In this research, we introduce an algorithm that produces what appears to be a new mathematical object as a consequence of projecting the \( n \)-dimensional \( Z \)-curve onto an \( n \)-dimensional sphere. The first part presents the algorithm that enables this transformation, and the second part focuses on studying its properties.
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Many query-based approaches for 3D Multi-Object Tracking (MOT) adopt the tracking-by-attention paradigm, utilizing track queries for identity-consistent detection and object queries for identity-agnostic track spawning. Tracking-by-attention, however, entangles detection and tracking queries in one embedding for both the detection and tracking task, which is sub-optimal. Other approaches resemble the tracking-by-detection paradigm and detect objects using decoupled track and detection queries followed by a subsequent association. These methods, however, do not leverage synergies between the detection and association task. Combining the strengths of both paradigms, we introduce ADA-Track++, a novel end-to-end framework for 3D MOT from multi-view cameras. We introduce a learnable data association module based on edge-augmented cross-attention, leveraging appearance and geometric features. We also propose an auxiliary token in this attention-based association module, which helps mitigate disproportionately high attention to incorrect association targets caused by attention normalization. Furthermore, we integrate this association module into the decoder layer of a DETR-based 3D detector, enabling simultaneous DETR-like query-to-image cross-attention for detection and query-to-query cross-attention for data association. By stacking these decoder layers, queries are refined for the detection and association task alternately, effectively harnessing the task dependencies. We evaluate our method on the nuScenes dataset and demonstrate the advantage of our approach compared to the two previous paradigms.
Efficient algorithms for solving the Smallest Enclosing Sphere (SES) problem, such as Welzl's algorithm, often fail to handle degenerate subsets of points in 3D space. Degeneracies and ill-posed configurations present significant challenges, leading to failures in convergence, inaccuracies or increased computational cost in such cases. Existing improvements to these algorithms, while addressing some of these issues, are either computationally expensive or only partially effective. In this paper, we propose a hybrid algorithm designed to mitigate degeneracy while maintaining an overall computational complexity of $O(N)$. By combining robust preprocessing steps with efficient core computations, our approach avoids the pitfalls of degeneracy without sacrificing scalability. The proposed method is validated through theoretical analysis and experimental results, demonstrating its efficacy in addressing degenerate configurations and achieving high efficiency in practice.
Motivated by industrial computed tomography, we propose a memory efficient strategy to estimate the regularization hyperparameter of a non-smooth variational model. The approach is based on a combination of FISTA and Condat-Vu algorithms exploiting the convergence rate of the former and the low per-iteration complexity of the latter. The estimation is cast as a bilevel learning problem where a first-order method is obtained via reduced-memory automatic differentiation to compute the derivatives. The method is validated with experimental industrial tomographic data with the numerical implementation available.
Methods of computational quantum chemistry provide accurate approximations of molecular properties crucial for computer-aided drug discovery and other areas of chemical science. However, high computational complexity limits the scalability of their applications. Neural network potentials (NNPs) are a promising alternative to quantum chemistry methods, but they require large and diverse datasets for training. This work presents a new dataset and benchmark called $\nabla^2$DFT that is based on the nablaDFT. It contains twice as much molecular structures, three times more conformations, new data types and tasks, and state-of-the-art models. The dataset includes energies, forces, 17 molecular properties, Hamiltonian and overlap matrices, and a wavefunction object. All calculations were performed at the DFT level ($\omega$B97X-D/def2-SVP) for each conformation. Moreover, $\nabla^2$DFT is the first dataset that contains relaxation trajectories for a substantial number of drug-like molecules. We also introduce a novel benchmark for evaluating NNPs in molecular property prediction, Hamiltonian prediction, and conformational optimization tasks. Finally, we propose an extendable framework for training NNPs and implement 10 models within it.
Despite multimodal sentiment analysis being a fertile research ground that merits further investigation, current approaches take up high annotation cost and suffer from label ambiguity, non-amicable to high-quality labeled data acquisition. Furthermore, choosing the right interactions is essential because the significance of intra- or inter-modal interactions can differ among various samples. To this end, we propose Semi-IIN, a Semi-supervised Intra-inter modal Interaction learning Network for multimodal sentiment analysis. Semi-IIN integrates masked attention and gating mechanisms, enabling effective dynamic selection after independently capturing intra- and inter-modal interactive information. Combined with the self-training approach, Semi-IIN fully utilizes the knowledge learned from unlabeled data. Experimental results on two public datasets, MOSI and MOSEI, demonstrate the effectiveness of Semi-IIN, establishing a new state-of-the-art on several metrics. Code is available at //github.com/flow-ljh/Semi-IIN.
In this work we study the behavior of the forward-backward (FB) algorithm when the proximity operator is replaced by a sub-iterative procedure to approximate a Gaussian denoiser, in a Plug-and-Play (PnP) fashion. In particular, we consider both analysis and synthesis Gaussian denoisers within a dictionary framework, obtained by unrolling dual-FB iterations or FB iterations, respectively. We analyze the associated minimization problems as well as the asymptotic behavior of the resulting FB-PnP iterations. In particular, we show that the synthesis Gaussian denoising problem can be viewed as a proximity operator. For each case, analysis and synthesis, we show that the FB-PnP algorithms solve the same problem whether we use only one or an infinite number of sub-iteration to solve the denoising problem at each iteration. To this aim, we show that each "one sub-iteration" strategy within the FB-PnP can be interpreted as a primal-dual algorithm when a warm-restart strategy is used. We further present similar results when using a Moreau-Yosida smoothing of the global problem, for an arbitrary number of sub-iterations. Finally, we provide numerical simulations to illustrate our theoretical results. In particular we first consider a toy compressive sensing example, as well as an image restoration problem in a deep dictionary framework.
Recently, designing neural solvers for large-scale linear systems of equations has emerged as a promising approach in scientific and engineering computing. This paper first introduce the Richardson(m) neural solver by employing a meta network to predict the weights of the long-step Richardson iterative method. Next, by incorporating momentum and preconditioning techniques, we further enhance convergence. Numerical experiments on anisotropic second-order elliptic equations demonstrate that these new solvers achieve faster convergence and lower computational complexity compared to both the Chebyshev iterative method with optimal weights and the Chebyshev semi-iteration method. To address the strong dependence of the aforementioned single-level neural solvers on PDE parameters and grid size, we integrate them with two multilevel neural solvers developed in recent years. Using alternating optimization techniques, we construct Richardson(m)-FNS for anisotropic equations and NAG-Richardson(m)-WANS for the Helmholtz equation. Numerical experiments show that these two multilevel neural solvers effectively overcome the drawback of single-level methods, providing better robustness and computational efficiency.
Transformers have a potential of learning longer-term dependency, but are limited by a fixed-length context in the setting of language modeling. We propose a novel neural architecture Transformer-XL that enables learning dependency beyond a fixed length without disrupting temporal coherence. It consists of a segment-level recurrence mechanism and a novel positional encoding scheme. Our method not only enables capturing longer-term dependency, but also resolves the context fragmentation problem. As a result, Transformer-XL learns dependency that is 80% longer than RNNs and 450% longer than vanilla Transformers, achieves better performance on both short and long sequences, and is up to 1,800+ times faster than vanilla Transformers during evaluation. Notably, we improve the state-of-the-art results of bpc/perplexity to 0.99 on enwiki8, 1.08 on text8, 18.3 on WikiText-103, 21.8 on One Billion Word, and 54.5 on Penn Treebank (without finetuning). When trained only on WikiText-103, Transformer-XL manages to generate reasonably coherent, novel text articles with thousands of tokens. Our code, pretrained models, and hyperparameters are available in both Tensorflow and PyTorch.
We introduce a multi-task setup of identifying and classifying entities, relations, and coreference clusters in scientific articles. We create SciERC, a dataset that includes annotations for all three tasks and develop a unified framework called Scientific Information Extractor (SciIE) for with shared span representations. The multi-task setup reduces cascading errors between tasks and leverages cross-sentence relations through coreference links. Experiments show that our multi-task model outperforms previous models in scientific information extraction without using any domain-specific features. We further show that the framework supports construction of a scientific knowledge graph, which we use to analyze information in scientific literature.
Most existing works in visual question answering (VQA) are dedicated to improving the accuracy of predicted answers, while disregarding the explanations. We argue that the explanation for an answer is of the same or even more importance compared with the answer itself, since it makes the question and answering process more understandable and traceable. To this end, we propose a new task of VQA-E (VQA with Explanation), where the computational models are required to generate an explanation with the predicted answer. We first construct a new dataset, and then frame the VQA-E problem in a multi-task learning architecture. Our VQA-E dataset is automatically derived from the VQA v2 dataset by intelligently exploiting the available captions. We have conducted a user study to validate the quality of explanations synthesized by our method. We quantitatively show that the additional supervision from explanations can not only produce insightful textual sentences to justify the answers, but also improve the performance of answer prediction. Our model outperforms the state-of-the-art methods by a clear margin on the VQA v2 dataset.
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