural signals. However, extracting interpretable latent graph representations in foundation models remains challenging and unsolved. Here we explore latent graph learning in generative models of neural signals. By testing against numerical simulations of neural circuits with known ground-truth connectivity, we evaluate several hypotheses for explaining learned model weights. We discover modest alignment between extracted network representations and the underlying directed graphs and strong alignment in the co-input graph representations. These findings motivate paths towards incorporating graph-based geometric constraints in the construction of large-scale foundation models for neural data.