Hierarchical Contextual Manifold Alignment for Structuring Latent Representations in Large Language Models

The organization of latent token representations plays a crucial role in determining the stability, generalization, and contextual consistency of language models, yet conventional approaches to embedding refinement often rely on parameter modifications that introduce additional computational overhead. A hierarchical alignment method was introduced to restructure token embeddings without altering core model weights, ensuring that representational distributions maintained coherence across different linguistic contexts. Experimental evaluations demonstrated improvements in rare token retrieval, adversarial robustness, and long-range dependency tracking, highlighting the advantages of hierarchical structuring in mitigating inconsistencies in latent space organization. The comparative analysis against conventional fine-tuning and embedding perturbation methods revealed that hierarchical restructuring maintained computational efficiency while achieving measurable gains in representation quality. Structural refinements introduced through the alignment process resulted in improved contextual stability across varied linguistic tasks, reducing inconsistencies in token proximity relationships and enhancing interpretability in language generation. A detailed computational assessment confirmed that the realignment process introduced minimal inference overhead, ensuring that representational improvements did not compromise model efficiency. The findings reinforced the broader significance of structured representation learning, illustrating that hierarchical embedding modifications could serve as an effective strategy for refining latent space distributions while preserving pre-learned semantic associations.

Issues with Neural Tangent Kernel Approach to Neural Networks

Neural tangent kernels (NTKs) have been proposed to study the behavior of trained neural networks from the perspective of Gaussian processes. An important result in this body of work is the theorem of equivalence between a trained neural network and kernel regression with the corresponding NTK. This theorem allows for an interpretation of neural networks as special cases of kernel regression. However, does this theorem of equivalence hold in practice? In this paper, we revisit the derivation of the NTK rigorously and conduct numerical experiments to evaluate this equivalence theorem. We observe that adding a layer to a neural network and the corresponding updated NTK do not yield matching changes in the predictor error. Furthermore, we observe that kernel regression with a Gaussian process kernel in the literature that does not account for neural network training produces prediction errors very close to that of kernel regression with NTKs. These observations suggest the equivalence theorem does not hold well in practice and puts into question whether neural tangent kernels adequately address the training process of neural networks.

Learning Disentangled Equivariant Representation for Explicitly Controllable 3D Molecule Generation

We consider the conditional generation of 3D drug-like molecules with \textit{explicit control} over molecular properties such as drug-like properties (e.g., Quantitative Estimate of Druglikeness or Synthetic Accessibility score) and effectively binding to specific protein sites. To tackle this problem, we propose an E(3)-equivariant Wasserstein autoencoder and factorize the latent space of our generative model into two disentangled aspects: molecular properties and the remaining structural context of 3D molecules. Our model ensures explicit control over these molecular attributes while maintaining equivariance of coordinate representation and invariance of data likelihood. Furthermore, we introduce a novel alignment-based coordinate loss to adapt equivariant networks for auto-regressive de-novo 3D molecule generation from scratch. Extensive experiments validate our model's effectiveness on property-guided and context-guided molecule generation, both for de-novo 3D molecule design and structure-based drug discovery against protein targets.

Uni-NaVid: A Video-based Vision-Language-Action Model for Unifying Embodied Navigation Tasks

A practical navigation agent must be capable of handling a wide range of interaction demands, such as following instructions, searching objects, answering questions, tracking people, and more. Existing models for embodied navigation fall short of serving as practical generalists in the real world, as they are often constrained by specific task configurations or pre-defined maps with discretized waypoints. In this work, we present Uni-NaVid, the first video-based vision-language-action (VLA) model designed to unify diverse embodied navigation tasks and enable seamless navigation for mixed long-horizon tasks in unseen real-world environments. Uni-NaVid achieves this by harmonizing the input and output data configurations for all commonly used embodied navigation tasks and thereby integrating all tasks in one model. For training Uni-NaVid, we collect 3.6 million navigation data samples in total from four essential navigation sub-tasks and foster synergy in learning across them. Extensive experiments on comprehensive navigation benchmarks clearly demonstrate the advantages of unification modeling in Uni-NaVid and show it achieves state-of-the-art performance. Additionally, real-world experiments confirm the model's effectiveness and efficiency, shedding light on its strong generalizability.

DexGraspNet 2.0: Learning Generative Dexterous Grasping in Large-scale Synthetic Cluttered Scenes

Grasping in cluttered scenes remains highly challenging for dexterous hands due to the scarcity of data. To address this problem, we present a large-scale synthetic benchmark, encompassing 1319 objects, 8270 scenes, and 427 million grasps. Beyond benchmarking, we also propose a novel two-stage grasping method that learns efficiently from data by using a diffusion model that conditions on local geometry. Our proposed generative method outperforms all baselines in simulation experiments. Furthermore, with the aid of test-time-depth restoration, our method demonstrates zero-shot sim-to-real transfer, attaining 90.7% real-world dexterous grasping success rate in cluttered scenes.

Random-coupled Neural Network

Improving the efficiency of current neural networks and modeling them in biological neural systems have become popular research directions in recent years. Pulse-coupled neural network (PCNN) is a well applicated model for imitating the computation characteristics of the human brain in computer vision and neural network fields. However, differences between the PCNN and biological neural systems remain: limited neural connection, high computational cost, and lack of stochastic property. In this study, random-coupled neural network (RCNN) is proposed. It overcomes these difficulties in PCNN's neuromorphic computing via a random inactivation process. This process randomly closes some neural connections in the RCNN model, realized by the random inactivation weight matrix of link input. This releases the computational burden of PCNN, making it affordable to achieve vast neural connections. Furthermore, the image and video processing mechanisms of RCNN are researched. It encodes constant stimuli as periodic spike trains and periodic stimuli as chaotic spike trains, the same as biological neural information encoding characteristics. Finally, the RCNN is applicated to image segmentation, fusion, and pulse shape discrimination subtasks. It is demonstrated to be robust, efficient, and highly anti-noised, with outstanding performance in all applications mentioned above.

KG-Rank: Enhancing Large Language Models for Medical QA with Knowledge Graphs and Ranking Techniques

Large Language Models (LLMs) have significantly advanced healthcare innovation on generation capabilities. However, their application in real clinical settings is challenging due to potential deviations from medical facts and inherent biases. In this work, we develop an augmented LLM framework, KG-Rank, which leverages a medical knowledge graph (KG) with ranking and re-ranking techniques, aiming to improve free-text question-answering (QA) in the medical domain. Specifically, upon receiving a question, we initially retrieve triplets from a medical KG to gather factual information. Subsequently, we innovatively apply ranking methods to refine the ordering of these triplets, aiming to yield more precise answers. To the best of our knowledge, KG-Rank is the first application of ranking models combined with KG in medical QA specifically for generating long answers. Evaluation of four selected medical QA datasets shows that KG-Rank achieves an improvement of over 18% in the ROUGE-L score. Moreover, we extend KG-Rank to open domains, where it realizes a 14% improvement in ROUGE-L, showing the effectiveness and potential of KG-Rank.

Everything Perturbed All at Once: Enabling Differentiable Graph Attacks

As powerful tools for representation learning on graphs, graph neural networks (GNNs) have played an important role in applications including social networks, recommendation systems, and online web services. However, GNNs have been shown to be vulnerable to adversarial attacks, which can significantly degrade their effectiveness. Recent state-of-the-art approaches in adversarial attacks rely on gradient-based meta-learning to selectively perturb a single edge with the highest attack score until they reach the budget constraint. While effective in identifying vulnerable links, these methods are plagued by high computational costs. By leveraging continuous relaxation and parameterization of the graph structure, we propose a novel attack method called Differentiable Graph Attack (DGA) to efficiently generate effective attacks and meanwhile eliminate the need for costly retraining. Compared to the state-of-the-art, DGA achieves nearly equivalent attack performance with 6 times less training time and 11 times smaller GPU memory footprint on different benchmark datasets. Additionally, we provide extensive experimental analyses of the transferability of the DGA among different graph models, as well as its robustness against widely-used defense mechanisms.

Pulse shape discrimination based on the Tempotron: a powerful classifier on GPU

This study introduces the Tempotron, a powerful classifier based on a third-generation neural network model, for pulse shape discrimination. By eliminating the need for manual feature extraction, the Tempotron model can process pulse signals directly, generating discrimination results based on learned prior knowledge. The study performed experiments using GPU acceleration, resulting in over a 500 times speedup compared to the CPU-based model, and investigated the impact of noise augmentation on the Tempotron's performance. Experimental results showed that the Tempotron is a potent classifier capable of achieving high discrimination accuracy. Furthermore, analyzing the neural activity of Tempotron during training shed light on its learning characteristics and aided in selecting the Tempotron's hyperparameters. The dataset used in this study and the source code of the GPU-based Tempotron are publicly available on GitHub at https://github.com/HaoranLiu507/TempotronGPU.

Delving into Discrete Normalizing Flows on SO Manifold for Probabilistic Rotation Modeling

Normalizing flows (NFs) provide a powerful tool to construct an expressive distribution by a sequence of trackable transformations of a base distribution and form a probabilistic model of underlying data. Rotation, as an important quantity in computer vision, graphics, and robotics, can exhibit many ambiguities when occlusion and symmetry occur and thus demands such probabilistic models. Though much progress has been made for NFs in Euclidean space, there are no effective normalizing flows without discontinuity or many-to-one mapping tailored for SO(3) manifold. Given the unique non-Euclidean properties of the rotation manifold, adapting the existing NFs to SO(3) manifold is non-trivial. In this paper, we propose a novel normalizing flow on SO(3) by combining a Mobius transformation-based coupling layer and a quaternion affine transformation. With our proposed rotation normalizing flows, one can not only effectively express arbitrary distributions on SO(3), but also conditionally build the target distribution given input observations. Extensive experiments show that our rotation normalizing flows significantly outperform the baselines on both unconditional and conditional tasks.