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Diffusion models suffer from slow sample generation at inference time. Despite recent efforts, improving the sampling efficiency of stochastic samplers for diffusion models remains a promising direction. We propose Splitting Integrators for fast stochastic sampling in pre-trained diffusion models in augmented spaces. Commonly used in molecular dynamics, splitting-based integrators attempt to improve sampling efficiency by cleverly alternating between numerical updates involving the data, auxiliary, or noise variables. However, we show that a naive application of splitting integrators is sub-optimal for fast sampling. Consequently, we propose several principled modifications to naive splitting samplers for improving sampling efficiency and denote the resulting samplers as Reduced Splitting Integrators. In the context of Phase Space Langevin Diffusion (PSLD) [Pandey \& Mandt, 2023] on CIFAR-10, our stochastic sampler achieves an FID score of 2.36 in only 100 network function evaluations (NFE) as compared to 2.63 for the best baselines.

The article provides a comprehensive overview of using quadratic polynomials in Python for modeling and analyzing data. It starts by explaining the basic concept of a quadratic polynomial, its general form, and its significance in capturing the curvature in data indicative of natural phenomena. The paper highlights key features of quadratic polynomials, their applications in regression analysis, and the process of fitting these polynomials to data using Python's `numpy` and `matplotlib` libraries. It also discusses the calculation of the coefficient of determination (R-squared) to quantify the fit of the polynomial model. Practical examples, including Python scripts, are provided to demonstrate how to apply these concepts in data analysis. The document serves as a bridge between theoretical knowledge and applied analytics, aiding in understanding and communicating data patterns.

The success of Reinforcement Learning (RL) heavily relies on the ability to learn robust representations from the observations of the environment. In most cases, the representations learned purely by the reinforcement learning loss can differ vastly across states depending on how the value functions change. However, the representations learned need not be very specific to the task at hand. Relying only on the RL objective may yield representations that vary greatly across successive time steps. In addition, since the RL loss has a changing target, the representations learned would depend on how good the current values/policies are. Thus, disentangling the representations from the main task would allow them to focus not only on the task-specific features but also the environment dynamics. To this end, we propose locally constrained representations, where an auxiliary loss forces the state representations to be predictable by the representations of the neighboring states. This encourages the representations to be driven not only by the value/policy learning but also by an additional loss that constrains the representations from over-fitting to the value loss. We evaluate the proposed method on several known benchmarks and observe strong performance. Especially in continuous control tasks, our experiments show a significant performance improvement.

While a variety of methods offer good yield prediction on histogrammed remote sensing data, vision Transformers are only sparsely represented in the literature. The Convolution vision Transformer (CvT) is being tested to evaluate vision Transformers that are currently achieving state-of-the-art results in many other vision tasks. CvT combines some of the advantages of convolution with the advantages of dynamic attention and global context fusion of Transformers. It performs worse than widely tested methods such as XGBoost and CNNs, but shows that Transformers have potential to improve yield prediction.

Vision-Language (VL) models have gained significant research focus, enabling remarkable advances in multimodal reasoning. These architectures typically comprise a vision encoder, a Large Language Model (LLM), and a projection module that aligns visual features with the LLM's representation space. Despite their success, a critical limitation persists: the vision encoding process remains decoupled from user queries, often in the form of image-related questions. Consequently, the resulting visual features may not be optimally attuned to the query-specific elements of the image. To address this, we introduce QA-ViT, a Question Aware Vision Transformer approach for multimodal reasoning, which embeds question awareness directly within the vision encoder. This integration results in dynamic visual features focusing on relevant image aspects to the posed question. QA-ViT is model-agnostic and can be incorporated efficiently into any VL architecture. Extensive experiments demonstrate the effectiveness of applying our method to various multimodal architectures, leading to consistent improvement across diverse tasks and showcasing its potential for enhancing visual and scene-text understanding.

Neural scaling laws characterize how model performance improves as the model size scales up. Inspired by empirical observations, we introduce a resource model of neural scaling. A task is usually composite hence can be decomposed into many subtasks, which compete for resources (measured by the number of neurons allocated to subtasks). On toy problems, we empirically find that: (1) The loss of a subtask is inversely proportional to its allocated neurons. (2) When multiple subtasks are present in a composite task, the resources acquired by each subtask uniformly grow as models get larger, keeping the ratios of acquired resources constants. We hypothesize these findings to be generally true and build a model to predict neural scaling laws for general composite tasks, which successfully replicates the neural scaling law of Chinchilla models reported in arXiv:2203.15556. We believe that the notion of resource used in this paper will be a useful tool for characterizing and diagnosing neural networks.

Graph neural networks (GNNs) is widely used to learn a powerful representation of graph-structured data. Recent work demonstrates that transferring knowledge from self-supervised tasks to downstream tasks could further improve graph representation. However, there is an inherent gap between self-supervised tasks and downstream tasks in terms of optimization objective and training data. Conventional pre-training methods may be not effective enough on knowledge transfer since they do not make any adaptation for downstream tasks. To solve such problems, we propose a new transfer learning paradigm on GNNs which could effectively leverage self-supervised tasks as auxiliary tasks to help the target task. Our methods would adaptively select and combine different auxiliary tasks with the target task in the fine-tuning stage. We design an adaptive auxiliary loss weighting model to learn the weights of auxiliary tasks by quantifying the consistency between auxiliary tasks and the target task. In addition, we learn the weighting model through meta-learning. Our methods can be applied to various transfer learning approaches, it performs well not only in multi-task learning but also in pre-training and fine-tuning. Comprehensive experiments on multiple downstream tasks demonstrate that the proposed methods can effectively combine auxiliary tasks with the target task and significantly improve the performance compared to state-of-the-art methods.

This paper presents a new approach for assembling graph neural networks based on framelet transforms. The latter provides a multi-scale representation for graph-structured data. With the framelet system, we can decompose the graph feature into low-pass and high-pass frequencies as extracted features for network training, which then defines a framelet-based graph convolution. The framelet decomposition naturally induces a graph pooling strategy by aggregating the graph feature into low-pass and high-pass spectra, which considers both the feature values and geometry of the graph data and conserves the total information. The graph neural networks with the proposed framelet convolution and pooling achieve state-of-the-art performance in many types of node and graph prediction tasks. Moreover, we propose shrinkage as a new activation for the framelet convolution, which thresholds the high-frequency information at different scales. Compared to ReLU, shrinkage in framelet convolution improves the graph neural network model in terms of denoising and signal compression: noises in both node and structure can be significantly reduced by accurately cutting off the high-pass coefficients from framelet decomposition, and the signal can be compressed to less than half its original size with the prediction performance well preserved.

Adversarial attack is a technique for deceiving Machine Learning (ML) models, which provides a way to evaluate the adversarial robustness. In practice, attack algorithms are artificially selected and tuned by human experts to break a ML system. However, manual selection of attackers tends to be sub-optimal, leading to a mistakenly assessment of model security. In this paper, a new procedure called Composite Adversarial Attack (CAA) is proposed for automatically searching the best combination of attack algorithms and their hyper-parameters from a candidate pool of \textbf{32 base attackers}. We design a search space where attack policy is represented as an attacking sequence, i.e., the output of the previous attacker is used as the initialization input for successors. Multi-objective NSGA-II genetic algorithm is adopted for finding the strongest attack policy with minimum complexity. The experimental result shows CAA beats 10 top attackers on 11 diverse defenses with less elapsed time (\textbf{6 $\times$ faster than AutoAttack}), and achieves the new state-of-the-art on $l_{\infty}$, $l_{2}$ and unrestricted adversarial attacks.

Embedding models for deterministic Knowledge Graphs (KG) have been extensively studied, with the purpose of capturing latent semantic relations between entities and incorporating the structured knowledge into machine learning. However, there are many KGs that model uncertain knowledge, which typically model the inherent uncertainty of relations facts with a confidence score, and embedding such uncertain knowledge represents an unresolved challenge. The capturing of uncertain knowledge will benefit many knowledge-driven applications such as question answering and semantic search by providing more natural characterization of the knowledge. In this paper, we propose a novel uncertain KG embedding model UKGE, which aims to preserve both structural and uncertainty information of relation facts in the embedding space. Unlike previous models that characterize relation facts with binary classification techniques, UKGE learns embeddings according to the confidence scores of uncertain relation facts. To further enhance the precision of UKGE, we also introduce probabilistic soft logic to infer confidence scores for unseen relation facts during training. We propose and evaluate two variants of UKGE based on different learning objectives. Experiments are conducted on three real-world uncertain KGs via three tasks, i.e. confidence prediction, relation fact ranking, and relation fact classification. UKGE shows effectiveness in capturing uncertain knowledge by achieving promising results on these tasks, and consistently outperforms baselines on these tasks.