arXiv:2609.37604v1 Announce Type: new
Abstract: Graph foundation models need a discrete token representation, but casting a graph as a generatable token sequence faces a structural obstacle: edges sp...
By Yuxiang Yao, Zijun Zhao
The paper introduces ePID, an embedding-based approach that scales partial information decomposition (PID) to large symptom networks by compressing non‑focal symptoms into a low‑cardinality discrete embedding. Using a supervised Agglomerative Conditional Information Bottleneck (ACIB) embedding, ePID accurately recovers source‑unique, remainder‑unique, redundant, and synergistic components for each ordered source‑target pair across 83 real‑world datasets, outperforming 12 other embeddings. Applied to PHQ‑9 and the Interpersonal Reactivity Index, ePID reveals distinct patterns of redundancy and synergy that align with each instrument’s construction, demonstrating its ability to separate overlapping from interaction‑dependent information in symptom networks.
By Cillian Hourican, Eric Dignum, Rick Quax, Debraj Roy
The study evaluates whether a portfolio of compact, semantically named descriptor blocks can match the performance of a 2048‑dimensional CheMeleon embedding in low‑data molecular assays. Using a fixed 11‑dimensional physicochemical base and greedily adding provenance‑screened blocks, the portfolio achieves a mean test AUC of 0.762 across nine ADME/Tox assays, comparable to CheMeleon’s 0.764 and better than Mordred’s 0.756. The results meet a predeclared pooled parity threshold but not all per‑assay thresholds, and further analysis confirms the competitiveness of the auditable representation while highlighting unresolved assay‑level differences.
By Yiqi Yao, Miquel Duran-Frigola
arXiv:2603. 24025v2 Announce Type: replace Abstract: Unsupervised learning of high-dimensional data is challenging due to irrelevant or noisy features obscuring underlying structures.
By Chen Ma, Wanjie Wang, Shuhao Fan
arXiv:2407. 07357v3 Announce Type: replace Abstract: Predicting signed interactions in biological networks is crucial for understanding drug mechanisms and facilitating drug repurposing.
By Ziye Zhou, Meijie Wang, Lun Yu
arXiv:2606. 11562v1 Announce Type: new Abstract: Graph analysis underlies many applications whose answers cannot be looked up in a single record or retrieved along a path: laundering rings, drug repurposing, user preference, and scientific theme are all inferred from a node together with its neighbourhood.
By Zhuoyi Peng, Jingzhou Jiang, Hanlin Gu, Lixin Fan, Yi Yang