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SciAtlas: 自動化された科学的研究のための大規模知識グラフ

概要

グローバルな学術出力の指数関数的な成長は、研究者およびAIエージェントに前例のない「情報爆発」をもたらしており、断片化され構造化されていない知識の整理が深い学際的統合を阻害している。現在の学術検索ツールは主に表面的なキーワードマッチングまたはベクトル空間における意味的検索に依存しており、複雑な論理的つながりをナビゲートするために必要な位相推論能力を欠いている。エージェント型ディープリサーチベースのフレームワークは、しばしば論理的ハルシネーションを引き起こし、推論コストが高額になる傾向がある。このギャップを埋めるため、本報告では、パノラマ的な科学進化ネットワークとして設計された大規模・多分野・異種学術リソース知識グラフであるSciAtlasを紹介する。26の分野にわたる4,300万本以上の論文、合計1億5,700万のエントリ、30億のトリプレットを統合することで、SciAtlasは学問の壁を解体し、AIエージェントにグローバルな視点を提供する構造化された位相的認知基盤を提供する。さらに、3パス協調検索とグラフ再ランク付けを特徴とする神経記号的検索アルゴリズムを開発し、単純な意味的マッチングから決定論的な関連性発見へのシームレスな移行を実現した。また、SciAtlasの主要な応用方向として、文献レビュー、自動研究動向の合成、アイデアの位置づけ、学術的軌跡の探索などを提示し、SciAtlasが自動科学研究のフルループを強化しつつ推論コストを大幅に削減する効果的な「認知マップ」として機能し得ることを実証する。KG検索および各種下流タスクのためのインターフェースをGitHubリポジトリで公開している。

One-sentence Summary

The authors introduce SciATLAS, a large-scale heterogeneous knowledge graph that integrates 43 million papers across 26 disciplines into 157 million entities and 3 billion triplets, employing a neuro-symbolic retrieval algorithm with tri-path collaborative recall and graph reranking to enable deterministic association discovery, significantly reduce reasoning costs, and serve as a cognitive map for automated scientific research.

Key Contributions

  • SciATLAS, a large-scale heterogeneous academic knowledge graph, integrates 43 million papers across 26 disciplines into a topological network comprising 157 million entities and 3 billion triplets. This structured substrate dismantles disciplinary barriers and equips AI agents with a deterministic cognitive foundation for interdisciplinary research.
  • A neuro-symbolic retrieval algorithm utilizing tri-path collaborative recall and graph reranking transitions literature search from semantic matching to deterministic association discovery. This method anchors large language models with explicit graph traversal to mitigate logical hallucinations and lower the inference costs of deep-research agents.
  • The framework enables key automated research workflows, including literature review, trend synthesis, idea positioning, and academic trajectory exploration. Publicly released interfaces for knowledge graph retrieval and downstream tasks confirm its utility as a scalable cognitive map for end-to-end research automation.

Introduction

The exponential growth of global academic output has created an information explosion that impedes deep interdisciplinary integration and challenges the efficiency of automated scientific research workflows. Current retrieval mechanisms struggle to support this domain because they rely on flattened keyword matching or vector-space semantic search, which lack the topological reasoning necessary to navigate complex logical connections. Furthermore, agentic deep-research frameworks often incur prohibitive inference costs and suffer from logical hallucinations due to missing deterministic cognitive maps. The authors present SciATLAS, a massive heterogeneous knowledge graph integrating over 43 million papers across 26 disciplines to provide a structured topological substrate for scientific discovery. They leverage a neuro-symbolic retrieval algorithm featuring tri-path collaborative recall and graph reranking to enable deterministic association discovery without iterative LLM calls. This approach allows AI agents to access a global cognitive perspective for tasks like idea positioning and trend synthesis while significantly reducing reasoning overhead.

Dataset

  • Source and Composition: The authors construct SciATLAS using OpenAlex as the foundational data source, which originally catalogs over 480 million academic publications. The knowledge graph centers on Papers and integrates interconnected entities including Authors, Institutions, Keywords, and a four-tier disciplinary hierarchy (Domains, Fields, Subfields, and Topics).

  • Scale and Filtering Rules: The finalized dataset contains 43.30 million papers, 109.70 million authors, 3.76 million keywords, and 0.12 million institutions. The filtering pipeline strictly retains English publications with sufficiently long abstracts and valid PDF URLs. It normalizes and deduplicates paper titles and institution names while intentionally preserving author duplicates to handle naming ambiguity. Records lacking critical attributes are removed.

  • Metadata Construction and Processing: To replace OpenAlex's sparse macroscopic concepts, the authors employ a lightweight LLM to extract three to eight reusable core keywords per paper from abstracts. Each keyword receives an importance score, and co-occurrence edges are weighted by frequency to capture conceptual links. The pipeline also generates semantic vectors using bge-large-en-v1.5 for titles, abstracts, and keywords, storing them directly as node attributes to enable hybrid retrieval.

  • Usage and Integration: The processed graph is deployed in Neo4j and organized across four relational levels: semantic (citations and relevance), conceptual (keyword co-occurrence), directional (disciplinary hierarchy), and social (authorship and institutional affiliations). Rather than relying on traditional training splits or mixture ratios, the authors leverage the knowledge graph for topological search and reasoning. They feed chronologically ordered paper sequences and author publication lists into structured LLM prompts to generate JSON outputs for research trend prediction and academic profiling.

Method

The retrieval system is designed to support a wide range of query types, including keywords, scientific questions, abstracts, idea texts, and complete papers, by mapping them into the knowledge graph (KG) through multiple distinct pathways. The framework begins with node matching, where queries are processed to identify candidate entities. For keyword-based queries, an LLM extracts a list of keywords along with their importance scores, forming a set K={(ki,sillm)}i=1m\mathcal{K} = \{(k_i, s_i^{\text{llm}})\}_{i=1}^{m}K={(ki,sillm)}i=1m. These keywords undergo exact text matching and vector-based semantic matching against the KG. For exact matches, the score is directly assigned as sillms_i^{\text{llm}}sillm, while for vector matches, the score is computed as sillmsim(ki,g)s_i^{\text{llm}} \cdot \text{sim}(k_i, \mathbf{g})sillmsim(ki,g), retaining nodes only if the similarity exceeds a threshold θkw\theta_{kw}θkw. The final weight for each keyword node ggg is the maximum of all its matching scores, resulting in the set Kseed={(g,wgkw)}\mathcal{K}_{\text{seed}} = \{(g, w_g^{kw})\}Kseed={(g,wgkw)}.

For semantic matching, the query qqq is embedded into a vector eq\mathbf{e}_qeq, and the top-60 papers are retrieved based on title and abstract embeddings. A reranker re-ranks these candidates, retaining the top-15 from each source. The final score for each paper ppp is a weighted combination of its title and abstract retrieval scores, normalized to handle missing values. Title matching is specifically applied when the query contains paper titles. GROBID extracts titles, and an LLM assigns confidence scores to each. These titles are normalized and matched against the KG using exact or fuzzy similarity, with a threshold θtitle\theta_{\text{title}}θtitle for filtering. The matching score for a paper ppp is cjm(tj,p)c_j \cdot m(t_j, p)cjm(tj,p), where m(tj,p)m(t_j, p)m(tj,p) combines LCS and token overlap. Multiple title matches are resolved by taking the maximum score.

The results from the semantic and title matching pathways are merged into a unified set of candidate paper nodes, Pseed\mathcal{P}_{\text{seed}}Pseed. To unify the scores, a dot product between the query embedding and the paper's title and abstract embeddings is computed, followed by MinMax normalization. The final pre-graph weight for each paper ppp is defined as sppre=λembs~pemb+λtitles~ptitle+bppres_p^{pre} = \lambda_{emb} \widetilde{s}_p^{emb} + \lambda_{title} \widetilde{s}_p^{title} + b_p^{pre}sppre=λembspemb+λtitlesptitle+bppre, where bppreb_p^{pre}bppre is a title bonus based on exact or fuzzy title hits. This process establishes the initial seed nodes for the retrieval.

The system then performs a 2-hop subgraph propagation from the seed nodes, treating all edges as undirected. To manage scalability, at most 500 nodes per entity type are selected at each hop. Paper importance is computed based on citation count using a logarithmic scaling to prevent dominance by highly cited papers. The unnormalized weight for each seed paper ppp is wpseed=sppre(1+γimp(p))w_p^{seed} = s_p^{pre} \cdot (1 + \gamma \cdot \text{imp}(p))wpseed=sppre(1+γimp(p)), where γ\gammaγ controls the influence of importance. For seed keywords, the weight is wqseed=wqkww_{\vec{q}}^{seed} = w_{\vec{q}}^{kw}wqseed=wqkw. The initial distribution s\mathbf{s}s over nodes is defined as sv=wvseed/Zs_v = w_v^{seed} / Zsv=wvseed/Z for nodes in the seed set S=PseedKseedS = \mathcal{P}_{\text{seed}} \cup \mathcal{K}_{\text{seed}}S=PseedKseed, with ZZZ as the normalization constant. Edge weights are assigned based on type, as defined in the table.

To explore topological relationships, a random walk with restart is performed on the graph. The transition probability from node uuu to neighbor vvv is ω(u,v)/xN(u)ω(u,x)\omega(u, v) / \sum_{x \in N(u)} \omega(u, x)ω(u,v)/xN(u)ω(u,x). The score vector r(t)\mathbf{r}^{(t)}r(t) is initialized as s\mathbf{s}s and updated iteratively as rv(t+1)=αsv+(1α)uru(t)P(vu)r_v^{(t+1)} = \alpha s_v + (1 - \alpha) \sum_u r_u^{(t)} P(v \mid u)rv(t+1)=αsv+(1α)uru(t)P(vu), where α\alphaα is the restart probability. The process terminates when the L1L_1L1 norm of the difference between consecutive iterations falls below 10610^{-6}106 or after 50 iterations. The final node score rvr_vrv is the result of this diffusion.

Finally, the system computes a comprehensive final score for each paper ppp as spfinal=min(1,λpres~ppre+λgraphs~pgraphgp+λimpimpfinal(p))s_p^{final} = \min(1, \lambda_{pre} \tilde{s}_p^{pre} + \lambda_{graph} \tilde{s}_p^{graph} g_p + \lambda_{imp} \text{imp}_{final}(p))spfinal=min(1,λpres~ppre+λgraphs~pgraphgp+λimpimpfinal(p)). The pre-graph score s~ppre\tilde{s}_p^{pre}s~ppre is MinMax-normalized, and the graph score s~pgraph\tilde{s}_p^{graph}s~pgraph is similarly normalized. The graph support factor gp=max(0.25,s~ppre)g_p = \max(0.25, \tilde{s}_p^{pre})gp=max(0.25,s~ppre) acts as a gate, ensuring that graph-discovered papers must have sufficient initial relevance to achieve high ranks. The final score combines initial relevance, topological support, and citation importance, and the top-20 papers are returned with detailed explanations.


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