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Adam is one of the most popular optimization algorithms in deep learning. However, it is known that Adam does not converge in theory unless choosing a hyperparameter, i.e., $\beta_2$, in a problem-dependent manner. There have been many attempts to fix the non-convergence (e.g., AMSGrad), but they require an impractical assumption that the gradient noise is uniformly bounded. In this paper, we propose a new adaptive gradient method named ADOPT, which achieves the optimal convergence rate of $\mathcal{O} ( 1 / \sqrt{T} )$ with any choice of $\beta_2$ without depending on the bounded noise assumption. ADOPT addresses the non-convergence issue of Adam by removing the current gradient from the second moment estimate and changing the order of the momentum update and the normalization by the second moment estimate. We also conduct intensive numerical experiments, and verify that our ADOPT achieves superior results compared to Adam and its variants across a wide range of tasks, including image classification, generative modeling, natural language processing, and deep reinforcement learning. The implementation is available at //github.com/iShohei220/adopt.

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Scene generation is crucial to many computer graphics applications. Recent advances in generative AI have streamlined sketch-to-image workflows, easing the workload for artists and designers in creating scene concept art. However, these methods often struggle for complex scenes with multiple detailed objects, sometimes missing small or uncommon instances. In this paper, we propose a Training-free Triplet Tuning for Sketch-to-Scene (T3-S2S) generation after reviewing the entire cross-attention mechanism. This scheme revitalizes the existing ControlNet model, enabling effective handling of multi-instance generations, involving prompt balance, characteristics prominence, and dense tuning. Specifically, this approach enhances keyword representation via the prompt balance module, reducing the risk of missing critical instances. It also includes a characteristics prominence module that highlights TopK indices in each channel, ensuring essential features are better represented based on token sketches. Additionally, it employs dense tuning to refine contour details in the attention map, compensating for instance-related regions. Experiments validate that our triplet tuning approach substantially improves the performance of existing sketch-to-image models. It consistently generates detailed, multi-instance 2D images, closely adhering to the input prompts and enhancing visual quality in complex multi-instance scenes. Code is available at //github.com/chaos-sun/t3s2s.git.

The Mapper algorithm is a visualization technique in topological data analysis (TDA) that outputs a graph reflecting the structure of a given dataset. However, the Mapper algorithm requires tuning several parameters in order to generate a ``nice" Mapper graph. This paper focuses on selecting the cover parameter. We present an algorithm that optimizes the cover of a Mapper graph by splitting a cover repeatedly according to a statistical test for normality. Our algorithm is based on $G$-means clustering which searches for the optimal number of clusters in $k$-means by iteratively applying the Anderson-Darling test. Our splitting procedure employs a Gaussian mixture model to carefully choose the cover according to the distribution of the given data. Experiments for synthetic and real-world datasets demonstrate that our algorithm generates covers so that the Mapper graphs retain the essence of the datasets, while also running significantly fast.

Predicting future dynamics is crucial for applications like autonomous driving and robotics, where understanding the environment is key. Existing pixel-level methods are computationally expensive and often focus on irrelevant details. To address these challenges, we introduce $\texttt{DINO-Foresight}$, a novel framework that operates in the semantic feature space of pretrained Vision Foundation Models (VFMs). Our approach trains a masked feature transformer in a self-supervised manner to predict the evolution of VFM features over time. By forecasting these features, we can apply off-the-shelf, task-specific heads for various scene understanding tasks. In this framework, VFM features are treated as a latent space, to which different heads attach to perform specific tasks for future-frame analysis. Extensive experiments show that our framework outperforms existing methods, demonstrating its robustness and scalability. Additionally, we highlight how intermediate transformer representations in $\texttt{DINO-Foresight}$ improve downstream task performance, offering a promising path for the self-supervised enhancement of VFM features. We provide the implementation code at //github.com/Sta8is/DINO-Foresight .

A convergent numerical method for $\alpha$-dissipative solutions of the Hunter-Saxton equation is derived. The method is based on applying a tailor-made projection operator to the initial data, and then solving exactly using the generalized method of characteristics. The projection step is the only step that introduces any approximation error. It is therefore crucial that its design ensures not only a good approximation of the initial data, but also that errors due to the energy dissipation at later times remain small. Furthermore, it is shown that the main quantity of interest, the wave profile, converges in $L^{\infty}$ for all $t \geq 0$, while a subsequence of the energy density converges weakly for almost every time.

Singing Voice Synthesis (SVS) has witnessed significant advancements with the advent of deep learning techniques. However, a significant challenge in SVS is the scarcity of labeled singing voice data, which limits the effectiveness of supervised learning methods. In response to this challenge, this paper introduces a novel approach to enhance the quality of SVS by leveraging unlabeled data from pre-trained self-supervised learning models. Building upon the existing VISinger2 framework, this study integrates additional spectral feature information into the system to enhance its performance. The integration aims to harness the rich acoustic features from the pre-trained models, thereby enriching the synthesis and yielding a more natural and expressive singing voice. Experimental results in various corpora demonstrate the efficacy of this approach in improving the overall quality of synthesized singing voices in both objective and subjective metrics.

Data augmentation methods, especially SoTA interpolation-based methods such as Fair Mixup, have been widely shown to increase model fairness. However, this fairness is evaluated on metrics that do not capture model uncertainty and on datasets with only one, relatively large, minority group. As a remedy, multicalibration has been introduced to measure fairness while accommodating uncertainty and accounting for multiple minority groups. However, existing methods of improving multicalibration involve reducing initial training data to create a holdout set for post-processing, which is not ideal when minority training data is already sparse. This paper uses multicalibration to more rigorously examine data augmentation for classification fairness. We stress-test four versions of Fair Mixup on two structured data classification problems with up to 81 marginalized groups, evaluating multicalibration violations and balanced accuracy. We find that on nearly every experiment, Fair Mixup \textit{worsens} baseline performance and fairness, but the simple vanilla Mixup \textit{outperforms} both Fair Mixup and the baseline, especially when calibrating on small groups. \textit{Combining} vanilla Mixup with multicalibration post-processing, which enforces multicalibration through post-processing on a holdout set, further increases fairness.

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.

Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a new area of research known as AI for science (AI4Science). Being an emerging research paradigm, AI4Science is unique in that it is an enormous and highly interdisciplinary area. Thus, a unified and technical treatment of this field is needed yet challenging. This work aims to provide a technically thorough account of a subarea of AI4Science; namely, AI for quantum, atomistic, and continuum systems. These areas aim at understanding the physical world from the subatomic (wavefunctions and electron density), atomic (molecules, proteins, materials, and interactions), to macro (fluids, climate, and subsurface) scales and form an important subarea of AI4Science. A unique advantage of focusing on these areas is that they largely share a common set of challenges, thereby allowing a unified and foundational treatment. A key common challenge is how to capture physics first principles, especially symmetries, in natural systems by deep learning methods. We provide an in-depth yet intuitive account of techniques to achieve equivariance to symmetry transformations. We also discuss other common technical challenges, including explainability, out-of-distribution generalization, knowledge transfer with foundation and large language models, and uncertainty quantification. To facilitate learning and education, we provide categorized lists of resources that we found to be useful. We strive to be thorough and unified and hope this initial effort may trigger more community interests and efforts to further advance AI4Science.

With the advances of data-driven machine learning research, a wide variety of prediction problems have been tackled. It has become critical to explore how machine learning and specifically deep learning methods can be exploited to analyse healthcare data. A major limitation of existing methods has been the focus on grid-like data; however, the structure of physiological recordings are often irregular and unordered which makes it difficult to conceptualise them as a matrix. As such, graph neural networks have attracted significant attention by exploiting implicit information that resides in a biological system, with interactive nodes connected by edges whose weights can be either temporal associations or anatomical junctions. In this survey, we thoroughly review the different types of graph architectures and their applications in healthcare. We provide an overview of these methods in a systematic manner, organized by their domain of application including functional connectivity, anatomical structure and electrical-based analysis. We also outline the limitations of existing techniques and discuss potential directions for future research.

UMAP (Uniform Manifold Approximation and Projection) is a novel manifold learning technique for dimension reduction. UMAP is constructed from a theoretical framework based in Riemannian geometry and algebraic topology. The result is a practical scalable algorithm that applies to real world data. The UMAP algorithm is competitive with t-SNE for visualization quality, and arguably preserves more of the global structure with superior run time performance. Furthermore, UMAP has no computational restrictions on embedding dimension, making it viable as a general purpose dimension reduction technique for machine learning.

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