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Ultrametric Cluster Hierarchies: IWant'em All!

Neural Information Processing Systems

Hierarchical clustering is a powerful tool for exploratory data analysis, organizing data into a tree of clusterings from which a partition can be chosen. This paper generalizes these ideas by proving that, for any reasonable hierarchy, one can optimally solve any center-based clustering objective over it (such as k-means). Moreover, these solutions can be found exceedingly quickly and are themselves necessarily hierarchical. Thus, given a cluster tree, we show that one can quickly access a plethora of new, equally meaningful hierarchies. Just as in standard hierarchical clustering, one can then choose any desired partition from these new hierarchies. We conclude by verifying the utility of our proposed techniques across datasets, hierarchies, and partitioning schemes.


SEAL: Semantic-Aware Hierarchical Learning for Generalized Category Discovery

Neural Information Processing Systems

This paper investigates the problem of Generalized Category Discovery (GCD). Given a partially labelled dataset, GCD aims to categorize all unlabelled images, regardless of whether they belong to known or unknown classes. Existing approaches typically depend on either single-level semantics or manually designed abstract hierarchies, which limit their generalizability and scalability. To address these limitations, we introduce a SEmantic-aware hierArchical Learning framework (SEAL), guided by naturally occurring and easily accessible hierarchical structures. Within SEAL, we propose a Hierarchical Semantic-Guided Soft Contrastive Learning approach that exploits hierarchical similarity to generate informative soft negatives, addressing the limitations of conventional contrastive losses that treat all negatives equally. Furthermore, a Cross-Granularity Consistency (CGC) module is designed to align the predictions from different levels of granularity. SEAL consistently achieves state-of-the-art performance on finegrained benchmarks, including the SSB benchmark, Oxford-Pet, and the Herbarium19 dataset, and further demonstrates generalization on coarse-grained datasets.


AHierarchy of Graphical Models for Counterfactual Inferences

Neural Information Processing Systems

Graphical models have been widely used as parsimonious encoders of assumptions of the underlying causal system and provide a basis for causal inferences. Models encoding stronger constraints tend to require higher expressive power, which are also harder, and sometimes impossible to empirically falsify. In this paper, we introduce two new collections of distributions that include counterfactual quantities which are experimentally accessible under counterfactual randomizations. Correspondingly, we define two new classes of graphical models for encoding empirically testable constraints in these distributions. We further present a sound and complete calculus, based on counterfactual calculus, which licenses inferences in these two new models with rules that are within the empirically falsifiable boundary. Finally, we formulate a hierarchy over several graphical models based on the constraints they encode and study the fundamental trade-off between the expressive power and empirical falsifiability of different models across the hierarchy.


Structural Information-based Hierarchical Diffusion for Offline Reinforcement Learning

Neural Information Processing Systems

Diffusion-based generative methods have shown promising potential for modeling trajectories from offline reinforcement learning (RL) datasets, and hierarchical diffusion has been introduced to mitigate variance accumulation and computational challenges in long-horizon planning tasks. However, existing approaches typically assume a fixed two-layer diffusion hierarchy with a single predefined temporal scale, which limits adaptability to diverse downstream tasks and reduces flexibility in decision making. In this work, we propose SIHD, a novel Structural Information-based Hierarchical Diffusion framework for effective and stable offline policy learning in long-horizon environments with sparse rewards. Specifically, we analyze structural information embedded in offline trajectories to construct the diffusion hierarchy adaptively, enabling flexible trajectory modeling across multiple temporal scales. Rather than relying on reward predictions from localized sub-trajectories, we quantify the structural information gain of each state community and use it as a conditioning signal within the corresponding diffusion layer. To reduce overreliance on offline datasets, we introduce a structural entropy regularizer that encourages exploration of underrepresented states while avoiding extrapolation errors from distributional shifts. Extensive evaluations show that SIHD significantly outperforms state-of-the-art baselines in decision-making performance and demonstrates superior generalization across diverse scenarios.


MOOSE-Chem2: Exploring LLMLimits in Fine-Grained Scientific Hypothesis Discovery via Hierarchical Search

Neural Information Processing Systems

Large language models (LLMs) have shown promise in automating scientific hypothesis generation, yet existing approaches primarily yield coarse-grained hypotheses lacking critical methodological and experimental details. We introduce and formally define the new task of fine-grained scientific hypothesis discovery, which entails generating detailed, experimentally actionable hypotheses from coarse initial research directions. We frame this as a combinatorial optimization problem and investigate the upper limits of LLMs' capacity to solve it when maximally leveraged. Specifically, we explore four foundational questions: (1) how to best harness an LLM's internal heuristics to formulate the fine-grained hypothesis it itself would judge as the most promising among all the possible hypotheses it might generate, based on its own internal scoring-thus defining a latent reward landscape over the hypothesis space; (2) whether such LLM-judged better hypotheses exhibit stronger alignment with ground-truth hypotheses; (3) whether shaping the reward landscape using an ensemble of diverse LLMs of similar capacity yields better outcomes than defining it with repeated instances of the strongest LLM among them; and (4) whether an ensemble of identical LLMs provides a more reliable reward landscape than a single LLM. To address these questions, we propose a hierarchical search method that incrementally proposes and integrates details into the hypothesis, progressing from general concepts to specific experimental configurations. We show that this hierarchical process smooths the reward landscape and enables more effective optimization. Empirical evaluations on a new benchmark of expert-annotated fine-grained hypotheses from recent literature show that our method consistently outperforms strong baselines.1


Anatomically inspired digital twin

Neural Information Processing Systems

Invariant object recognition-the ability to identify objects despite changes in appearance-is a hallmark of visual processing in the brain, yet its understanding remains a central challenge in systems neuroscience. Artificial neural networks trained to predict neural responses to visual stimuli ("digital twins") could provide a powerful framework for studying such complex computations in silico. However, while current models accurately capture single-neuron responses within individual visual areas, their ability to reproduce how populations of neurons represent object identity, and how these representations transform across the cortical hierarchy, remains largely unexplored. Here we examine key functional signatures observed experimentally and find that current models account for hierarchical changes in basic single-neuron properties, such as receptive field size, but fail to capture more complex population-level phenomena, particularly invariant object representations. To address this gap, we introduce a biologically inspired hierarchical readout scheme that mirrors cortical anatomy, modeling each visual area as a projection from a distinct depth within a shared core network. This approach significantly improves the prediction of population-level representational transformations, outperforming standard models that use only the final layer, as well as alternatives with modified architecture, regularization, and loss function. Our results suggest that incorporating anatomical information provides a strong inductive bias in digital twin models, enabling them to better capture general principles of brain function.


TreeGen: ABayesian Generative Model for Hierarchies

Neural Information Processing Systems

In this work, we introduce TreeGen, a novel generative framework modeling distributions over hierarchies. We extend Bayesian Flow Networks (BFNs) to enable transitions between probabilistic and discrete hierarchies parametrized via categorical distributions. Our proposed scheduler provides smooth and consistent entropy decay across varying numbers of categories. We empirically evaluate TreeGen on the jet-clustering task in high-energy physics, demonstrating that it consistently generates valid trees that adhere to physical constraints and closely align with ground-truth log-likelihoods. Finally, by comparing TreeGen's samples to the exact posterior distribution and performing likelihood maximization via rejection sampling, we demonstrate that TreeGen outperforms various baselines.


FOSC-X: An Extended Framework for Optimal Local Cuts and Non-Horizontal Cluster Selection from Clustering Hierarchies

arXiv.org Machine Learning

Extracting a flat clustering solution from a hierarchy is a common task in practical cluster analysis and can be formulated as an optimisation problem. Existing approaches focus on finding a single optimal solution. We introduce FOSC-X, a framework for extracting the top-M globally optimal flat clusterings from local, non-horizontal cuts of a hierarchical cluster tree, while optionally enforcing constraints on the number of clusters. This enables automatic identification of multiple high-quality alternative clusterings that capture different aspects of the hierarchical structure. Without constraints, the top-M problem can be solved in polynomial time using dynamic programming, exploiting the property that locally optimal partial candidates within subtrees can be combined to form globally optimal solutions while automatically determining the number of clusters. However, this can lead to solutions with numbers of clusters that are ultimately undesirable -- e.g., too large to be meaningful or practically analysed within a particular application domain. Imposing cluster-count constraints breaks the optimality property underlying the unconstrained dynamic programming approach, since locally optimal partial candidates may no longer combine into feasible globally optimal solutions. FOSC-X addresses this challenge through a dynamic programming strategy that maintains compact sets of feasible candidates using lower and upper feasibility bounds while pruning infeasible or dominated combinations. The resulting method guarantees optimal rankings of the top-M solutions with linear-time complexity in the number of cluster nodes and dataset size, both with and without cluster-count constraints. Experiments show that FOSC-X efficiently reveals alternative clustering structures overlooked by single-solution extraction methods.


PartNeXt: ANext-Generation Dataset for Fine-Grained and Hierarchical 3DPart Understanding

Neural Information Processing Systems

Understanding objects at the level of their constituent parts is fundamental to advancing computer vision, graphics, and robotics. While datasets like PartNet have driven progress in 3D part understanding, their reliance on untextured geometries and expert-dependent annotation limits scalability and usability. We introduce PartNeXt, a next-generation dataset addressing these gaps with over 23,000 highquality, textured 3D models annotated with fine-grained, hierarchical part labels across 50 categories. We benchmark PartNeXt on two tasks: (1) class-agnostic part segmentation, where state-of-the-art methods (e.g., PartField, SAMPart3D) struggle with fine-grained and leaf-level parts, and (2) 3D part-centric question answering, a new benchmark for 3D-LLMs that reveals significant gaps in open-vocabulary part grounding. Additionally, training Point-SAM on PartNeXt yields substantial gains over PartNet, underscoring the dataset's superior quality and diversity.


HEIR: Learning Graph-Based Motion Hierarchies

Neural Information Processing Systems

Hierarchical structures of motion exist across research fields, including computer vision, graphics, and robotics, where complex dynamics typically arise from coordinated interactions among simpler motion components. Existing methods to model such dynamics typically rely on manually-defined or heuristic hierarchies with fixed motion primitives, limiting their generalizability across different tasks. In this work, we propose a general hierarchical motion modeling method that learns structured, interpretable motion relationships directly from data. Our method represents observed motions using graph-based hierarchies, explicitly decomposing global absolute motions into parent-inherited patterns and local motion residuals. We formulate hierarchy inference as a differentiable graph learning problem, where vertices represent elemental motions and directed edges capture learned parentchild dependencies through graph neural networks. We evaluate our hierarchical reconstruction approach on three examples: 1D translational motion, 2D rotational motion, and dynamic 3D scene deformation via Gaussian splatting. Experimental results show that our method reconstructs the intrinsic motion hierarchy in 1D and 2D cases, and produces more realistic and interpretable deformations compared to the baseline on dynamic 3DGaussian splatting scenes. By providing an adaptable, data-driven hierarchical modeling paradigm, our method offers a formulation applicable to a broad range of motion-centric tasks.