Computer Science and Artificial Intelligence Laboratory, Massachusetts Institute of Technology, Cambridge, U.S.A
Abstract:Graph Contrastive Learning (GCL), which trains graph encoders by maximizing similarity between positive samples and minimizing it between negative ones, has emerged as a mainstream graph pre-training paradigm. It is widely recognized that positive samples are essential in GCLs. Ideally, maximizing the similarity of positive samples enables graph encoders to capture intrinsic semantic and patterns of graph data. However, we discover an interesting phenomenon: GCLs can achieve competitive performance even without positive samples. This motivates us to revisit the fundamental mechanism of positive samples in GCLs. From the perspective of Dirichlet energy, we theoretically finds that message passing, a key mechanism in graph encoders, trivializes the maximization of positive samples, preventing GCLs from effectively learning from positive samples. To address this, we propose SPGCL to mitigate the trivialization caused by message passing and restore the learning efficacy of positive samples. Specifically, we find that high Dirichlet energy features help positive samples provide effective learning signals while low Dirichlet energy features contribute little to positive learning signal but is useful for positive sampling. Based on this, SPGCL propagates only high Dirichlet energy features and uses low energy features to construct a probability matrix for reliable positive sampling. Extensive experiments demonstrate the effectiveness of SPGCL.
Abstract:Knowledge Graph Completion (KGC) aims at predicting missing triplets from incomplete knowledge graphs, which is crucial for downstream applications. Recently, Graph Neural Network (GNN)-based methods have achieved remarkable success by performing message passing over query-centered local subgraphs. However, in practice, a query is jointly defined by both the entity and the relation, with both carrying information indispensable for reasoning, yet these methods rely solely on the query relation as the guiding signal, while the information inherent in the query entity is not leveraged to guide inference - the entity serves merely as a structural anchor for subgraph extraction. To this end, we incorporate query entity information into the reasoning process from two perspectives: the first is structural context, i.e., the neighboring structure and relation patterns around the entity, which is encoded by a dedicated context encoder and used to modulate messages; the second is semantic type of the entity, inferred by a large language model, which is incorporated into attention computation and final scoring to provide type-level prior constraints. Together, these two sources of information enable the reasoning process to be guided by both the query relation and the query entity. Experimental results on standard benchmarks demonstrate the effectiveness of the proposed Q-GNN.
Abstract:Graph foundation models aim to learn transferable knowledge from diverse graphs for generalization to unseen graphs and tasks. Unlike text and images, graphs lack a shared vocabulary or regular spatial grid, making cross-graph transfer challenging. This challenge comes from both feature discrepancies and, more critically, diverse graph structures. Existing GFMs mainly improve transferability by unifying feature spaces or incorporating structural tokens and vocabularies. However, existing topology-aware designs still have limitations. Structural tokens are usually discrete, while structural vocabularies often rely on predefined substructures such as trees and cycles, whose limited coverage may miss richer relational patterns across graphs. Moreover, graph signals contain both high-frequency local patterns and smoother low-frequency patterns, which require different propagation behaviors. These components are often entangled in raw graph signals, while this spectral perspective is rarely explored in existing GFMs. To address these challenges, we propose SPG, a graph foundation model with spectral parsing and prototype-guided spatial propagation. SPG applies learnable Chebyshev filters to decompose node features into multiple spectral responses, reducing the mismatch between frequency-specific graph signals and propagation behaviors. It then constructs a Gromov-Wasserstein prototype geometry to distill transferable pairwise relations beyond predefined substructures into a shared structural space. The learned prototype geometry is further projected back as a prototype-guided propagation operator. Experiments demonstrate consistent improvements in cross-domain generalization.
Abstract:The growing interest in Temporal Graph Neural Networks (TGNNs) stems from their ability to model complex dynamics and deliver superior performance. However, TGNNs encounter fundamental challenges in capturing long-term dependencies and identifying periodic patterns. To address these limitations, we propose TGFormer, a novel Transformer architecture specifically designed for temporal graphs. Our model redefines temporal graph learning by establishing a trajectory framework that aligns with time series analysis principles. This approach allows TGFormer to derive node representations through systematic analysis of historical interactions, enabling granular examination of node relationships across sequential timestamps. Building upon stochastic process theory, we develop an auto-correlation mechanism that systematically uncovers periodic dependencies in node interactions. This innovation empowers TGFormer to perform dependency discovery and representation aggregation at sub-interaction levels, demonstrating superior efficiency and accuracy compared to conventional attention mechanisms. Experimental validation across six public benchmarks confirms the effectiveness of our approach, with TGFormer at most achieving 9.35\% precision improvement compared to state-of-the-art approaches.
Abstract:We introduce JT-Safe-V2, a large language model designed to advance the safety and trustworthiness of foundation models, extending our previous JT-Safe model toward a more comprehensive safety-by-design paradigm. JT-Safe-V2 emphasizes the joint optimization of general intelligence and safety-by-design through several key innovations: enriching pre-training data with contextual world knowledge, high-certainty pre-training procedures, and safety strengthening post-training mechanisms for enterprise-oriented agentic capabilities. Building on these safety-enhanced foundation models, we propose Safe-MoMA (Safe Mixture of Models and Agents), a framework that enables traceable and efficient inference through the orchestrated deployment of multiple models and agents. Extensive evaluations demonstrate that JT-Safe-V2 achieves state-of-the-art performance across both general intelligence and safety benchmarks. Moreover, Safe-MoMA reduces inference costs by more than 30\% compared to using the largest standalone model baseline while maintaining comparable performance. To facilitate future research on safety-by-design foundation models, we publicly release the post-trained JT-Safe-V2-35B model checkpoint.
Abstract:Graph pre-training has achieved remarkable success in recent years, delivering transferable representations for downstream adaptation. However, most existing methods are designed for either homogeneous or heterogeneous graphs, thereby hindering unified graph modeling across diverse graph types. This separation contradicts real-world applications, where mixed homogeneous and heterogeneous graphs are ubiquitous, and distribution shifts between upstream pre-training and downstream deployment are common. In this paper, we empirically demonstrate that a balanced mixture of homogeneous and heterogeneous graph pre-training benefits downstream tasks and propose a unified multi-domain \textbf{G}raph \textbf{P}re-training method across \textbf{H}omogeneous and \textbf{H}eterogeneous graphs ($\mathbf{GPH^{2}}$). To address the lack of a unified encoder for homogeneous and heterogeneous graphs, we propose a Unified Multi-View Graph Construction that simultaneously encodes both without explicit graph-type-specific designs. To cope with the increased cross-domain distribution discrepancies arising from mixed graphs, we introduce domain-specific expert encoding. Each expert is independently pre-trained on a single graph to capture domain-specific knowledge, thereby shielding the pre-training encoder from the adverse effects of cross-domain discrepancies. For downstream tasks, we further design a Task-oriented Expert Fusion Strategy that adaptively integrates multiple experts based on their discriminative strengths. Extensive experiments on mixed graphs demonstrate that $\text{GPH}^{2}$ enables stable transfer across graph types and domains, significantly outperforming existing graph pre-training methods.
Abstract:Graph Prompt Learning (GPL) has recently emerged as a promising paradigm for downstream adaptation of pre-trained graph models, mitigating the misalignment between pre-training objectives and downstream tasks. Recently, the focus of GPL has shifted from in-domain to cross-domain scenarios, which is closer to the real world applications, where the pre-training source and downstream target often differ substantially in data distribution. However, why GPLs remain effective under such domain shifts is still unexplored. Empirically, we observe that representative GPL methods are competitive with two simple baselines in cross-domain settings: full fine-tuning (FT) and linear probing (LP), motivating us to explore a deeper understanding of the prompting mechanism. We provide a theoretical analysis demonstrating that jointly leveraging these two complementary branches yields a smaller estimation error than using either branch alone, formally proving that cross-domain GPL benefits from the integration between pre-trained knowledge and task-specific adaptation. Based on this insight, we propose GP2F, a dual-branch GPL method that explicitly instantiates the two extremes: (1) a frozen branch that retains pre-trained knowledge, and (2) an adapted branch with lightweight adapters for task-specific adaptation. We then perform adaptive fusion under topology constraints via a contrastive loss and a topology-consistent loss. Extensive experiments on cross-domain few-shot node and graph classification demonstrate that our method outperforms existing methods.
Abstract:Autonomous Machine Learning Engineering (MLE) requires agents to perform sustained, iterative optimization over long horizons. While recent LLM-based agents show promise, current prompt-based agents for MLE suffer from behavioral stagnation due to frozen parameters. Although Reinforcement Learning (RL) offers a remedy, applying it to MLE is hindered by prohibitive execution latency and inefficient data selection. Recognizing these challenges, we propose AceGRPO with two core components: (1) Evolving Data Buffer that continuously repurposes execution traces into reusable training tasks, and (2) Adaptive Sampling guided by a Learnability Potential function, which dynamically prioritizes tasks at the agent's learning frontier to maximize learning efficiency. Leveraging AceGRPO, our trained Ace-30B model achieves a 100% valid submission rate on MLE-Bench-Lite, approaches the performance of proprietary frontier models, and outperforms larger open-source baselines (e.g., DeepSeek-V3.2), demonstrating robust capability for sustained iterative optimization. Code is available at https://github.com/yuzhu-cai/AceGRPO.
Abstract:Interactive tool-using agents must solve real-world tasks via multi-turn interaction with both humans and external environments, requiring dialogue state tracking, multi-step tool execution, while following complex instructions. Post-training such agents is challenging because synthesis for high-quality multi-turn tool-use data is difficult to scale, and reinforcement learning (RL) could face noisy signals caused by user simulation, leading to degraded training efficiency. We propose a unified framework that combines a self-evolving data agent with verifier-based RL. Our system, EigenData, is a hierarchical multi-agent engine that synthesizes tool-grounded dialogues together with executable per-instance checkers, and improves generation reliability via closed-loop self-evolving process that updates prompts and workflow. Building on the synthetic data, we develop an RL recipe that first fine-tunes the user model and then applies GRPO-style training with trajectory-level group-relative advantages and dynamic filtering, yielding consistent improvements beyond SFT. Evaluated on tau^2-bench, our best model reaches 73.0% pass^1 on Airline and 98.3% pass^1 on Telecom, matching or exceeding frontier models. Overall, our results suggest a scalable pathway for bootstrapping complex tool-using behaviors without expensive human annotation.
Abstract:The advancement of artificial intelligence toward agentic science is currently bottlenecked by the challenge of ultra-long-horizon autonomy, the ability to sustain strategic coherence and iterative correction over experimental cycles spanning days or weeks. While Large Language Models (LLMs) have demonstrated prowess in short-horizon reasoning, they are easily overwhelmed by execution details in the high-dimensional, delayed-feedback environments of real-world research, failing to consolidate sparse feedback into coherent long-term guidance. Here, we present ML-Master 2.0, an autonomous agent that masters ultra-long-horizon machine learning engineering (MLE) which is a representative microcosm of scientific discovery. By reframing context management as a process of cognitive accumulation, our approach introduces Hierarchical Cognitive Caching (HCC), a multi-tiered architecture inspired by computer systems that enables the structural differentiation of experience over time. By dynamically distilling transient execution traces into stable knowledge and cross-task wisdom, HCC allows agents to decouple immediate execution from long-term experimental strategy, effectively overcoming the scaling limits of static context windows. In evaluations on OpenAI's MLE-Bench under 24-hour budgets, ML-Master 2.0 achieves a state-of-the-art medal rate of 56.44%. Our findings demonstrate that ultra-long-horizon autonomy provides a scalable blueprint for AI capable of autonomous exploration beyond human-precedent complexities.