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HIDISC: A Hyperbolic Framework for Domain Generalization with Generalized Category Discovery

Neural Information Processing Systems

Generalized Category Discovery (GCD) aims to classify test-time samples into either seen categories--available during training--or novel ones, without relying on label supervision. Most existing GCD methods assume simultaneous access to labeled and unlabeled data during training and arising from the same domain, limiting applicability in open-world scenarios involving distribution shifts. Domain Generalization with GCD (DG-GCD) lifts this constraint by requiring models to generalize to unseen domains containing novel categories, without accessing target-domain data during training. The only prior DG-GCD method, DG$^2$CD-Net~\cite{dg2net}, relies on episodic training with multiple synthetic domains and task vector aggregation, incurring high computational cost and error accumulation. We propose \textsc{HiDISC}, a hyperbolic representation learning framework that achieves domain and category-level generalization without episodic simulation. To expose the model to minimal but diverse domain variations, we augment the source domain using GPT-guided diffusion, avoiding overfitting while maintaining efficiency. To structure the representation space, we introduce \emph{Tangent CutMix}, a curvature-aware interpolation that synthesizes pseudo-novel samples in tangent space, preserving manifold consistency. A unified loss--combining penalized Busemann alignment, hybrid hyperbolic contrastive regularization, and adaptive outlier repulsion--facilitates compact, semantically structured embeddings.


Hold the onions – and see if they make you cry

New Scientist

Feedback could never be a professional chef. That's partly because there is no way we could stand the pressure of such a frantic work environment, to say nothing of the stress of potentially running into Gordon Ramsay. But mostly it's because we would tear up every time we had to chop an onion. The reason some of us cry when we chop onions is a chemical called syn-propanethial-S-oxide, which gets sprayed into the air . It triggers the trigeminal nerve, which, in turn, activates the tear ducts to wash away the irritating chemical.


Dynamic Bundling with Large Language Models for Zero-Shot Inference on Text-Attributed Graphs

Neural Information Processing Systems

Large language models (LLMs) have been used in many zero-shot learning problems, with their strong generalization ability. Recently, adopting LLMs in textattributed graphs (TAGs) has drawn increasing attention. However, the adoption of LLMs faces two major challenges: limited information on graph structure and unreliable responses. LLMs struggle with text attributes isolated from the graph topology. Worse still, they yield unreliable predictions due to both information insufficiency and the inherent weakness of LLMs (e.g., hallucination). Towards this end, this paper proposes a novel method named Dynamic Text Bundling Supervision (DENSE) that queries LLMs with bundles of texts to obtain bundle-level labels and uses these labels to supervise graph neural networks.


collection

Neural Information Processing Systems

A.1 Prompt-Image Sample Curation916 We source the PI dataset from Adversarial Nibbler which is publicly available [37] under the following917 License: "Google LLC licenses this data under a Creative Commons Attribution 4.0 International918 License. Users will be allowed to modify and repost it, and we encourage them to analyse and919 publish research based on the data. The dataset is provided "ASIS" without any warranty, express or920 implied. Google disclaims all liability for any damages, direct or indirect, resulting from the use of921 the dataset." We now provide details about the Adversarial Nibbler dataset. Originally Adversarial922 Nibbler contains over 5000 PI pairs, where the prompts are intended to be implicitly adversarial,923 where the prompts itself are safe and not explicitly harmful, but generate harmful image outcomes924 via T2I models belonging to the family of stable diffusion models, DALL-E models, etc.


FGBench: ADataset and Benchmark for Molecular Property Reasoning at Functional Group-Level in Large Language Models

Neural Information Processing Systems

Large language models (LLMs) have gained significant attention in chemistry. However, most existing datasets center on molecular-level property prediction and overlook the role of fine-grained functional group (FG) information. Incorporating FG-level data can provide valuable prior knowledge that links molecular structures with textual descriptions, which can be used to build more interpretable, structureaware LLMs for reasoning on molecule-related tasks. Moreover, LLMs can learn from such fine-grained information to uncover hidden relationships between specific functional groups and molecular properties, thereby advancing molecular design and drug discovery. Here, we introduce FGBench, a dataset comprising 625K molecular property reasoning problems with functional group information. Functional groups are precisely annotated and localized within the molecule, which ensures the dataset's interoperability, thereby facilitating further multimodal applications. FGBench includes both regression and classification tasks on 245 different functional groups across three categories for molecular property reasoning: (1) single functional group impacts, (2) multiple functional group interactions, and (3) direct molecular comparisons. In the benchmark of state-of-the-art LLMs on 7K curated data, the results indicate that current LLMs struggle with FG-level property reasoning, highlighting the need to enhance reasoning capabilities in LLMs for chemistry tasks. We anticipate that the methodology employed in FGBench to construct datasets with functional group-level information will serve as a foundational framework for generating new question-answer pairs, enabling LLMs to better understand fine-grained molecular structure-property relationships.


ArchCAD-400k: ALarge-Scale CADdrawings Dataset and New Baseline for Panoptic Symbol Spotting

Neural Information Processing Systems

Recognizing symbols in architectural CAD drawings is critical for various advanced engineering applications. In this paper, we propose a novel CAD data annotation engine that leverages intrinsic attributes from systematically archived CAD drawings to automatically generate high-quality annotations, thus significantly reducing manual labeling efforts. Utilizing this engine, we construct ArchCAD-400k, a large-scale CAD dataset consisting of 413,062 chunks from 5538 standardized drawings, making it over 26 times larger than the largest existing CAD dataset. ArchCAD-400k boasts an extended drawing diversity and broader categories, offering line-grained annotations. Furthermore, we present a new baseline model for panoptic symbol spotting, termed Dual-Pathway Symbol Spotter (DPSS). It incorporates an adaptive fusion module to enhance primitive features with complementary image features, achieving state-of-the-art performance and enhanced robustness. Extensive experiments validate the effectiveness of DPSS, demonstrating the value of ArchCAD-400k and its potential to drive innovation in architectural design and construction.


LLMGenerated Persona is a Promise with a Catch

Neural Information Processing Systems

The use of large language models (LLMs) to simulate human behavior has gained significant attention, particularly through personas that approximate individual characteristics. Persona-based simulations hold promise for transforming disciplines that rely on population-level feedback, including social science, economic analysis, marketing research, and business operations. Traditional methods to collect realistic persona data face significant challenges: they are prohibitively expensive and logistically challenging due to privacy constraints, and often fail to capture multi-dimensional attributes, particularly subjective qualities. Consequently, synthetic persona generation with LLMs offers a scalable, cost-effective alternative. However, current approaches rely on ad hoc and heuristic generation techniques that do not guarantee methodological rigor or simulation precision, resulting in systematic biases in downstream tasks. Through extensive large-scale experiments including presidential election forecasts and general opinion surveys of the U.S. population, we reveal that these biases can lead to significant deviations from real-world outcomes. Based on the experimental results, this position paper argues that a rigorous and systematic science of persona generation is needed to ensure the reliability of LLM-driven simulations of human behavior. We call for not only methodological innovations and empirical foundations but also interdisciplinary organizational and institutional support for the development of this field. To support further research and development in this area, we have opensourced approximately one million generated personas, available for public access and analysis at Tianyi-Lab/Personas.


Part-Level Visual Understanding

Neural Information Processing Systems

Real-world objects are composed of distinctive, object-specific parts. Identifying these parts is key to performing fine-grained, compositional reasoning--yet, large multimodal models (LMMs) struggle to perform this seemingly straightforward task. In this work, we introduce PARTONOMY, an LMM benchmark designed for pixel-level part grounding. We construct PARTONOMY from existing part datasets and our own rigorously annotated set of images, encompassing 862 part labels and 534 object labels for evaluation.


Coarse-to-Fine 3DPart Assembly via Semantic Super-Parts and Symmetry-Aware Pose Estimation

Neural Information Processing Systems

We propose a novel two-stage framework, Coarse-to-Fine Part Assembly (CFPA), for 3D shape assembly from basic parts. Effective part assembly demands precise local geometric reasoning for accurate component assembly, as well as global structural understanding to ensure semantic coherence and plausible configurations. CFPA addresses this challenge by integrating semantic abstraction and symmetryaware reasoning into a unified pose prediction process. In the first stage, semantic super-parts are constructed via an optimal transport formulation to capture highlevel object structure, which is then propagated to individual parts through a dualrange feature propagation mechanism. The second stage refines part poses via crossstage feature interaction and instance-level geometric encoding, improving spatial precision and coherence. To enable diverse yet valid assemblies, we introduce a symmetry-aware loss that jointly models both self-symmetry and inter-part geometric similarity, allowing for diverse but structurally consistent assemblies. Extensive experiments on the PartNet benchmark demonstrate that CFPA achieves state-of-the-art performance in assembly accuracy, structural consistency, and diversity across multiple categories. Code is available at https://github.com/


MindGYM: What Matters in Question Synthesis for Thinking-Centric Fine-Tuning?

Neural Information Processing Systems

Large foundation models face challenges in acquiring transferable, structured thinking abilities, especially when supervised with rigid templates or crowd-annotated instruction datasets. Unlike prior approaches, we focus on a thinking-centric data synthesis paradigm that enables models to evolve through self-generated, cognitively guided data. We propose MINDGYM, a structured and scalable framework for question synthesis, composed of: (1) Cognitive Thinking Process Injection, which infuses high-level reasoning objectives to shape the model's synthesis behavior; (2) Seed Single-Hop Question Synthesis, generating atomic questions from diverse semantic types to encourage broader thinking; and (3) Challenging MultiHop QASynthesis, composing more complex multi-hop questions based on QA seeds for deeper reasoning. Detailed analysis shows that synthetic data generated by our method achieves 16.7% higher average quality and 67.91% lower quality variance compared to baseline sources, highlighting that both high-quality and selfcontained data are essential for effective, thinking-oriented finetuning. MINDGYM improves performance on six reasoning benchmarks, achieving gains of up to 16% on MathVision using only 400 data samples, and generalizable improvements across different model sizes and architectures. MINDGYM underscores the viability of self-challenging mechanisms in refining large model capabilities while minimizing human intervention and resource demands. Code and data are released to promote data-centric research into self-evolving foundation models driven by their internal reasoning capabilities.