NeuroLifting: Neural Inference on Markov Random Fields at Scale

Inference in large-scale Markov Random Fields (MRFs) is a critical yet challenging task, traditionally approached through approximate methods like belief propagation and mean field, or exact methods such as the Toulbar2 solver. These strategies often fail to strike an optimal balance between efficiency and solution quality, particularly as the problem scale increases. This paper introduces NeuroLifting, a novel technique that leverages Graph Neural Networks (GNNs) to reparameterize decision variables in MRFs, facilitating the use of standard gradient descent optimization. By extending traditional lifting techniques into a non-parametric neural network framework, NeuroLifting benefits from the smooth loss landscape of neural networks, enabling efficient and parallelizable optimization. Empirical results demonstrate that, on moderate scales, NeuroLifting performs very close to the exact solver Toulbar2 in terms of solution quality, significantly surpassing existing approximate methods. Notably, on large-scale MRFs, NeuroLifting delivers superior solution quality against all baselines, as well as exhibiting linear computational complexity growth. This work presents a significant advancement in MRF inference, offering a scalable and effective solution for large-scale problems.

Rethinking the "Heatmap + Monte Carlo Tree Search" Paradigm for Solving Large Scale TSP

The Travelling Salesman Problem (TSP) remains a fundamental challenge in combinatorial optimization, inspiring diverse algorithmic strategies. This paper revisits the "heatmap + Monte Carlo Tree Search (MCTS)" paradigm that has recently gained traction for learning-based TSP solutions. Within this framework, heatmaps encode the likelihood of edges forming part of the optimal tour, and MCTS refines this probabilistic guidance to discover optimal solutions. Contemporary approaches have predominantly emphasized the refinement of heatmap generation through sophisticated learning models, inadvertently sidelining the critical role of MCTS. Our extensive empirical analysis reveals two pivotal insights: 1) The configuration of MCTS strategies profoundly influences the solution quality, demanding meticulous tuning to leverage their full potential; 2) Our findings demonstrate that a rudimentary and parameter-free heatmap, derived from the intrinsic $k$-nearest nature of TSP, can rival or even surpass the performance of complicated heatmaps, with strong generalizability across various scales. Empirical evaluations across various TSP scales underscore the efficacy of our approach, achieving competitive results. These observations challenge the prevailing focus on heatmap sophistication, advocating a reevaluation of the paradigm to harness both components synergistically. Our code is available at: https://github.com/LOGO-CUHKSZ/rethink_mcts_tsp.

Enhancing Graph Self-Supervised Learning with Graph Interplay

Graph self-supervised learning (GSSL) has emerged as a compelling framework for extracting informative representations from graph-structured data without extensive reliance on labeled inputs. In this study, we introduce Graph Interplay (GIP), an innovative and versatile approach that significantly enhances the performance equipped with various existing GSSL methods. To this end, GIP advocates direct graph-level communications by introducing random inter-graph edges within standard batches. Against GIP's simplicity, we further theoretically show that \textsc{GIP} essentially performs a principled manifold separation via combining inter-graph message passing and GSSL, bringing about more structured embedding manifolds and thus benefits a series of downstream tasks. Our empirical study demonstrates that GIP surpasses the performance of prevailing GSSL methods across multiple benchmarks by significant margins, highlighting its potential as a breakthrough approach. Besides, GIP can be readily integrated into a series of GSSL methods and consistently offers additional performance gain. This advancement not only amplifies the capability of GSSL but also potentially sets the stage for a novel graph learning paradigm in a broader sense.

Towards Robust Multimodal Sentiment Analysis with Incomplete Data

The field of Multimodal Sentiment Analysis (MSA) has recently witnessed an emerging direction seeking to tackle the issue of data incompleteness. Recognizing that the language modality typically contains dense sentiment information, we consider it as the dominant modality and present an innovative Language-dominated Noise-resistant Learning Network (LNLN) to achieve robust MSA. The proposed LNLN features a dominant modality correction (DMC) module and dominant modality based multimodal learning (DMML) module, which enhances the model's robustness across various noise scenarios by ensuring the quality of dominant modality representations. Aside from the methodical design, we perform comprehensive experiments under random data missing scenarios, utilizing diverse and meaningful settings on several popular datasets (\textit{e.g.,} MOSI, MOSEI, and SIMS), providing additional uniformity, transparency, and fairness compared to existing evaluations in the literature. Empirically, LNLN consistently outperforms existing baselines, demonstrating superior performance across these challenging and extensive evaluation metrics.

Generating Physical Dynamics under Priors

Generating physically feasible dynamics in a data-driven context is challenging, especially when adhering to physical priors expressed in specific equations or formulas. Existing methodologies often overlook the integration of physical priors, resulting in violation of basic physical laws and suboptimal performance. In this paper, we introduce a novel framework that seamlessly incorporates physical priors into diffusion-based generative models to address this limitation. Our approach leverages two categories of priors: 1) distributional priors, such as roto-translational invariance, and 2) physical feasibility priors, including energy and momentum conservation laws and PDE constraints. By embedding these priors into the generative process, our method can efficiently generate physically realistic dynamics, encompassing trajectories and flows. Empirical evaluations demonstrate that our method produces high-quality dynamics across a diverse array of physical phenomena with remarkable robustness, underscoring its potential to advance data-driven studies in AI4Physics. Our contributions signify a substantial advancement in the field of generative modeling, offering a robust solution to generate accurate and physically consistent dynamics.

PGNeXt: High-Resolution Salient Object Detection via Pyramid Grafting Network

We present an advanced study on more challenging high-resolution salient object detection (HRSOD) from both dataset and network framework perspectives. To compensate for the lack of HRSOD dataset, we thoughtfully collect a large-scale high resolution salient object detection dataset, called UHRSD, containing 5,920 images from real-world complex scenarios at 4K-8K resolutions. All the images are finely annotated in pixel-level, far exceeding previous low-resolution SOD datasets. Aiming at overcoming the contradiction between the sampling depth and the receptive field size in the past methods, we propose a novel one-stage framework for HR-SOD task using pyramid grafting mechanism. In general, transformer-based and CNN-based backbones are adopted to extract features from different resolution images independently and then these features are grafted from transformer branch to CNN branch. An attention-based Cross-Model Grafting Module (CMGM) is proposed to enable CNN branch to combine broken detailed information more holistically, guided by different source feature during decoding process. Moreover, we design an Attention Guided Loss (AGL) to explicitly supervise the attention matrix generated by CMGM to help the network better interact with the attention from different branches. Comprehensive experiments on UHRSD and widely-used SOD datasets demonstrate that our method can simultaneously locate salient object and preserve rich details, outperforming state-of-the-art methods. To verify the generalization ability of the proposed framework, we apply it to the camouflaged object detection (COD) task. Notably, our method performs superior to most state-of-the-art COD methods without bells and whistles.

Do spectral cues matter in contrast-based graph self-supervised learning?

The recent surge in contrast-based graph self-supervised learning has prominently featured an intensified exploration of spectral cues. However, an intriguing paradox emerges, as methods grounded in seemingly conflicting assumptions or heuristic approaches regarding the spectral domain demonstrate notable enhancements in learning performance. This paradox prompts a critical inquiry into the genuine contribution of spectral information to contrast-based graph self-supervised learning. This study undertakes an extensive investigation into this inquiry, conducting a thorough study of the relationship between spectral characteristics and the learning outcomes of contemporary methodologies. Based on this analysis, we claim that the effectiveness and significance of spectral information need to be questioned. Instead, we revisit simple edge perturbation: random edge dropping designed for node-level self-supervised learning and random edge adding intended for graph-level self-supervised learning. Compelling evidence is presented that these simple yet effective strategies consistently yield superior performance while demanding significantly fewer computational resources compared to all prior spectral augmentation methods. The proposed insights represent a significant leap forward in the field, potentially reshaping the understanding and implementation of graph self-supervised learning.

Boosting Protein Language Models with Negative Sample Mining

We introduce a pioneering methodology for boosting large language models in the domain of protein representation learning. Our primary contribution lies in the refinement process for correlating the over-reliance on co-evolution knowledge, in a way that networks are trained to distill invaluable insights from negative samples, constituted by protein pairs sourced from disparate categories. By capitalizing on this novel approach, our technique steers the training of transformer-based models within the attention score space. This advanced strategy not only amplifies performance but also reflects the nuanced biological behaviors exhibited by proteins, offering aligned evidence with traditional biological mechanisms such as protein-protein interaction. We experimentally observed improved performance on various tasks over datasets, on top of several well-established large protein models. This innovative paradigm opens up promising horizons for further progress in the realms of protein research and computational biology.

On Diffusion Process in SE-invariant Space

Sampling viable 3D structures (e.g., molecules and point clouds) with SE(3)-invariance using diffusion-based models proved promising in a variety of real-world applications, wherein SE(3)-invariant properties can be naturally characterized by the inter-point distance manifold. However, due to the non-trivial geometry, we still lack a comprehensive understanding of the diffusion mechanism within such SE(3)-invariant space. This study addresses this gap by mathematically delineating the diffusion mechanism under SE(3)-invariance, via zooming into the interaction behavior between coordinates and the inter-point distance manifold through the lens of differential geometry. Upon this analysis, we propose accurate and projection-free diffusion SDE and ODE accordingly. Such formulations enable enhancing the performance and the speed of generation pathways; meanwhile offering valuable insights into other systems incorporating SE(3)-invariance.

Graph Learning with Distributional Edge Layouts

Graph Neural Networks (GNNs) learn from graph-structured data by passing local messages between neighboring nodes along edges on certain topological layouts. Typically, these topological layouts in modern GNNs are deterministically computed (e.g., attention-based GNNs) or locally sampled (e.g., GraphSage) under heuristic assumptions. In this paper, we for the first time pose that these layouts can be globally sampled via Langevin dynamics following Boltzmann distribution equipped with explicit physical energy, leading to higher feasibility in the physical world. We argue that such a collection of sampled/optimized layouts can capture the wide energy distribution and bring extra expressivity on top of WL-test, therefore easing downstream tasks. As such, we propose Distributional Edge Layouts (DELs) to serve as a complement to a variety of GNNs. DEL is a pre-processing strategy independent of subsequent GNN variants, thus being highly flexible. Experimental results demonstrate that DELs consistently and substantially improve a series of GNN baselines, achieving state-of-the-art performance on multiple datasets.