Panoptic Scene Graph Generation (PSG) aims to segment objects and recognize their relations, enabling the structured understanding of an image. Previous methods focus on predicting predefined object and relation categories, hence limiting their applications in the open world scenarios. With the rapid development of large multimodal models (LMMs), significant progress has been made in open-set object detection and segmentation, yet open-set relation prediction in PSG remains unexplored. In this paper, we focus on the task of open-set relation prediction integrated with a pretrained open-set panoptic segmentation model to achieve true open-set panoptic scene graph generation (OpenPSG). Our OpenPSG leverages LMMs to achieve open-set relation prediction in an autoregressive manner. We introduce a relation query transformer to efficiently extract visual features of object pairs and estimate the existence of relations between them. The latter can enhance the prediction efficiency by filtering irrelevant pairs. Finally, we design the generation and judgement instructions to perform open-set relation prediction in PSG autoregressively. To our knowledge, we are the first to propose the open-set PSG task. Extensive experiments demonstrate that our method achieves state-of-the-art performance in open-set relation prediction and panoptic scene graph generation. Code is available at \url{https://github.com/franciszzj/OpenPSG}.
Generating novel molecules is challenging, with most representations leading to generative models producing many invalid molecules. Spanning Tree-based Graph Generation (STGG) is a promising approach to ensure the generation of valid molecules, outperforming state-of-the-art SMILES and graph diffusion models for unconditional generation. In the real world, we want to be able to generate molecules conditional on one or multiple desired properties rather than unconditionally. Thus, in this work, we extend STGG to multi-property-conditional generation. Our approach, STGG+, incorporates a modern Transformer architecture, random masking of properties during training (enabling conditioning on any subset of properties and classifier-free guidance), an auxiliary property-prediction loss (allowing the model to self-criticize molecules and select the best ones), and other improvements. We show that STGG+ achieves state-of-the-art performance on in-distribution and out-of-distribution conditional generation, and reward maximization.
In panoptic scene graph generation (PSGG), models retrieve interactions between objects in an image which are grounded by panoptic segmentation masks. Previous evaluations on panoptic scene graphs have been subject to an erroneous evaluation protocol where multiple masks for the same object can lead to multiple relation distributions per mask-mask pair. This can be exploited to increase the final score. We correct this flaw and provide a fair ranking over a wide range of existing PSGG models. The observed scores for existing methods increase by up to 7.4 mR@50 for all two-stage methods, while dropping by up to 19.3 mR@50 for all one-stage methods, highlighting the importance of a correct evaluation. Contrary to recent publications, we show that existing two-stage methods are competitive to one-stage methods. Building on this, we introduce the Decoupled SceneFormer (DSFormer), a novel two-stage model that outperforms all existing scene graph models by a large margin of +11 mR@50 and +10 mNgR@50 on the corrected evaluation, thus setting a new SOTA. As a core design principle, DSFormer encodes subject and object masks directly into feature space.
Blood vessel networks, represented as 3D graphs, help predict disease biomarkers, simulate blood flow, and aid in synthetic image generation, relevant in both clinical and pre-clinical settings. However, generating realistic vessel graphs that correspond to an anatomy of interest is challenging. Previous methods aimed at generating vessel trees mostly in an autoregressive style and could not be applied to vessel graphs with cycles such as capillaries or specific anatomical structures such as the Circle of Willis. Addressing this gap, we introduce the first application of \textit{denoising diffusion models} in 3D vessel graph generation. Our contributions include a novel, two-stage generation method that sequentially denoises node coordinates and edges. We experiment with two real-world vessel datasets, consisting of microscopic capillaries and major cerebral vessels, and demonstrate the generalizability of our method for producing diverse, novel, and anatomically plausible vessel graphs.
Temporal reasoning (TR) is a critical component of artificial intelligence, encompassing understanding and processing temporal information and relationships between events. To discover and study the TR ability in Large Language Models (LLMs), various datasets have been constructed in different ways for evaluating various aspects of TR ability. Our work proposes a novel approach to design and develop a pipeline for constructing datasets to evaluate the TR ability of LLMs by leveraging random directed graph generation, LTL formula, and the NuSMV model checker. Based on the pipeline, we have also constructed a dataset as a benchmark, namely LTLBench, consisting of 2,000 TR challenges and evaluated six LLMs with it. Furthermore, we have conducted additional experiments to discover the impact of increasing the number of events and formula operators on the complexity of TR problems and the performance of LLMs. We have demonstrated that although LLMs exhibit some promise in handling TR challenges, they still struggle with complex TR. We expect this work can offer insights into TR ability in LLMs while also providing a valuable tool for future TR evaluations.
Generating event graphs from long documents is challenging due to the inherent complexity of multiple tasks involved such as detecting events, identifying their relationships, and reconciling unstructured input with structured graphs. Recent studies typically consider all events with equal importance, failing to distinguish salient events crucial for understanding narratives. This paper presents CALLMSAE, a CAscading Large Language Model framework for SAlient Event graph generation, which leverages the capabilities of LLMs and eliminates the need for costly human annotations. We first identify salient events by prompting LLMs to generate summaries, from which salient events are identified. Next, we develop an iterative code refinement prompting strategy to generate event relation graphs, removing hallucinated relations and recovering missing edges. Fine-tuning contextualised graph generation models on the LLM-generated graphs outperforms the models trained on CAEVO-generated data. Experimental results on a human-annotated test set show that the proposed method generates salient and more accurate graphs, outperforming competitive baselines.
Graph diffusion models have emerged as state-of-the-art techniques in graph generation; yet, integrating domain knowledge into these models remains challenging. Domain knowledge is particularly important in real-world scenarios, where invalid generated graphs hinder deployment in practical applications. Unconstrained and conditioned graph diffusion models fail to guarantee such domain-specific structural properties. We present ConStruct, a novel framework that enables graph diffusion models to incorporate hard constraints on specific properties, such as planarity or acyclicity. Our approach ensures that the sampled graphs remain within the domain of graphs that satisfy the specified property throughout the entire trajectory in both the forward and reverse processes. This is achieved by introducing an edge-absorbing noise model and a new projector operator. ConStruct demonstrates versatility across several structural and edge-deletion invariant constraints and achieves state-of-the-art performance for both synthetic benchmarks and attributed real-world datasets. For example, by incorporating planarity constraints in digital pathology graph datasets, the proposed method outperforms existing baselines, improving data validity by up to 71.1 percentage points.
Despite the suitability of graphs for capturing the relational structures inherent in architectural layout designs, there is a notable dearth of research on interpreting architectural design space using graph-based representation learning and exploring architectural design graph generation. Concurrently, disentangled representation learning in graph generation faces challenges such as node permutation invariance and representation expressiveness. To address these challenges, we introduce an unsupervised disentangled representation learning framework, Style-based Edge-augmented Variational Graph Auto-Encoder (SE-VGAE), aiming to generate architectural layout in the form of attributed adjacency multi-graphs while prioritizing representation disentanglement. The framework is designed with three alternative pipelines, each integrating a transformer-based edge-augmented encoder, a latent space disentanglement module, and a style-based decoder. These components collectively facilitate the decomposition of latent factors influencing architectural layout graph generation, enhancing generation fidelity and diversity. We also provide insights into optimizing the framework by systematically exploring graph feature augmentation schemes and evaluating their effectiveness for disentangling architectural layout representation through extensive experiments. Additionally, we contribute a new benchmark large-scale architectural layout graph dataset extracted from real-world floor plan images to facilitate the exploration of graph data-based architectural design representation space interpretation. This study pioneered disentangled representation learning for the architectural layout graph generation. The code and dataset of this study will be open-sourced.
Recent progress in Large Language Models (LLMs) and language agents has demonstrated significant promise for various future applications across multiple disciplines. While traditional approaches to language agents often rely on fixed, handcrafted designs, our research aims to develop both learnable and dynamic agents. Our method uses an existing framework that abstracts language agents as graphs. Within this graph framework, we aim to learn a model that can generate edges for every given input to the language agent. This allows us to generate edges that represent the flow of communication within the graph based on the given input, thereby adjusting the internal communication of a language agent. We learn to generate these edges using a pretrained LLM that is fine-tuned with reinforcement learning. This LLM can be fine-tuned on several datasets simultaneously, and we hypothesize that the model learns to adapt to these different domains during training, achieving good overall performance when encountering data from different domains during deployment. We demonstrate that our approach surpasses the previous static approach by nearly 6% accuracy on a combined dataset of MMLU and CMMLU, and by more than 10% when trained with a sparsity-inducing loss. It also performs superior in additional experiments conducted with the MMLU and Mini Crossword Puzzles datasets. The code is available at https://github.com/lukasVierling/DynamicGPTSwarm.
Remote Sensing Large Multi-Modal Models (RSLMMs) are developing rapidly and showcase significant capabilities in remote sensing imagery (RSI) comprehension. However, due to the limitations of existing datasets, RSLMMs have shortcomings in understanding the rich semantic relations among objects in complex remote sensing scenes. To unlock RSLMMs' complex comprehension ability, we propose a large-scale instruction tuning dataset FIT-RS, containing 1,800,851 instruction samples. FIT-RS covers common interpretation tasks and innovatively introduces several complex comprehension tasks of escalating difficulty, ranging from relation reasoning to image-level scene graph generation. Based on FIT-RS, we build the FIT-RSFG benchmark. Furthermore, we establish a new benchmark to evaluate the fine-grained relation comprehension capabilities of LMMs, named FIT-RSRC. Based on combined instruction data, we propose SkySenseGPT, which achieves outstanding performance on both public datasets and FIT-RSFG, surpassing existing RSLMMs. We hope the FIT-RS dataset can enhance the relation comprehension capability of RSLMMs and provide a large-scale fine-grained data source for the remote sensing community. The dataset will be available at https://github.com/Luo-Z13/SkySenseGPT
Diffusion models have excelled in generating natural images and are now being adapted to a variety of data types, including graphs. However, conventional models often rely on Gaussian or categorical diffusion processes, which can struggle to accommodate the mixed discrete and continuous components characteristic of graph data. Graphs typically feature discrete structures and continuous node attributes that often exhibit rich statistical patterns, including sparsity, bounded ranges, skewed distributions, and long-tailed behavior. To address these challenges, we introduce Graph Beta Diffusion (GBD), a generative model specifically designed to handle the diverse nature of graph data. GBD leverages a beta diffusion process, effectively modeling both continuous and discrete elements. Additionally, we propose a modulation technique that enhances the realism of generated graphs by stabilizing critical graph topology while maintaining flexibility for other components. GBD competes strongly with existing models across multiple general and biochemical graph benchmarks, showcasing its ability to capture the intricate balance between discrete and continuous features inherent in real-world graph data. The PyTorch code is available on GitHub.
Scene graph generation (SGG) in satellite imagery (SAI) benefits promoting understanding of geospatial scenarios from perception to cognition. In SAI, objects exhibit great variations in scales and aspect ratios, and there exist rich relationships between objects (even between spatially disjoint objects), which makes it attractive to holistically conduct SGG in large-size very-high-resolution (VHR) SAI. However, there lack such SGG datasets. Due to the complexity of large-size SAI, mining triplets <subject, relationship, object> heavily relies on long-range contextual reasoning. Consequently, SGG models designed for small-size natural imagery are not directly applicable to large-size SAI. This paper constructs a large-scale dataset for SGG in large-size VHR SAI with image sizes ranging from 512 x 768 to 27,860 x 31,096 pixels, named STAR (Scene graph generaTion in lArge-size satellite imageRy), encompassing over 210K objects and over 400K triplets. To realize SGG in large-size SAI, we propose a context-aware cascade cognition (CAC) framework to understand SAI regarding object detection (OBD), pair pruning and relationship prediction for SGG. We also release a SAI-oriented SGG toolkit with about 30 OBD and 10 SGG methods which need further adaptation by our devised modules on our challenging STAR dataset. The dataset and toolkit are available at: https://linlin-dev.github.io/project/STAR.
Causality is essential for understanding complex systems, such as the economy, the brain, and the climate. Constructing causal graphs often relies on either data-driven or expert-driven approaches, both fraught with challenges. The former methods, like the celebrated PC algorithm, face issues with data requirements and assumptions of causal sufficiency, while the latter demand substantial time and domain knowledge. This work explores the capabilities of Large Language Models (LLMs) as an alternative to domain experts for causal graph generation. We frame conditional independence queries as prompts to LLMs and employ the PC algorithm with the answers. The performance of the LLM-based conditional independence oracle on systems with known causal graphs shows a high degree of variability. We improve the performance through a proposed statistical-inspired voting schema that allows some control over false-positive and false-negative rates. Inspecting the chain-of-thought argumentation, we find causal reasoning to justify its answer to a probabilistic query. We show evidence that knowledge-based CIT could eventually become a complementary tool for data-driven causal discovery.
Graph structures offer a versatile framework for representing diverse patterns in nature and complex systems, applicable across domains like molecular chemistry, social networks, and transportation systems. While diffusion models have excelled in generating various objects, generating graphs remains challenging. This thesis explores the potential of score-based generative models in generating such objects through a modelization as combinatorial complexes, which are powerful topological structures that encompass higher-order relationships. In this thesis, we propose a unified framework by employing stochastic differential equations. We not only generalize the generation of complex objects such as graphs and hypergraphs, but we also unify existing generative modelling approaches such as Score Matching with Langevin dynamics and Denoising Diffusion Probabilistic Models. This innovation overcomes limitations in existing frameworks that focus solely on graph generation, opening up new possibilities in generative AI. The experiment results showed that our framework could generate these complex objects, and could also compete against state-of-the-art approaches for mere graph and molecule generation tasks.
Scene Graph Generation (SGG) aims to identify entities and predict the relationship triplets \textit{\textless subject, predicate, object\textgreater } in visual scenes. Given the prevalence of large visual variations of subject-object pairs even in the same predicate, it can be quite challenging to model and refine predicate representations directly across such pairs, which is however a common strategy adopted by most existing SGG methods. We observe that visual variations within the identical triplet are relatively small and certain relation cues are shared in the same type of triplet, which can potentially facilitate the relation learning in SGG. Moreover, for the long-tail problem widely studied in SGG task, it is also crucial to deal with the limited types and quantity of triplets in tail predicates. Accordingly, in this paper, we propose a Dual-granularity Relation Modeling (DRM) network to leverage fine-grained triplet cues besides the coarse-grained predicate ones. DRM utilizes contexts and semantics of predicate and triplet with Dual-granularity Constraints, generating compact and balanced representations from two perspectives to facilitate relation recognition. Furthermore, a Dual-granularity Knowledge Transfer (DKT) strategy is introduced to transfer variation from head predicates/triplets to tail ones, aiming to enrich the pattern diversity of tail classes to alleviate the long-tail problem. Extensive experiments demonstrate the effectiveness of our method, which establishes new state-of-the-art performance on Visual Genome, Open Image, and GQA datasets. Our code is available at \url{https://github.com/jkli1998/DRM}
Graph diffusion models, dominant in graph generative modeling, remain underexplored for graph-to-graph translation tasks like chemical reaction prediction. We demonstrate that standard permutation equivariant denoisers face fundamental limitations in these tasks due to their inability to break symmetries in noisy inputs. To address this, we propose aligning input and target graphs to break input symmetries while preserving permutation equivariance in non-matching graph portions. Using retrosynthesis (i.e., the task of predicting precursors for synthesis of a given target molecule) as our application domain, we show how alignment dramatically improves discrete diffusion model performance from 5% to a SOTA-matching 54.7% top-1 accuracy. Code is available at https://github.com/Aalto-QuML/DiffAlign.
Scene Graph Generation (SGG) is a task that encodes visual relationships between objects in images as graph structures. SGG shows significant promise as a foundational component for downstream tasks, such as reasoning for embodied agents. To enable real-time applications, SGG must address the trade-off between performance and inference speed. However, current methods tend to focus on one of the following: (1) improving relation prediction accuracy, (2) enhancing object detection accuracy, or (3) reducing latency, without aiming to balance all three objectives simultaneously. To address this limitation, we propose a novel architecture, inference method, and relation prediction model. Our proposed solution, the REACT model, achieves the highest inference speed among existing SGG models, improving object detection accuracy without sacrificing relation prediction performance. Compared to state-of-the-art approaches, REACT is 2.7 times faster (with a latency of 23 ms) and improves object detection accuracy by 58.51%. Furthermore, our proposal significantly reduces model size, with an average of 5.5x fewer parameters. Code is available at https://github.com/Maelic/SGG-Benchmark
Dynamic Scene Graph Generation (DSGG) focuses on identifying visual relationships within the spatial-temporal domain of videos. Conventional approaches often employ multi-stage pipelines, which typically consist of object detection, temporal association, and multi-relation classification. However, these methods exhibit inherent limitations due to the separation of multiple stages, and independent optimization of these sub-problems may yield sub-optimal solutions. To remedy these limitations, we propose a one-stage end-to-end framework, termed OED, which streamlines the DSGG pipeline. This framework reformulates the task as a set prediction problem and leverages pair-wise features to represent each subject-object pair within the scene graph. Moreover, another challenge of DSGG is capturing temporal dependencies, we introduce a Progressively Refined Module (PRM) for aggregating temporal context without the constraints of additional trackers or handcrafted trajectories, enabling end-to-end optimization of the network. Extensive experiments conducted on the Action Genome benchmark demonstrate the effectiveness of our design. The code and models are available at \url{https://github.com/guanw-pku/OED}.
Graph is a prevalent discrete data structure, whose generation has wide applications such as drug discovery and circuit design. Diffusion generative models, as an emerging research focus, have been applied to graph generation tasks. Overall, according to the space of states and time steps, diffusion generative models can be categorized into discrete-/continuous-state discrete-/continuous-time fashions. In this paper, we formulate the graph diffusion generation in a discrete-state continuous-time setting, which has never been studied in previous graph diffusion models. The rationale of such a formulation is to preserve the discrete nature of graph-structured data and meanwhile provide flexible sampling trade-offs between sample quality and efficiency. Analysis shows that our training objective is closely related to generation quality, and our proposed generation framework enjoys ideal invariant/equivariant properties concerning the permutation of node ordering. Our proposed model shows competitive empirical performance against state-of-the-art graph generation solutions on various benchmarks and, at the same time, can flexibly trade off the generation quality and efficiency in the sampling phase.
We are living in a three-dimensional space while moving forward through a fourth dimension: time. To allow artificial intelligence to develop a comprehensive understanding of such a 4D environment, we introduce 4D Panoptic Scene Graph (PSG-4D), a new representation that bridges the raw visual data perceived in a dynamic 4D world and high-level visual understanding. Specifically, PSG-4D abstracts rich 4D sensory data into nodes, which represent entities with precise location and status information, and edges, which capture the temporal relations. To facilitate research in this new area, we build a richly annotated PSG-4D dataset consisting of 3K RGB-D videos with a total of 1M frames, each of which is labeled with 4D panoptic segmentation masks as well as fine-grained, dynamic scene graphs. To solve PSG-4D, we propose PSG4DFormer, a Transformer-based model that can predict panoptic segmentation masks, track masks along the time axis, and generate the corresponding scene graphs via a relation component. Extensive experiments on the new dataset show that our method can serve as a strong baseline for future research on PSG-4D. In the end, we provide a real-world application example to demonstrate how we can achieve dynamic scene understanding by integrating a large language model into our PSG-4D system.