Yunchong Song

Yunchong Song, Chenghu Zhou, Xinbing Wang et al. · meta-ai, mila

Most graph neural networks follow the message passing mechanism. However, it faces the over-smoothing problem when multiple times of message passing is applied to a graph, causing indistinguishable node representations and prevents the model to effectively learn dependencies between farther-away nodes. On the other hand, features of neighboring nodes with different labels are likely to be falsely mixed, resulting in the heterophily problem. In this work, we propose to order the messages passing into the node representation, with specific blocks of neurons targeted for message passing within specific hops. This is achieved by aligning the hierarchy of the rooted-tree of a central node with the ordered neurons in its node representation. Experimental results on an extensive set of datasets show that our model can simultaneously achieve the state-of-the-art in both homophily and heterophily settings, without any targeted design. Moreover, its performance maintains pretty well while the model becomes really deep, effectively preventing the over-smoothing problem. Finally, visualizing the gating vectors shows that our model learns to behave differently between homophily and heterophily settings, providing an explainable graph neural model.

Siyuan Huang, Yunchong Song, Jiayue Zhou et al.

Attention mechanisms have made significant strides in graph learning, yet they still exhibit notable limitations: local attention faces challenges in capturing long-range information due to the inherent problems of the message-passing scheme, while global attention cannot reflect the hierarchical neighborhood structure and fails to capture fine-grained local information. In this paper, we propose a novel multi-hop graph attention mechanism, named Subtree Attention (STA), to address the aforementioned issues. STA seamlessly bridges the fully-attentional structure and the rooted subtree, with theoretical proof that STA approximates the global attention under extreme settings. By allowing direct computation of attention weights among multi-hop neighbors, STA mitigates the inherent problems in existing graph attention mechanisms. Further we devise an efficient form for STA by employing kernelized softmax, which yields a linear time complexity. Our resulting GNN architecture, the STAGNN, presents a simple yet performant STA-based graph neural network leveraging a hop-aware attention strategy. Comprehensive evaluations on ten node classification datasets demonstrate that STA-based models outperform existing graph transformers and mainstream GNNs. The code is available at https://github.com/LUMIA-Group/SubTree-Attention.

Bo Xue, Yunchong Song, Fanghao Shao et al.

Standard autoregressive language models generate text token-by-token from a fixed vocabulary, inducing a tree-structured state space when viewing token sampling as an action, which limits flexibility and expressiveness. Recent work introduces dynamic vocabulary by sampling retrieved text spans but overlooks that the same sentence can be composed of spans of varying lengths, lacking explicit modeling of the directed acyclic graph (DAG) state space. This leads to restricted exploration of compositional paths and is biased toward the chosen path. Generative Flow Networks (GFlowNets) are powerful for efficient exploring and generalizing over state spaces, particularly those with a DAG structure. However, prior GFlowNets-based language models operate at the token level and remain confined to tree-structured spaces, limiting their potential. In this work, we propose Flow of SpanS (FOSS), a principled GFlowNets framework for span generation. FoSS constructs a dynamic span vocabulary by segmenting the retrieved text flexibly, ensuring a DAG-structured state space, which allows GFlowNets to explore diverse compositional paths and improve generalization. With specialized reward models, FoSS generates diverse, high-quality text. Empirically, FoSS improves MAUVE scores by up to 12.5% over Transformer on text generation and achieves 3.5% gains on knowledge-intensive tasks, consistently outperforming state-of-the-art methods. Scaling experiments further demonstrate FoSS benefits from larger models, more data, and richer retrieval corpora, retaining its advantage over strong baselines.

Bo Xue, Yi Xu, Bolei Ma et al.

Traditional knowledge graph completion (KGC) methods rely solely on structural information and struggle with sparsity, while Large Language Models (LLMs) address these limitations through rich world knowledge and strong context modeling. Fine-tuning LLMs is effective but costly, while non-fine-tuned LLMs are efficient but suboptimal. To address this trade-off, we propose \textbf{FLAME}, a framework that extracts context-aware hidden states from intermediate layers of frozen LLMs to train data-efficient KGC classifiers. We bridge LLM-KG semantic gaps via subgraph-based entity descriptions and employ sliced mutual information (SMI) to quantify task-relevant information in representations. Experiments demonstrate that FLAME achieves 47\% improvement over non-fine-tuned LLM baselines and, to our knowledge, is the first to achieve fine-tuned performance with $188\times$ memory efficiency and $26.11\times$ speedup.

Zhouhan Lin, Cheng Deng, Le Zhou et al.

Large language models (LLMs) have achieved huge success for their general knowledge and ability to solve a wide spectrum of tasks in natural language processing (NLP). Due to their impressive abilities, LLMs have shed light on potential inter-discipline applications to foster scientific discoveries of a specific domain by using artificial intelligence (AI for science, AI4S). In the meantime, utilizing NLP techniques in geoscience research and practice is wide and convoluted, contributing from knowledge extraction and document classification to question answering and knowledge discovery. In this work, we take the initial step to leverage LLM for science, through a rather straightforward approach. We try to specialize an LLM into geoscience, by further pre-training the model with a vast amount of texts in geoscience, as well as supervised fine-tuning (SFT) the resulting model with our custom collected instruction tuning dataset. These efforts result in a model GeoGalactica consisting of 30 billion parameters. To our best knowledge, it is the largest language model for the geoscience domain. More specifically, GeoGalactica is from further pre-training of Galactica. We train GeoGalactica over a geoscience-related text corpus containing 65 billion tokens, preserving as the largest geoscience-specific text corpus. Then we fine-tune the model with 1 million pairs of instruction-tuning data consisting of questions that demand professional geoscience knowledge to answer. In this technical report, we will illustrate in detail all aspects of GeoGalactica, including data collection, data cleaning, base model selection, pre-training, SFT, and evaluation. We open-source our data curation tools and the checkpoints of GeoGalactica during the first 3/4 of pre-training.

Yuliang Liu, Yunchong Song, Yixuan Wang et al.

We propose Next Concept Prediction (NCP), a generative pretraining paradigm built on top of Next Token Prediction (NTP). NCP predicts discrete concepts that span multiple tokens, thereby forming a more challenging pretraining objective. Our model, ConceptLM, quantizes hidden states using Vector Quantization and constructs a concept vocabulary. It leverages both NCP and NTP to drive parameter updates and generates a concept to guide the generation of the following tokens. We train ConceptLM from scratch at scales ranging from 70M to 1.5B parameters with up to 300B training data, including Pythia and GPT-2 backbones. Results on 13 benchmarks show that NCP yields consistent performance gains over traditional token-level models. Furthermore, continual pretraining experiments on an 8B-parameter Llama model indicate that NCP can further improve an NTP-trained model. Our analysis suggests that NCP leads to more powerful language models by introducing a harder pretraining task, providing a promising path toward better language modeling.

Lin Chen, Samuel Drapeau, Fanghao Shao et al.

Generative Flow Network (GFlowNet) objectives implicitly fix an equal mixing of forward and backward policies, potentially constraining the exploration-exploitation trade-off during training. By further exploring the link between GFlowNets and Markov chains, we establish an equivalence between GFlowNet objectives and Markov chain reversibility, thereby revealing the origin of such constraints, and provide a framework for adapting Markov chain properties to GFlowNets. Building on these theoretical findings, we propose $α$-GFNs, which generalize the mixing via a tunable parameter $α$. This generalization enables direct control over exploration-exploitation dynamics to enhance mode discovery capabilities, while ensuring convergence to unique flows. Across various benchmarks, including Set, Bit Sequence, and Molecule Generation, $α$-GFN objectives consistently outperform previous GFlowNet objectives, achieving up to a $10 \times$ increase in the number of discovered modes.

Xuekai Zhu, Daixuan Cheng, Dinghuai Zhang et al. · stanford, tsinghua

We propose FlowRL: matching the full reward distribution via flow balancing instead of maximizing rewards in large language model (LLM) reinforcement learning (RL). Recent advanced reasoning models adopt reward-maximizing methods (\eg, PPO and GRPO), which tend to over-optimize dominant reward signals while neglecting less frequent but valid reasoning paths, thus reducing diversity. In contrast, we transform scalar rewards into a normalized target distribution using a learnable partition function, and then minimize the reverse KL divergence between the policy and the target distribution. We implement this idea as a flow-balanced optimization method that promotes diverse exploration and generalizable reasoning trajectories. We conduct experiments on math and code reasoning tasks: FlowRL achieves a significant average improvement of $10.0\%$ over GRPO and $5.1\%$ over PPO on math benchmarks, and performs consistently better on code reasoning tasks. These results highlight reward distribution-matching as a key step toward efficient exploration and diverse reasoning in LLM reinforcement learning.

Yunchong Song, Siyuan Huang, Xinbing Wang et al.

Graph pooling compresses graph information into a compact representation. State-of-the-art graph pooling methods follow a hierarchical approach, which reduces the graph size step-by-step. These methods must balance memory efficiency with preserving node information, depending on whether they use node dropping or node clustering. Additionally, fixed pooling ratios or numbers of pooling layers are predefined for all graphs, which prevents personalized pooling structures from being captured for each individual graph. In this work, inspired by bottom-up grammar induction, we propose an efficient graph parsing algorithm to infer the pooling structure, which then drives graph pooling. The resulting Graph Parsing Network (GPN) adaptively learns personalized pooling structure for each individual graph. GPN benefits from the discrete assignments generated by the graph parsing algorithm, allowing good memory efficiency while preserving node information intact. Experimental results on standard benchmarks demonstrate that GPN outperforms state-of-the-art graph pooling methods in graph classification tasks while being able to achieve competitive performance in node classification tasks. We also conduct a graph reconstruction task to show GPN's ability to preserve node information and measure both memory and time efficiency through relevant tests.

Yunchong Song, Jushi Kai, Liming Lu et al.

Transformers face a quadratic bottleneck in attention when scaling to long contexts. Recent approaches introduce recurrent memory to extend context beyond the current window, yet these often face a fundamental trade-off between theoretical principles and practical scalability. To address this, we introduce Elastic Memory, a novel memory architecture grounded in the HiPPO framework for online function approximation. Elastic Memory treats historical sequence as samples from continuous signals, applying optimal online compression to encode them into a fixed-size memory state. For retrieval, we propose a flexible \textit{polynomial sampling} mechanism that reconstructs a history summary from this compressed state. Elastic Memory consistently outperformed baselines on long-context (32k+) datasets across three domains. With equal parameters, it beat Memorizing Transformer by 16x memory and outperformed Melodi at all memory sizes, even when Melodi had 30% more parameters. When scaling model size, Elastic Memory stayed ahead of all baselines and was significantly faster than Melodi at 4x size. Furthermore, its decoupled design allows for injecting inductive biases at test-time to boost performance.