Understanding complex systems by inferring trajectories from sparse sample snapshots is a fundamental challenge in a wide range of domains, e.g., single-cell biology, meteorology, and economics. Despite advancements in Bridge and Flow matching frameworks, current methodologies rely on pairwise interpolation between adjacent snapshots. This hinders their ability to capture long-range temporal dependencies and potentially affects the coherence of the inferred trajectories. To address these issues, we introduce Momentum Multi-Marginal Schrödinger Bridge Matching (3MSBM), a novel matching framework that learns smooth measure-valued splines for stochastic systems that satisfy multiple positional constraints. This is achieved by lifting the dynamics to phase space and generalizing stochastic bridges to be conditioned on several points, forming a multi-marginal conditional stochastic optimal control problem. The underlying dynamics are then learned by minimizing a variational objective, having fixed the path induced by the multi-marginal conditional bridge. As a matching approach, 3MSBM learns transport maps that preserve intermediate marginals throughout training, significantly improving convergence and scalability. Extensive experimentation in a series of real-world applications validates the superior performance of 3MSBM compared to existing methods in capturing complex dynamics with temporal dependencies, opening new avenues for training matching frameworks in multi-marginal settings.

Learning with relational and network-structured data is increasingly vital in sensitive domains where protecting the privacy of individual entities is paramount. Differential Privacy (DP) offers a principled approach for quantifying privacy risks, with DP-SGD emerging as a standard mechanism for private model training. However, directly applying DP-SGD to relational learning is challenging due to two key factors: (i) entities often participate in multiple relations, resulting in high and difficult-to-control sensitivity; and (ii) relational learning typically involves multistage, potentially coupled (interdependent) sampling procedures that make standard privacy amplification analyses inapplicable. This work presents a principled framework for relational learning with formal entity-level DP guarantees. We provide a rigorous sensitivity analysis and introduce an adaptive gradient clipping scheme that modulates clipping thresholds based on entity occurrence frequency. We also extend the privacy amplification results to a tractable subclass of coupled sampling, where the dependence arises only through sample sizes. These contributions lead to a tailored DP-SGD variant for relational data with provable privacy guarantees. Experiments on fine-tuning text encoders over text-attributed network-structured relational data demonstrate the strong utility-privacy trade-offs of our approach.

Flexible docking, which predicts the binding conformations of both proteins and small molecules by modeling their structural flexibility, plays a vital role in structure-based drug design. Although recent generative approaches, particularly diffusion-based models, have shown promising results, they require iterative sampling to generate candidate structures and depend on separate scoring functions for pose selection. This leads to an inefficient pipeline that is difficult to scale in real-world drug discovery workflows. To overcome these challenges, we introduce FIGRDock, a fast and accurate flexible docking framework that understands complicated interactions between molecules and proteins with a regression-based approach. FIGRDock leverages initial docking poses from conventional tools to distill interaction-aware distance patterns, which serve as explicit structural conditions to directly guide the prediction of the final protein-ligand complex via a regression model. This one-shot inference paradigm enables rapid and precise pose prediction without reliance on multi-step sampling or external scoring stages. Experimental results show that FIGRDock achieves up to 100 faster inference than diffusion-based docking methods, while consistently surpassing them in accuracy across standard benchmarks. These results suggest that FIGRDock has the potential to offer a scalable and efficient solution for flexible docking, advancing the pace of structure-based drug discovery.4

Deep ensembles deliver state-of-the-art, reliable uncertainty quantification, but their heavy computational and memory requirements hinder their practical deployments to real applications such as on-device AI. Knowledge distillation compresses an ensemble into small student models, but existing techniques struggle to preserve uncertainty partly because reducing the size of DNNs typically results in variation reduction. To resolve this limitation, we introduce a new method of distribution distillation (i.e.

While Large Language Models (LLMs) demonstrate strong performance across domains, their long-context capabilities are limited by transient neural activations causing information decay and unstructured feed-forward network (FFN) weights leading to semantic fragmentation. Inspired by the brain's working memory and cortical modularity, we propose PaceLLM, featuring two innovations: (1) a Persistent Activity (PA) Mechanism that mimics prefrontal cortex (PFC) neurons' persistent firing by introducing an activation-level memory bank to dynamically retrieve, reuse, and update critical FFN states, addressing contextual decay; and (2) Cortical Expert (CE) Clustering that emulates task-adaptive neural specialization to reorganize FFN weights into semantic modules, establishing cross-token dependencies and mitigating fragmentation.

Google just introduced a new smart home speaker yesterday, but the arrival of a new product heralds the end of others. The company has confirmed that it will end production of the Nest Home Mini and Nest Audio. These Nest devices have been on the market for around five years (or longer, if you count 2017's Google Home Mini) and it seems logical for Google to prioritize the newer generation given the current strategy of putting its Gemini chatbot everywhere it possibly can. Although the pair of speakers has been discontinued, any of the two smart home products in the wild will remain operational. Existing Nest Mini and Nest Audio devices will continue to be fully supported with regular software updates, security patches and customer care, a rep from Google told Engadget.

Accurate network estimation serves as the cornerstone for understanding complex systems across scientific domains, from decoding gene regulatory networks in systems biology to identifying social relationship patterns in computational sociology. Modern applications demand methods that simultaneously address two critical challenges: capturing nonlinear dependencies between variables and reconstructing inherent hierarchical structures where higher-level entities coordinate lower-level components (e.g., functional pathways organizing gene clusters). Traditional Gaussian graphical models fundamentally fail in these aspects due to their restrictive linear assumptions and flat network representations. We propose NNBLNet, a neural network-based learning framework for bi-level network inference. The core innovation lies in hierarchical selection layers that enforce structural consistency between high-level coordinator groups and their constituent low-level connections via adaptive sparsity constraints. This architecture is integrated with a compositional neural network architecture that learn cross-level association patterns through constrained nonlinear transformations, explicitly preserving hierarchical dependencies while overcoming the representational limitations of linear methods. Crucially, we establish formal theoretical guarantees for the consistent recovery of both high-level connections and their internal low-level structures under general statistical regimes. Extensive validation demonstrates NNBLNet's effectiveness across synthetic and real-world scenarios, achieving superior F1 scores compared to competitive methods and particularly beneficial for complex systems analysis through its interpretable bi-level structure discovery.

In this work, we first empirically demonstrate the instability and suboptimal performance of existing popular MU methods when deployed in different scenarios. To address this issue, we propose Dual Optimizer (DualOptim), which incorporates adaptive learning rate and decoupled momentum factors. Empirical and theoretical evidence demonstrates that DualOptim contributes to effective and stable unlearning. Through extensive experiments, we show that DualOptim can significantly boost MU efficacy and stability across diverse tasks, including image classification, image generation, and large language models, making it a versatile approach to empower existing MU algorithms.

Continual learning in computer vision faces the critical challenge of catastrophic forgetting, where models struggle to retain prior knowledge while adapting to new tasks. Although recent studies have attempted to leverage the generalization capabilities of pre-trained models to mitigate overfitting on current tasks, models still tend to forget details of previously learned categories as tasks progress, leading to misclassification. To address these limitations, we introduce a novel Knowledge Graph Enhanced Generative Multi-modal model (KG-GMM) that builds an evolving knowledge graph throughout the learning process. Our approach utilizes relationships within the knowledge graph to augment the class labels and assigns different relations to similar categories to enhance model differentiation. During testing, we propose a Knowledge Graph Augmented Inference method that locates specific categories by analyzing relationships within the generated text, thereby reducing the loss of detailed information about old classes when learning new knowledge and alleviating forgetting. Experiments demonstrate that our method effectively leverages relational information to help the model correct mispredictions, achieving state-of-the-art results in both conventional CIL and few-shot CIL settings, confirming the efficacy of knowledge graphs at preserving knowledge in the continual learning scenarios.

Graph domain adaptation (GDA) is a fundamental task in graph machine learning, with techniques like shift-robust graph neural networks (GNNs) and specialized training procedures to tackle the distribution shift problem. Although these modelcentric approaches show promising results, they often struggle with severe shifts and constrained computational resources. To address these challenges, we propose a novel model-free framework, GRADATE (GRAph DATa sElector), that selects the best training data from the source domain for the classification task on the target domain. GRADATE picks training samples without relying on any GNN model's predictions or training recipes, leveraging optimal transport theory to capture and adapt to distribution changes. GRADATE is data-efficient, scalable and meanwhile complements existing model-centric GDA approaches. Through comprehensive empirical studies on several real-world graph-level datasets and multiple covariate shift types, we demonstrate that GRADATE outperforms existing selection methods and enhances off-the-shelf GDA methods with much fewer training data.