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Guidance in conditional diffusion generation is of great importance for sample quality and controllability. However, existing guidance schemes are to be desired. On one hand, mainstream methods such as classifier guidance and classifier-free guidance both require extra training with labeled data, which is time-consuming and unable to adapt to new conditions. On the other hand, training-free methods such as universal guidance, though more flexible, have yet to demonstrate comparable performance. In this work, through a comprehensive investigation into the design space, we show that it is possible to achieve significant performance improvements over existing guidance schemes by leveraging off-the-shelf classifiers in a training-free fashion, enjoying the best of both worlds. Employing calibration as a general guideline, we propose several pre-conditioning techniques to better exploit pretrained off-the-shelf classifiers for guiding diffusion generation. Extensive experiments on ImageNet validate our proposed method, showing that state-of-the-art diffusion models (DDPM, EDM, DiT) can be further improved (up to 20%) using off-the-shelf classifiers with barely any extra computational cost. With the proliferation of publicly available pretrained classifiers, our proposed approach has great potential and can be readily scaled up to text-to-image generation tasks. The code is available at //github.com/AlexMaOLS/EluCD/tree/main.

We study the expressivity of ReLU neural networks in the setting of a binary classification problem from a topological perspective. Recently, empirical studies showed that neural networks operate by changing topology, transforming a topologically complicated data set into a topologically simpler one as it passes through the layers. This topological simplification has been measured by Betti numbers, which are algebraic invariants of a topological space. We use the same measure to establish lower and upper bounds on the topological simplification a ReLU neural network can achieve with a given architecture. We therefore contribute to a better understanding of the expressivity of ReLU neural networks in the context of binary classification problems by shedding light on their ability to capture the underlying topological structure of the data. In particular the results show that deep ReLU neural networks are exponentially more powerful than shallow ones in terms of topological simplification. This provides a mathematically rigorous explanation why deeper networks are better equipped to handle complex and topologically rich datasets.

Resource scheduling and allocation is a critical component of many high impact systems ranging from congestion control to cloud computing. Finding more optimal solutions to these problems often has significant impact on resource and time savings, reducing device wear-and-tear, and even potentially improving carbon emissions. In this paper, we focus on a specific instance of a scheduling problem, namely the memory mapping problem that occurs during compilation of machine learning programs: That is, mapping tensors to different memory layers to optimize execution time. We introduce an approach for solving the memory mapping problem using Reinforcement Learning. RL is a solution paradigm well-suited for sequential decision making problems that are amenable to planning, and combinatorial search spaces with high-dimensional data inputs. We formulate the problem as a single-player game, which we call the mallocGame, such that high-reward trajectories of the game correspond to efficient memory mappings on the target hardware. We also introduce a Reinforcement Learning agent, mallocMuZero, and show that it is capable of playing this game to discover new and improved memory mapping solutions that lead to faster execution times on real ML workloads on ML accelerators. We compare the performance of mallocMuZero to the default solver used by the Accelerated Linear Algebra (XLA) compiler on a benchmark of realistic ML workloads. In addition, we show that mallocMuZero is capable of improving the execution time of the recently published AlphaTensor matrix multiplication model.

Neural network generalizability is becoming a broad research field due to the increasing availability of datasets from different sources and for various tasks. This issue is even wider when processing medical data, where a lack of methodological standards causes large variations being provided by different imaging centers or acquired with various devices and cofactors. To overcome these limitations, we introduce a novel, generalizable, data- and task-agnostic framework able to extract salient features from medical images. The proposed quaternion wavelet network (QUAVE) can be easily integrated with any pre-existing medical image analysis or synthesis task, and it can be involved with real, quaternion, or hypercomplex-valued models, generalizing their adoption to single-channel data. QUAVE first extracts different sub-bands through the quaternion wavelet transform, resulting in both low-frequency/approximation bands and high-frequency/fine-grained features. Then, it weighs the most representative set of sub-bands to be involved as input to any other neural model for image processing, replacing standard data samples. We conduct an extensive experimental evaluation comprising different datasets, diverse image analysis, and synthesis tasks including reconstruction, segmentation, and modality translation. We also evaluate QUAVE in combination with both real and quaternion-valued models. Results demonstrate the effectiveness and the generalizability of the proposed framework that improves network performance while being flexible to be adopted in manifold scenarios.

The robustness of signal temporal logic not only assesses whether a signal adheres to a specification but also provides a measure of how much a formula is fulfilled or violated. The calculation of robustness is based on evaluating the robustness of underlying predicates. However, the robustness of predicates is usually defined in a model-free way, i.e., without including the system dynamics. Moreover, it is often nontrivial to define the robustness of complicated predicates precisely. To address these issues, we propose a notion of model predictive robustness, which provides a more systematic way of evaluating robustness compared to previous approaches by considering model-based predictions. In particular, we use Gaussian process regression to learn the robustness based on precomputed predictions so that robustness values can be efficiently computed online. We evaluate our approach for the use case of autonomous driving with predicates used in formalized traffic rules on a recorded dataset, which highlights the advantage of our approach compared to traditional approaches in terms of precision. By incorporating our robustness definitions into a trajectory planner, autonomous vehicles obey traffic rules more robustly than human drivers in the dataset.

The optimal rate at which information can be sent through a quantum channel when the transmitted signal must simultaneously carry some minimum amount of energy is characterized. To do so, we introduce the quantum-classical analogue of the capacity-power function and generalize results in classical information theory for transmitting classical information through noisy channels. We show that the capacity-power function for a quantum channel, for both unassisted and private protocol, is concave and also prove additivity for unentangled and uncorrelated ensembles of input signals. This implies we do not need regularized formulas for calculation. We numerically demonstrate these properties for some standard channel models. We obtain analytical expressions for the capacity-power function for the case of noiseless channels using properties of random quantum states and concentration phenomenon in large Hilbert spaces.

Large Language Models (LLMs) have shown excellent generalization capabilities that have led to the development of numerous models. These models propose various new architectures, tweaking existing architectures with refined training strategies, increasing context length, using high-quality training data, and increasing training time to outperform baselines. Analyzing new developments is crucial for identifying changes that enhance training stability and improve generalization in LLMs. This survey paper comprehensively analyses the LLMs architectures and their categorization, training strategies, training datasets, and performance evaluations and discusses future research directions. Moreover, the paper also discusses the basic building blocks and concepts behind LLMs, followed by a complete overview of LLMs, including their important features and functions. Finally, the paper summarizes significant findings from LLM research and consolidates essential architectural and training strategies for developing advanced LLMs. Given the continuous advancements in LLMs, we intend to regularly update this paper by incorporating new sections and featuring the latest LLM models.

We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly and directly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.

Residual networks (ResNets) have displayed impressive results in pattern recognition and, recently, have garnered considerable theoretical interest due to a perceived link with neural ordinary differential equations (neural ODEs). This link relies on the convergence of network weights to a smooth function as the number of layers increases. We investigate the properties of weights trained by stochastic gradient descent and their scaling with network depth through detailed numerical experiments. We observe the existence of scaling regimes markedly different from those assumed in neural ODE literature. Depending on certain features of the network architecture, such as the smoothness of the activation function, one may obtain an alternative ODE limit, a stochastic differential equation or neither of these. These findings cast doubts on the validity of the neural ODE model as an adequate asymptotic description of deep ResNets and point to an alternative class of differential equations as a better description of the deep network limit.

Detecting carried objects is one of the requirements for developing systems to reason about activities involving people and objects. We present an approach to detect carried objects from a single video frame with a novel method that incorporates features from multiple scales. Initially, a foreground mask in a video frame is segmented into multi-scale superpixels. Then the human-like regions in the segmented area are identified by matching a set of extracted features from superpixels against learned features in a codebook. A carried object probability map is generated using the complement of the matching probabilities of superpixels to human-like regions and background information. A group of superpixels with high carried object probability and strong edge support is then merged to obtain the shape of the carried object. We applied our method to two challenging datasets, and results show that our method is competitive with or better than the state-of-the-art.