Daily Papers

The informational synthesis of neural structures, processes, parameters and characteristics that allow a unified description and modeling as neural machines of natural and artificial neural systems is presented. The general informational parameters as the global quantitative measure of the neural systems computing potential as absolute and relative neural power were proposed. Neural information organizing and processing follows the way in which nature manages neural information by developing functions, functionalities and circuits related to different internal or peripheral components and also to the whole system through a non-deterministic memorization, fragmentation and aggregation of afferent and efferent information, deep neural information processing representing multiple alternations of fragmentation and aggregation stages. The relevant neural characteristics were integrated into a neural machine type model that incorporates unitary also peripheral or interface components as the central ones. The proposed approach allows overcoming the technical constraints in artificial computational implementations of neural information processes and also provides a more relevant description of natural ones.

Neural image compression methods have seen increasingly strong performance in recent years. However, they suffer orders of magnitude higher computational complexity compared to traditional codecs, which stands in the way of real-world deployment. This paper takes a step forward in closing this gap in decoding complexity by adopting shallow or even linear decoding transforms. To compensate for the resulting drop in compression performance, we exploit the often asymmetrical computation budget between encoding and decoding, by adopting more powerful encoder networks and iterative encoding. We theoretically formalize the intuition behind, and our experimental results establish a new frontier in the trade-off between rate-distortion and decoding complexity for neural image compression. Specifically, we achieve rate-distortion performance competitive with the established mean-scale hyperprior architecture of Minnen et al. (2018), while reducing the overall decoding complexity by 80 %, or over 90 % for the synthesis transform alone. Our code can be found at https://github.com/mandt-lab/shallow-ntc.

Analog front-end design heavily relies on specialized human expertise and costly trial-and-error simulations, which motivated many prior works on analog design automation. However, efficient and effective exploration of the vast and complex design space remains constrained by the time-consuming nature of SPICE simulations, making effective design automation a challenging endeavor. In this paper, we introduce INSIGHT, a GPU-powered, technology-agnostic, effective universal neural simulator in the analog front-end design automation loop. INSIGHT accurately predicts the performance metrics of analog circuits across various technologies with just a few microseconds of inference time. Notably, its autoregressive capabilities enable INSIGHT to accurately predict simulation-costly critical transient specifications leveraging less expensive performance metric information. The low cost and high fidelity feature make INSIGHT a good substitute for standard simulators in analog front-end optimization frameworks. INSIGHT is compatible with any optimization framework, facilitating enhanced design space exploration for sample efficiency through sophisticated offline learning and adaptation techniques. Our experiments demonstrate that INSIGHT-M, a model-based batch reinforcement learning sizing framework with INSIGHT as the accurate surrogate, only requires < 20 real-time simulations with 100-1000x lower simulation costs and significant speedup over existing sizing methods.

Neural Radiance Fields (NeRFs) have achieved great success in the past few years. However, most current methods still require intensive resources due to ray marching-based rendering. To construct urban-level radiance fields efficiently, we design Deformable Neural Mesh Primitive~(DNMP), and propose to parameterize the entire scene with such primitives. The DNMP is a flexible and compact neural variant of classic mesh representation, which enjoys both the efficiency of rasterization-based rendering and the powerful neural representation capability for photo-realistic image synthesis. Specifically, a DNMP consists of a set of connected deformable mesh vertices with paired vertex features to parameterize the geometry and radiance information of a local area. To constrain the degree of freedom for optimization and lower the storage budgets, we enforce the shape of each primitive to be decoded from a relatively low-dimensional latent space. The rendering colors are decoded from the vertex features (interpolated with rasterization) by a view-dependent MLP. The DNMP provides a new paradigm for urban-level scene representation with appealing properties: (1) High-quality rendering. Our method achieves leading performance for novel view synthesis in urban scenarios. (2) Low computational costs. Our representation enables fast rendering (2.07ms/1k pixels) and low peak memory usage (110MB/1k pixels). We also present a lightweight version that can run 33times faster than vanilla NeRFs, and comparable to the highly-optimized Instant-NGP (0.61 vs 0.71ms/1k pixels). Project page: https://dnmp.github.io/{https://dnmp.github.io/}.

Machine learning architectures, including transformers and recurrent neural networks (RNNs) have revolutionized forecasting in applications ranging from text processing to extreme weather. Notably, advanced network architectures, tuned for applications such as natural language processing, are transferable to other tasks such as spatiotemporal forecasting tasks. However, there is a scarcity of ablation studies to illustrate the key components that enable this forecasting accuracy. The absence of such studies, although explainable due to the associated computational cost, intensifies the belief that these models ought to be considered as black boxes. In this work, we decompose the key architectural components of the most powerful neural architectures, namely gating and recurrence in RNNs, and attention mechanisms in transformers. Then, we synthesize and build novel hybrid architectures from the standard blocks, performing ablation studies to identify which mechanisms are effective for each task. The importance of considering these components as hyper-parameters that can augment the standard architectures is exhibited on various forecasting datasets, from the spatiotemporal chaotic dynamics of the multiscale Lorenz 96 system, the Kuramoto-Sivashinsky equation, as well as standard real world time-series benchmarks. A key finding is that neural gating and attention improves the performance of all standard RNNs in most tasks, while the addition of a notion of recurrence in transformers is detrimental. Furthermore, our study reveals that a novel, sparsely used, architecture which integrates Recurrent Highway Networks with neural gating and attention mechanisms, emerges as the best performing architecture in high-dimensional spatiotemporal forecasting of dynamical systems.

Transformers have recently emerged as powerful neural networks for graph learning, showcasing state-of-the-art performance on several graph property prediction tasks. However, these results have been limited to small-scale graphs, where the computational feasibility of the global attention mechanism is possible. The next goal is to scale up these architectures to handle very large graphs on the scale of millions or even billions of nodes. With large-scale graphs, global attention learning is proven impractical due to its quadratic complexity w.r.t. the number of nodes. On the other hand, neighborhood sampling techniques become essential to manage large graph sizes, yet finding the optimal trade-off between speed and accuracy with sampling techniques remains challenging. This work advances representation learning on single large-scale graphs with a focus on identifying model characteristics and critical design constraints for developing scalable graph transformer (GT) architectures. We argue such GT requires layers that can adeptly learn both local and global graph representations while swiftly sampling the graph topology. As such, a key innovation of this work lies in the creation of a fast neighborhood sampling technique coupled with a local attention mechanism that encompasses a 4-hop reception field, but achieved through just 2-hop operations. This local node embedding is then integrated with a global node embedding, acquired via another self-attention layer with an approximate global codebook, before finally sent through a downstream layer for node predictions. The proposed GT framework, named LargeGT, overcomes previous computational bottlenecks and is validated on three large-scale node classification benchmarks. We report a 3x speedup and 16.8% performance gain on ogbn-products and snap-patents, while we also scale LargeGT on ogbn-papers100M with a 5.9% performance improvement.

We present a simple yet powerful neural network that implicitly represents and renders 3D objects and scenes only from 2D observations. The network models 3D geometries as a general radiance field, which takes a set of 2D images with camera poses and intrinsics as input, constructs an internal representation for each point of the 3D space, and then renders the corresponding appearance and geometry of that point viewed from an arbitrary position. The key to our approach is to learn local features for each pixel in 2D images and to then project these features to 3D points, thus yielding general and rich point representations. We additionally integrate an attention mechanism to aggregate pixel features from multiple 2D views, such that visual occlusions are implicitly taken into account. Extensive experiments demonstrate that our method can generate high-quality and realistic novel views for novel objects, unseen categories and challenging real-world scenes.

We present GameNGen, the first game engine powered entirely by a neural model that enables real-time interaction with a complex environment over long trajectories at high quality. GameNGen can interactively simulate the classic game DOOM at over 20 frames per second on a single TPU. Next frame prediction achieves a PSNR of 29.4, comparable to lossy JPEG compression. Human raters are only slightly better than random chance at distinguishing short clips of the game from clips of the simulation. GameNGen is trained in two phases: (1) an RL-agent learns to play the game and the training sessions are recorded, and (2) a diffusion model is trained to produce the next frame, conditioned on the sequence of past frames and actions. Conditioning augmentations enable stable auto-regressive generation over long trajectories.

Continuously adapting pre-trained models to local data on resource constrained edge devices is the last mile for model deployment. However, as models increase in size and depth, backpropagation requires a large amount of memory, which becomes prohibitive for edge devices. In addition, most existing low power neural processing engines (e.g., NPUs, DSPs, MCUs, etc.) are designed as fixed-point inference accelerators, without training capabilities. Forward gradients, solely based on directional derivatives computed from two forward calls, have been recently used for model training, with substantial savings in computation and memory. However, the performance of quantized training with fixed-point forward gradients remains unclear. In this paper, we investigate the feasibility of on-device training using fixed-point forward gradients, by conducting comprehensive experiments across a variety of deep learning benchmark tasks in both vision and audio domains. We propose a series of algorithm enhancements that further reduce the memory footprint, and the accuracy gap compared to backpropagation. An empirical study on how training with forward gradients navigates in the loss landscape is further explored. Our results demonstrate that on the last mile of model customization on edge devices, training with fixed-point forward gradients is a feasible and practical approach.

Recent work has shown that diffusion models can be used as powerful neural rendering engines that can be leveraged for inserting virtual objects into images. Unlike typical physics-based renderers, however, neural rendering engines are limited by the lack of manual control over the lighting setup, which is often essential for improving or personalizing the desired image outcome. In this paper, we show that precise lighting control can be achieved for object relighting simply by specifying the desired shadows of the object. Rather surprisingly, we show that injecting only the shadow of the object into a pre-trained diffusion-based neural renderer enables it to accurately shade the object according to the desired light position, while properly harmonizing the object (and its shadow) within the target background image. Our method, SpotLight, leverages existing neural rendering approaches and achieves controllable relighting results with no additional training. Specifically, we demonstrate its use with two neural renderers from the recent literature. We show that SpotLight achieves superior object compositing results, both quantitatively and perceptually, as confirmed by a user study, outperforming existing diffusion-based models specifically designed for relighting.

Computer graphics has experienced a recent surge of data-centric approaches for photorealistic and controllable content creation. StyleGAN in particular sets new standards for generative modeling regarding image quality and controllability. However, StyleGAN's performance severely degrades on large unstructured datasets such as ImageNet. StyleGAN was designed for controllability; hence, prior works suspect its restrictive design to be unsuitable for diverse datasets. In contrast, we find the main limiting factor to be the current training strategy. Following the recently introduced Projected GAN paradigm, we leverage powerful neural network priors and a progressive growing strategy to successfully train the latest StyleGAN3 generator on ImageNet. Our final model, StyleGAN-XL, sets a new state-of-the-art on large-scale image synthesis and is the first to generate images at a resolution of 1024^2 at such a dataset scale. We demonstrate that this model can invert and edit images beyond the narrow domain of portraits or specific object classes.

To advance models of multimodal context, we introduce a simple yet powerful neural architecture for data that combines vision and natural language. The "Bounding Boxes in Text Transformer" (B2T2) also leverages referential information binding words to portions of the image in a single unified architecture. B2T2 is highly effective on the Visual Commonsense Reasoning benchmark (https://visualcommonsense.com), achieving a new state-of-the-art with a 25% relative reduction in error rate compared to published baselines and obtaining the best performance to date on the public leaderboard (as of May 22, 2019). A detailed ablation analysis shows that the early integration of the visual features into the text analysis is key to the effectiveness of the new architecture. A reference implementation of our models is provided (https://github.com/google-research/language/tree/master/language/question_answering/b2t2).

We present two new large-scale datasets aimed at evaluating systems designed to comprehend a natural language query and extract its answer from a large corpus of text. The Quasar-S dataset consists of 37000 cloze-style (fill-in-the-gap) queries constructed from definitions of software entity tags on the popular website Stack Overflow. The posts and comments on the website serve as the background corpus for answering the cloze questions. The Quasar-T dataset consists of 43000 open-domain trivia questions and their answers obtained from various internet sources. ClueWeb09 serves as the background corpus for extracting these answers. We pose these datasets as a challenge for two related subtasks of factoid Question Answering: (1) searching for relevant pieces of text that include the correct answer to a query, and (2) reading the retrieved text to answer the query. We also describe a retrieval system for extracting relevant sentences and documents from the corpus given a query, and include these in the release for researchers wishing to only focus on (2). We evaluate several baselines on both datasets, ranging from simple heuristics to powerful neural models, and show that these lag behind human performance by 16.4% and 32.1% for Quasar-S and -T respectively. The datasets are available at https://github.com/bdhingra/quasar .

Current diffusion or flow-based generative models for 3D shapes divide to two: distilling pre-trained 2D image diffusion models, and training directly on 3D shapes. When training a diffusion or flow models on 3D shapes a crucial design choice is the shape representation. An effective shape representation needs to adhere three design principles: it should allow an efficient conversion of large 3D datasets to the representation form; it should provide a good tradeoff of approximation power versus number of parameters; and it should have a simple tensorial form that is compatible with existing powerful neural architectures. While standard 3D shape representations such as volumetric grids and point clouds do not adhere to all these principles simultaneously, we advocate in this paper a new representation that does. We introduce Mosaic-SDF (M-SDF): a simple 3D shape representation that approximates the Signed Distance Function (SDF) of a given shape by using a set of local grids spread near the shape's boundary. The M-SDF representation is fast to compute for each shape individually making it readily parallelizable; it is parameter efficient as it only covers the space around the shape's boundary; and it has a simple matrix form, compatible with Transformer-based architectures. We demonstrate the efficacy of the M-SDF representation by using it to train a 3D generative flow model including class-conditioned generation with the 3D Warehouse dataset, and text-to-3D generation using a dataset of about 600k caption-shape pairs.

Neural network models have been very successful in natural language inference, with the best models reaching 90% accuracy in some benchmarks. However, the success of these models turns out to be largely benchmark specific. We show that models trained on a natural language inference dataset drawn from one benchmark fail to perform well in others, even if the notion of inference assumed in these benchmarks is the same or similar. We train six high performing neural network models on different datasets and show that each one of these has problems of generalizing when we replace the original test set with a test set taken from another corpus designed for the same task. In light of these results, we argue that most of the current neural network models are not able to generalize well in the task of natural language inference. We find that using large pre-trained language models helps with transfer learning when the datasets are similar enough. Our results also highlight that the current NLI datasets do not cover the different nuances of inference extensively enough.

This paper analyses a set of simple adaptations that transform standard message-passing Graph Neural Networks (GNN) into provably powerful directed multigraph neural networks. The adaptations include multigraph port numbering, ego IDs, and reverse message passing. We prove that the combination of these theoretically enables the detection of any directed subgraph pattern. To validate the effectiveness of our proposed adaptations in practice, we conduct experiments on synthetic subgraph detection tasks, which demonstrate outstanding performance with almost perfect results. Moreover, we apply our proposed adaptations to two financial crime analysis tasks. We observe dramatic improvements in detecting money laundering transactions, improving the minority-class F1 score of a standard message-passing GNN by up to 30%, and closely matching or outperforming tree-based and GNN baselines. Similarly impressive results are observed on a real-world phishing detection dataset, boosting three standard GNNs' F1 scores by around 15% and outperforming all baselines.

A neural architecture with randomly initialized weights, in the infinite width limit, is equivalent to a Gaussian Random Field whose covariance function is the so-called Neural Network Gaussian Process kernel (NNGP). We prove that a reproducing kernel Hilbert space (RKHS) defined by the NNGP contains only functions that can be approximated by the architecture. To achieve a certain approximation error the required number of neurons in each layer is defined by the RKHS norm of the target function. Moreover, the approximation can be constructed from a supervised dataset by a random multi-layer representation of an input vector, together with training of the last layer's weights. For a 2-layer NN and a domain equal to an n-1-dimensional sphere in {mathbb R}^n, we compare the number of neurons required by Barron's theorem and by the multi-layer features construction. We show that if eigenvalues of the integral operator of the NNGP decay slower than k^{-n-2{3}} where k is an order of an eigenvalue, then our theorem guarantees a more succinct neural network approximation than Barron's theorem. We also make some computational experiments to verify our theoretical findings. Our experiments show that realistic neural networks easily learn target functions even when both theorems do not give any guarantees.

State estimation is highly critical for accurately observing the dynamic behavior of the power grids and minimizing risks from cyber threats. However, existing state estimation methods encounter challenges in accurately capturing power system dynamics, primarily because of limitations in encoding the grid topology and sparse measurements. This paper proposes a physics-informed graphical learning state estimation method to address these limitations by leveraging both domain physical knowledge and a graph neural network (GNN). We employ a GNN architecture that can handle the graph-structured data of power systems more effectively than traditional data-driven methods. The physics-based knowledge is constructed from the branch current formulation, making the approach adaptable to both transmission and distribution systems. The validation results of three IEEE test systems show that the proposed method can achieve lower mean square error more than 20% than the conventional methods.

We present Neural Fields for LiDAR (NFL), a method to optimise a neural field scene representation from LiDAR measurements, with the goal of synthesizing realistic LiDAR scans from novel viewpoints. NFL combines the rendering power of neural fields with a detailed, physically motivated model of the LiDAR sensing process, thus enabling it to accurately reproduce key sensor behaviors like beam divergence, secondary returns, and ray dropping. We evaluate NFL on synthetic and real LiDAR scans and show that it outperforms explicit reconstruct-then-simulate methods as well as other NeRF-style methods on LiDAR novel view synthesis task. Moreover, we show that the improved realism of the synthesized views narrows the domain gap to real scans and translates to better registration and semantic segmentation performance.

Ranking models lie at the heart of research on information retrieval (IR). During the past decades, different techniques have been proposed for constructing ranking models, from traditional heuristic methods, probabilistic methods, to modern machine learning methods. Recently, with the advance of deep learning technology, we have witnessed a growing body of work in applying shallow or deep neural networks to the ranking problem in IR, referred to as neural ranking models in this paper. The power of neural ranking models lies in the ability to learn from the raw text inputs for the ranking problem to avoid many limitations of hand-crafted features. Neural networks have sufficient capacity to model complicated tasks, which is needed to handle the complexity of relevance estimation in ranking. Since there have been a large variety of neural ranking models proposed, we believe it is the right time to summarize the current status, learn from existing methodologies, and gain some insights for future development. In contrast to existing reviews, in this survey, we will take a deep look into the neural ranking models from different dimensions to analyze their underlying assumptions, major design principles, and learning strategies. We compare these models through benchmark tasks to obtain a comprehensive empirical understanding of the existing techniques. We will also discuss what is missing in the current literature and what are the promising and desired future directions.

Harnessing the statistical power of neural networks to perform language understanding and symbolic reasoning is difficult, when it requires executing efficient discrete operations against a large knowledge-base. In this work, we introduce a Neural Symbolic Machine, which contains (a) a neural "programmer", i.e., a sequence-to-sequence model that maps language utterances to programs and utilizes a key-variable memory to handle compositionality (b) a symbolic "computer", i.e., a Lisp interpreter that performs program execution, and helps find good programs by pruning the search space. We apply REINFORCE to directly optimize the task reward of this structured prediction problem. To train with weak supervision and improve the stability of REINFORCE, we augment it with an iterative maximum-likelihood training process. NSM outperforms the state-of-the-art on the WebQuestionsSP dataset when trained from question-answer pairs only, without requiring any feature engineering or domain-specific knowledge.

Neural networks are powerful and flexible models that work well for many difficult learning tasks in image, speech and natural language understanding. Despite their success, neural networks are still hard to design. In this paper, we use a recurrent network to generate the model descriptions of neural networks and train this RNN with reinforcement learning to maximize the expected accuracy of the generated architectures on a validation set. On the CIFAR-10 dataset, our method, starting from scratch, can design a novel network architecture that rivals the best human-invented architecture in terms of test set accuracy. Our CIFAR-10 model achieves a test error rate of 3.65, which is 0.09 percent better and 1.05x faster than the previous state-of-the-art model that used a similar architectural scheme. On the Penn Treebank dataset, our model can compose a novel recurrent cell that outperforms the widely-used LSTM cell, and other state-of-the-art baselines. Our cell achieves a test set perplexity of 62.4 on the Penn Treebank, which is 3.6 perplexity better than the previous state-of-the-art model. The cell can also be transferred to the character language modeling task on PTB and achieves a state-of-the-art perplexity of 1.214.

We introduce a new approach to functional causal modeling from observational data, called Causal Generative Neural Networks (CGNN). CGNN leverages the power of neural networks to learn a generative model of the joint distribution of the observed variables, by minimizing the Maximum Mean Discrepancy between generated and observed data. An approximate learning criterion is proposed to scale the computational cost of the approach to linear complexity in the number of observations. The performance of CGNN is studied throughout three experiments. Firstly, CGNN is applied to cause-effect inference, where the task is to identify the best causal hypothesis out of Xrightarrow Y and Yrightarrow X. Secondly, CGNN is applied to the problem of identifying v-structures and conditional independences. Thirdly, CGNN is applied to multivariate functional causal modeling: given a skeleton describing the direct dependences in a set of random variables X = [X_1, ldots, X_d], CGNN orients the edges in the skeleton to uncover the directed acyclic causal graph describing the causal structure of the random variables. On all three tasks, CGNN is extensively assessed on both artificial and real-world data, comparing favorably to the state-of-the-art. Finally, CGNN is extended to handle the case of confounders, where latent variables are involved in the overall causal model.

A burgeoning line of research leverages deep neural networks to approximate the solutions to high dimensional PDEs, opening lines of theoretical inquiry focused on explaining how it is that these models appear to evade the curse of dimensionality. However, most prior theoretical analyses have been limited to linear PDEs. In this work, we take a step towards studying the representational power of neural networks for approximating solutions to nonlinear PDEs. We focus on a class of PDEs known as nonlinear elliptic variational PDEs, whose solutions minimize an Euler-Lagrange energy functional E(u) = int_Omega L(x, u(x), nabla u(x)) - f(x) u(x)dx. We show that if composing a function with Barron norm b with partial derivatives of L produces a function of Barron norm at most B_L b^p, the solution to the PDE can be epsilon-approximated in the L^2 sense by a function with Barron norm Oleft(left(dB_Lright)^{max{p log(1/ epsilon), p^{log(1/epsilon)}}}right). By a classical result due to Barron [1993], this correspondingly bounds the size of a 2-layer neural network needed to approximate the solution. Treating p, epsilon, B_L as constants, this quantity is polynomial in dimension, thus showing neural networks can evade the curse of dimensionality. Our proof technique involves neurally simulating (preconditioned) gradient in an appropriate Hilbert space, which converges exponentially fast to the solution of the PDE, and such that we can bound the increase of the Barron norm at each iterate. Our results subsume and substantially generalize analogous prior results for linear elliptic PDEs over a unit hypercube.

Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However, existing approaches either overlook the inherent permutation symmetry in the neural network or rely on intricate weight-sharing patterns to achieve equivariance, while ignoring the impact of the network architecture itself. In this work, we propose to represent neural networks as computational graphs of parameters, which allows us to harness powerful graph neural networks and transformers that preserve permutation symmetry. Consequently, our approach enables a single model to encode neural computational graphs with diverse architectures. We showcase the effectiveness of our method on a wide range of tasks, including classification and editing of implicit neural representations, predicting generalization performance, and learning to optimize, while consistently outperforming state-of-the-art methods. The source code is open-sourced at https://github.com/mkofinas/neural-graphs.

Arguably, the visual perception of conversational agents to the physical world is a key way for them to exhibit the human-like intelligence. Image-grounded conversation is thus proposed to address this challenge. Existing works focus on exploring the multimodal dialog models that ground the conversation on a given image. In this paper, we take a step further to study image-grounded conversation under a fully open-ended setting where no paired dialog and image are assumed available. Specifically, we present Maria, a neural conversation agent powered by the visual world experiences which are retrieved from a large-scale image index. Maria consists of three flexible components, i.e., text-to-image retriever, visual concept detector and visual-knowledge-grounded response generator. The retriever aims to retrieve a correlated image to the dialog from an image index, while the visual concept detector extracts rich visual knowledge from the image. Then, the response generator is grounded on the extracted visual knowledge and dialog context to generate the target response. Extensive experiments demonstrate Maria outperforms previous state-of-the-art methods on automatic metrics and human evaluation, and can generate informative responses that have some visual commonsense of the physical world.

Treatment effect estimation is of high-importance for both researchers and practitioners across many scientific and industrial domains. The abundance of observational data makes them increasingly used by researchers for the estimation of causal effects. However, these data suffer from biases, from several weaknesses, leading to inaccurate causal effect estimations, if not handled properly. Therefore, several machine learning techniques have been proposed, most of them focusing on leveraging the predictive power of neural network models to attain more precise estimation of causal effects. In this work, we propose a new methodology, named Nearest Neighboring Information for Causal Inference (NNCI), for integrating valuable nearest neighboring information on neural network-based models for estimating treatment effects. The proposed NNCI methodology is applied to some of the most well established neural network-based models for treatment effect estimation with the use of observational data. Numerical experiments and analysis provide empirical and statistical evidence that the integration of NNCI with state-of-the-art neural network models leads to considerably improved treatment effect estimations on a variety of well-known challenging benchmarks.

A wide variety of deep learning techniques from style transfer to multitask learning rely on training affine transformations of features. Most prominent among these is the popular feature normalization technique BatchNorm, which normalizes activations and then subsequently applies a learned affine transform. In this paper, we aim to understand the role and expressive power of affine parameters used to transform features in this way. To isolate the contribution of these parameters from that of the learned features they transform, we investigate the performance achieved when training only these parameters in BatchNorm and freezing all weights at their random initializations. Doing so leads to surprisingly high performance considering the significant limitations that this style of training imposes. For example, sufficiently deep ResNets reach 82% (CIFAR-10) and 32% (ImageNet, top-5) accuracy in this configuration, far higher than when training an equivalent number of randomly chosen parameters elsewhere in the network. BatchNorm achieves this performance in part by naturally learning to disable around a third of the random features. Not only do these results highlight the expressive power of affine parameters in deep learning, but - in a broader sense - they characterize the expressive power of neural networks constructed simply by shifting and rescaling random features.

We show that Large Language Model from Power Law Decoder Representations (PLDR-LLM) is a foundational model whose deductive outputs are invariant tensors up to a small perturbation. PLDR-LLM learns a singularity condition for the deductive outputs that enable the once-inferred energy-curvature tensor G_{LM} to replace the deep neural network of power law graph attention (PLGA) generating the deductive outputs at inference. We demonstrate that a cache for G_{LM} (G-cache) and KV-cache can be implemented in a straightforward manner to improve the inference time. The invariance and generalizable nature of deductive outputs is at a very high fidelity where deductive outputs have same RMSE and determinant values up to 15 decimal places after caching, and zero-shot benchmark scores remain unchanged. Ablation studies show that learned deductive outputs have distinct loss and accuracy characteristics from models pretrained with transferred, randomly initialized or identity tensors as a constant tensor operator and an LLM with scaled-dot product attention (SDPA) is a special case of PLDR-LLM where G_{LM} is predefined as identity. The observed invariance characteristic introduces a novel asymmetry between training and inference phases with caching. We outline observed common characteristics of the deductive outputs for the learned singularity condition. We provide an implementation of a training and inference framework for PLDR-LLM with KV-cache and G-cache.

Although powerful graph neural networks (GNNs) have boosted numerous real-world applications, the potential privacy risk is still underexplored. To close this gap, we perform the first comprehensive study of graph reconstruction attack that aims to reconstruct the adjacency of nodes. We show that a range of factors in GNNs can lead to the surprising leakage of private links. Especially by taking GNNs as a Markov chain and attacking GNNs via a flexible chain approximation, we systematically explore the underneath principles of graph reconstruction attack, and propose two information theory-guided mechanisms: (1) the chain-based attack method with adaptive designs for extracting more private information; (2) the chain-based defense method that sharply reduces the attack fidelity with moderate accuracy loss. Such two objectives disclose a critical belief that to recover better in attack, you must extract more multi-aspect knowledge from the trained GNN; while to learn safer for defense, you must forget more link-sensitive information in training GNNs. Empirically, we achieve state-of-the-art results on six datasets and three common GNNs. The code is publicly available at: https://github.com/tmlr-group/MC-GRA.

Deep neural networks are powerful predictors for a variety of tasks. However, they do not capture uncertainty directly. Using neural network ensembles to quantify uncertainty is competitive with approaches based on Bayesian neural networks while benefiting from better computational scalability. However, building ensembles of neural networks is a challenging task because, in addition to choosing the right neural architecture or hyperparameters for each member of the ensemble, there is an added cost of training each model. We propose AutoDEUQ, an automated approach for generating an ensemble of deep neural networks. Our approach leverages joint neural architecture and hyperparameter search to generate ensembles. We use the law of total variance to decompose the predictive variance of deep ensembles into aleatoric (data) and epistemic (model) uncertainties. We show that AutoDEUQ outperforms probabilistic backpropagation, Monte Carlo dropout, deep ensemble, distribution-free ensembles, and hyper ensemble methods on a number of regression benchmarks.

Large deep neural networks are powerful, but exhibit undesirable behaviors such as memorization and sensitivity to adversarial examples. In this work, we propose mixup, a simple learning principle to alleviate these issues. In essence, mixup trains a neural network on convex combinations of pairs of examples and their labels. By doing so, mixup regularizes the neural network to favor simple linear behavior in-between training examples. Our experiments on the ImageNet-2012, CIFAR-10, CIFAR-100, Google commands and UCI datasets show that mixup improves the generalization of state-of-the-art neural network architectures. We also find that mixup reduces the memorization of corrupt labels, increases the robustness to adversarial examples, and stabilizes the training of generative adversarial networks.

Relying on the representation power of neural networks, most recent works have often neglected several factors involved in haze degradation, such as transmission (the amount of light reaching an observer from a scene over distance) and atmospheric light. These factors are generally unknown, making dehazing problems ill-posed and creating inherent uncertainties. To account for such uncertainties and factors involved in haze degradation, we introduce a variational Bayesian framework for single image dehazing. We propose to take not only a clean image and but also transmission map as latent variables, the posterior distributions of which are parameterized by corresponding neural networks: dehazing and transmission networks, respectively. Based on a physical model for haze degradation, our variational Bayesian framework leads to a new objective function that encourages the cooperation between them, facilitating the joint training of and thereby boosting the performance of each other. In our framework, a dehazing network can estimate a clean image independently of a transmission map estimation during inference, introducing no overhead. Furthermore, our model-agnostic framework can be seamlessly incorporated with other existing dehazing networks, greatly enhancing the performance consistently across datasets and models.

Despite the fact that deep neural networks are powerful models and achieve appealing results on many tasks, they are too large to be deployed on edge devices like smartphones or embedded sensor nodes. There have been efforts to compress these networks, and a popular method is knowledge distillation, where a large (teacher) pre-trained network is used to train a smaller (student) network. However, in this paper, we show that the student network performance degrades when the gap between student and teacher is large. Given a fixed student network, one cannot employ an arbitrarily large teacher, or in other words, a teacher can effectively transfer its knowledge to students up to a certain size, not smaller. To alleviate this shortcoming, we introduce multi-step knowledge distillation, which employs an intermediate-sized network (teacher assistant) to bridge the gap between the student and the teacher. Moreover, we study the effect of teacher assistant size and extend the framework to multi-step distillation. Theoretical analysis and extensive experiments on CIFAR-10,100 and ImageNet datasets and on CNN and ResNet architectures substantiate the effectiveness of our proposed approach.

A key question in the problem of 3D reconstruction is how to train a machine or a robot to model 3D objects. Many tasks like navigation in real-time systems such as autonomous vehicles directly depend on this problem. These systems usually have limited computational power. Despite considerable progress in 3D reconstruction systems in recent years, applying them to real-time systems such as navigation systems in autonomous vehicles is still challenging due to the high complexity and computational demand of the existing methods. This study addresses current problems in reconstructing objects displayed in a single-view image in a faster (real-time) fashion. To this end, a simple yet powerful deep neural framework is developed. The proposed framework consists of two components: the feature extractor module and the 3D generator module. We use point cloud representation for the output of our reconstruction module. The ShapeNet dataset is utilized to compare the method with the existing results in terms of computation time and accuracy. Simulations demonstrate the superior performance of the proposed method. Index Terms-Real-time 3D reconstruction, single-view reconstruction, supervised learning, deep neural network

Wearable sensors have become ubiquitous thanks to a variety of health tracking features. The resulting continuous and longitudinal measurements from everyday life generate large volumes of data; however, making sense of these observations for scientific and actionable insights is non-trivial. Inspired by the empirical success of generative modeling, where large neural networks learn powerful representations from vast amounts of text, image, video, or audio data, we investigate the scaling properties of sensor foundation models across compute, data, and model size. Using a dataset of up to 40 million hours of in-situ heart rate, heart rate variability, electrodermal activity, accelerometer, skin temperature, and altimeter per-minute data from over 165,000 people, we create LSM, a multimodal foundation model built on the largest wearable-signals dataset with the most extensive range of sensor modalities to date. Our results establish the scaling laws of LSM for tasks such as imputation, interpolation and extrapolation, both across time and sensor modalities. Moreover, we highlight how LSM enables sample-efficient downstream learning for tasks like exercise and activity recognition.

Most generative models of audio directly generate samples in one of two domains: time or frequency. While sufficient to express any signal, these representations are inefficient, as they do not utilize existing knowledge of how sound is generated and perceived. A third approach (vocoders/synthesizers) successfully incorporates strong domain knowledge of signal processing and perception, but has been less actively researched due to limited expressivity and difficulty integrating with modern auto-differentiation-based machine learning methods. In this paper, we introduce the Differentiable Digital Signal Processing (DDSP) library, which enables direct integration of classic signal processing elements with deep learning methods. Focusing on audio synthesis, we achieve high-fidelity generation without the need for large autoregressive models or adversarial losses, demonstrating that DDSP enables utilizing strong inductive biases without losing the expressive power of neural networks. Further, we show that combining interpretable modules permits manipulation of each separate model component, with applications such as independent control of pitch and loudness, realistic extrapolation to pitches not seen during training, blind dereverberation of room acoustics, transfer of extracted room acoustics to new environments, and transformation of timbre between disparate sources. In short, DDSP enables an interpretable and modular approach to generative modeling, without sacrificing the benefits of deep learning. The library is publicly available at https://github.com/magenta/ddsp and we welcome further contributions from the community and domain experts.

Neurosymbolic (NeSy) frameworks combine neural representations and learning with symbolic representations and reasoning. Combining the reasoning capacities, explainability, and interpretability of symbolic processing with the flexibility and power of neural computing allows us to solve complex problems with more reliability while being data-efficient. However, this recently growing topic poses a challenge to developers with its learning curve, lack of user-friendly tools, libraries, and unifying frameworks. In this paper, we characterize the technical facets of existing NeSy frameworks, such as the symbolic representation language, integration with neural models, and the underlying algorithms. A majority of the NeSy research focuses on algorithms instead of providing generic frameworks for declarative problem specification to leverage problem solving. To highlight the key aspects of Neurosymbolic modeling, we showcase three generic NeSy frameworks - DeepProbLog, Scallop, and DomiKnowS. We identify the challenges within each facet that lay the foundation for identifying the expressivity of each framework in solving a variety of problems. Building on this foundation, we aim to spark transformative action and encourage the community to rethink this problem in novel ways.

Convolutional Neural Networks (CNN) have been regarded as a powerful class of models for image recognition problems. Nevertheless, it is not trivial when utilizing a CNN for learning spatio-temporal video representation. A few studies have shown that performing 3D convolutions is a rewarding approach to capture both spatial and temporal dimensions in videos. However, the development of a very deep 3D CNN from scratch results in expensive computational cost and memory demand. A valid question is why not recycle off-the-shelf 2D networks for a 3D CNN. In this paper, we devise multiple variants of bottleneck building blocks in a residual learning framework by simulating 3times3times3 convolutions with 1times3times3 convolutional filters on spatial domain (equivalent to 2D CNN) plus 3times1times1 convolutions to construct temporal connections on adjacent feature maps in time. Furthermore, we propose a new architecture, named Pseudo-3D Residual Net (P3D ResNet), that exploits all the variants of blocks but composes each in different placement of ResNet, following the philosophy that enhancing structural diversity with going deep could improve the power of neural networks. Our P3D ResNet achieves clear improvements on Sports-1M video classification dataset against 3D CNN and frame-based 2D CNN by 5.3% and 1.8%, respectively. We further examine the generalization performance of video representation produced by our pre-trained P3D ResNet on five different benchmarks and three different tasks, demonstrating superior performances over several state-of-the-art techniques.

Fault-tolerant quantum computers offer the promise of dramatically improving machine learning through speed-ups in computation or improved model scalability. In the near-term, however, the benefits of quantum machine learning are not so clear. Understanding expressibility and trainability of quantum models-and quantum neural networks in particular-requires further investigation. In this work, we use tools from information geometry to define a notion of expressibility for quantum and classical models. The effective dimension, which depends on the Fisher information, is used to prove a novel generalisation bound and establish a robust measure of expressibility. We show that quantum neural networks are able to achieve a significantly better effective dimension than comparable classical neural networks. To then assess the trainability of quantum models, we connect the Fisher information spectrum to barren plateaus, the problem of vanishing gradients. Importantly, certain quantum neural networks can show resilience to this phenomenon and train faster than classical models due to their favourable optimisation landscapes, captured by a more evenly spread Fisher information spectrum. Our work is the first to demonstrate that well-designed quantum neural networks offer an advantage over classical neural networks through a higher effective dimension and faster training ability, which we verify on real quantum hardware.

Graph Neural Networks (GNNs) are an effective framework for representation learning of graphs. GNNs follow a neighborhood aggregation scheme, where the representation vector of a node is computed by recursively aggregating and transforming representation vectors of its neighboring nodes. Many GNN variants have been proposed and have achieved state-of-the-art results on both node and graph classification tasks. However, despite GNNs revolutionizing graph representation learning, there is limited understanding of their representational properties and limitations. Here, we present a theoretical framework for analyzing the expressive power of GNNs to capture different graph structures. Our results characterize the discriminative power of popular GNN variants, such as Graph Convolutional Networks and GraphSAGE, and show that they cannot learn to distinguish certain simple graph structures. We then develop a simple architecture that is provably the most expressive among the class of GNNs and is as powerful as the Weisfeiler-Lehman graph isomorphism test. We empirically validate our theoretical findings on a number of graph classification benchmarks, and demonstrate that our model achieves state-of-the-art performance.

Graph neural networks (GNNs) are effective models for representation learning on relational data. However, standard GNNs are limited in their expressive power, as they cannot distinguish graphs beyond the capability of the Weisfeiler-Leman graph isomorphism heuristic. In order to break this expressiveness barrier, GNNs have been enhanced with random node initialization (RNI), where the idea is to train and run the models with randomized initial node features. In this work, we analyze the expressive power of GNNs with RNI, and prove that these models are universal, a first such result for GNNs not relying on computationally demanding higher-order properties. This universality result holds even with partially randomized initial node features, and preserves the invariance properties of GNNs in expectation. We then empirically analyze the effect of RNI on GNNs, based on carefully constructed datasets. Our empirical findings support the superior performance of GNNs with RNI over standard GNNs.

The separation power of a machine learning model refers to its ability to distinguish between different inputs and is often used as a proxy for its expressivity. Indeed, knowing the separation power of a family of models is a necessary condition to obtain fine-grained universality results. In this paper, we analyze the separation power of equivariant neural networks, such as convolutional and permutation-invariant networks. We first present a complete characterization of inputs indistinguishable by models derived by a given architecture. From this results, we derive how separability is influenced by hyperparameters and architectural choices-such as activation functions, depth, hidden layer width, and representation types. Notably, all non-polynomial activations, including ReLU and sigmoid, are equivalent in expressivity and reach maximum separation power. Depth improves separation power up to a threshold, after which further increases have no effect. Adding invariant features to hidden representations does not impact separation power. Finally, block decomposition of hidden representations affects separability, with minimal components forming a hierarchy in separation power that provides a straightforward method for comparing the separation power of models.

Quantum neural networks (QNNs) have emerged as a leading strategy to establish applications in machine learning, chemistry, and optimization. While the applications of QNN have been widely investigated, its theoretical foundation remains less understood. In this paper, we formulate a theoretical framework for the expressive ability of data re-uploading quantum neural networks that consist of interleaved encoding circuit blocks and trainable circuit blocks. First, we prove that single-qubit quantum neural networks can approximate any univariate function by mapping the model to a partial Fourier series. We in particular establish the exact correlations between the parameters of the trainable gates and the Fourier coefficients, resolving an open problem on the universal approximation property of QNN. Second, we discuss the limitations of single-qubit native QNNs on approximating multivariate functions by analyzing the frequency spectrum and the flexibility of Fourier coefficients. We further demonstrate the expressivity and limitations of single-qubit native QNNs via numerical experiments. We believe these results would improve our understanding of QNNs and provide a helpful guideline for designing powerful QNNs for machine learning tasks.

We investigate the expressive power of depth-2 bandlimited random neural networks. A random net is a neural network where the hidden layer parameters are frozen with random assignment, and only the output layer parameters are trained by loss minimization. Using random weights for a hidden layer is an effective method to avoid non-convex optimization in standard gradient descent learning. It has also been adopted in recent deep learning theories. Despite the well-known fact that a neural network is a universal approximator, in this study, we mathematically show that when hidden parameters are distributed in a bounded domain, the network may not achieve zero approximation error. In particular, we derive a new nontrivial approximation error lower bound. The proof utilizes the technique of ridgelet analysis, a harmonic analysis method designed for neural networks. This method is inspired by fundamental principles in classical signal processing, specifically the idea that signals with limited bandwidth may not always be able to perfectly recreate the original signal. We corroborate our theoretical results with various simulation studies, and generally, two main take-home messages are offered: (i) Not any distribution for selecting random weights is feasible to build a universal approximator; (ii) A suitable assignment of random weights exists but to some degree is associated with the complexity of the target function.

Transformer models typically calculate attention matrices using dot products, which have limitations when capturing nonlinear relationships between embedding vectors. We propose Neural Attention, a technique that replaces dot products with feed-forward networks, enabling a more expressive representation of relationships between tokens. This approach modifies only the attention matrix calculation while preserving the matrix dimensions, making it easily adaptable to existing transformer-based architectures. We provide a detailed mathematical justification for why Neural Attention increases representational capacity and conduct controlled experiments to validate this claim. When comparing Neural Attention and Dot-Product Attention, NLP experiments on WikiText-103 show a reduction in perplexity of over 5 percent. Similarly, experiments on CIFAR-10 and CIFAR-100 show comparable improvements for image classification tasks. While Neural Attention introduces higher computational demands, we develop techniques to mitigate these challenges, ensuring practical usability without sacrificing the increased expressivity it provides. This work establishes Neural Attention as an effective means of enhancing the predictive capabilities of transformer models across a variety of applications.

Widely observed neural scaling laws, in which error falls off as a power of the training set size, model size, or both, have driven substantial performance improvements in deep learning. However, these improvements through scaling alone require considerable costs in compute and energy. Here we focus on the scaling of error with dataset size and show how in theory we can break beyond power law scaling and potentially even reduce it to exponential scaling instead if we have access to a high-quality data pruning metric that ranks the order in which training examples should be discarded to achieve any pruned dataset size. We then test this improved scaling prediction with pruned dataset size empirically, and indeed observe better than power law scaling in practice on ResNets trained on CIFAR-10, SVHN, and ImageNet. Next, given the importance of finding high-quality pruning metrics, we perform the first large-scale benchmarking study of ten different data pruning metrics on ImageNet. We find most existing high performing metrics scale poorly to ImageNet, while the best are computationally intensive and require labels for every image. We therefore developed a new simple, cheap and scalable self-supervised pruning metric that demonstrates comparable performance to the best supervised metrics. Overall, our work suggests that the discovery of good data-pruning metrics may provide a viable path forward to substantially improved neural scaling laws, thereby reducing the resource costs of modern deep learning.

In quantitative finance, machine learning methods are essential for alpha generation. This study introduces a new approach that combines Hidden Markov Models (HMM) and neural networks, integrated with Black-Litterman portfolio optimization. During the COVID period (2019-2022), this dual-model approach achieved a 83% return with a Sharpe ratio of 0.77. It incorporates two risk models to enhance risk management, showing efficiency during volatile periods. The methodology was implemented on the QuantConnect platform, which was chosen for its robust framework and experimental reproducibility. The system, which predicts future price movements, includes a three-year warm-up to ensure proper algorithm function. It targets highly liquid, large-cap energy stocks to ensure stable and predictable performance while also considering broker payments. The dual-model alpha system utilizes log returns to select the optimal state based on the historical performance. It combines state predictions with neural network outputs, which are based on historical data, to generate trading signals. This study examined the architecture of the trading system, data pre-processing, training, and performance. The full code and backtesting data are available under the QuantConnect terms.

In this article we prove that the general transformer neural model undergirding modern large language models (LLMs) is Turing complete under reasonable assumptions. This is the first work to directly address the Turing completeness of the underlying technology employed in GPT-x as past work has focused on the more expressive, full auto-encoder transformer architecture. From this theoretical analysis, we show that the sparsity/compressibility of the word embedding is an important consideration for Turing completeness to hold. We also show that Transformers are are a variant of B machines studied by Hao Wang.

The DC Optimal Power Flow (DC-OPF) problem is fundamental to power system operations, requiring rapid solutions for real-time grid management. While traditional optimization solvers provide optimal solutions, their computational cost becomes prohibitive for large-scale systems requiring frequent recalculations. Machine learning approaches offer promise for acceleration but often struggle with constraint satisfaction and cost optimality. We present a novel two-stage learning framework that combines physics-informed Graph Neural Networks (GNNs) with Continuous Flow Matching (CFM) for solving DC-OPF problems. Our approach embeds fundamental physical principles--including economic dispatch optimality conditions, Kirchhoff's laws, and Karush-Kuhn-Tucker (KKT) complementarity conditions--directly into the training objectives. The first stage trains a GNN to produce feasible initial solutions by learning from physics-informed losses that encode power system constraints. The second stage employs CFM, a simulation-free continuous normalizing flow technique, to refine these solutions toward optimality through learned vector field regression. Evaluated on the IEEE 30-bus system across five load scenarios ranging from 70\% to 130\% nominal load, our method achieves near-optimal solutions with cost gaps below 0.1\% for nominal loads and below 3\% for extreme conditions, while maintaining 100\% feasibility. Our framework bridges the gap between fast but approximate neural network predictions and optimal but slow numerical solvers, offering a practical solution for modern power systems with high renewable penetration requiring frequent dispatch updates.

The expressive power of Graph Neural Networks (GNNs) has been studied extensively through the Weisfeiler-Leman (WL) graph isomorphism test. However, standard GNNs and the WL framework are inapplicable for geometric graphs embedded in Euclidean space, such as biomolecules, materials, and other physical systems. In this work, we propose a geometric version of the WL test (GWL) for discriminating geometric graphs while respecting the underlying physical symmetries: permutations, rotation, reflection, and translation. We use GWL to characterise the expressive power of geometric GNNs that are invariant or equivariant to physical symmetries in terms of distinguishing geometric graphs. GWL unpacks how key design choices influence geometric GNN expressivity: (1) Invariant layers have limited expressivity as they cannot distinguish one-hop identical geometric graphs; (2) Equivariant layers distinguish a larger class of graphs by propagating geometric information beyond local neighbourhoods; (3) Higher order tensors and scalarisation enable maximally powerful geometric GNNs; and (4) GWL's discrimination-based perspective is equivalent to universal approximation. Synthetic experiments supplementing our results are available at https://github.com/chaitjo/geometric-gnn-dojo

In this paper, we explore low-power custom quantised Multi-Layer Perceptrons (MLPs) as an Intrusion Detection System (IDS) for automotive controller area network (CAN). We utilise the FINN framework from AMD/Xilinx to quantise, train and generate hardware IP of our MLP to detect denial of service (DoS) and fuzzying attacks on CAN network, using ZCU104 (XCZU7EV) FPGA as our target ECU architecture with integrated IDS capabilities. Our approach achieves significant improvements in latency (0.12 ms per-message processing latency) and inference energy consumption (0.25 mJ per inference) while achieving similar classification performance as state-of-the-art approaches in the literature.

We study the memorization power of feedforward ReLU neural networks. We show that such networks can memorize any N points that satisfy a mild separability assumption using Oleft(Nright) parameters. Known VC-dimension upper bounds imply that memorizing N samples requires Omega(N) parameters, and hence our construction is optimal up to logarithmic factors. We also give a generalized construction for networks with depth bounded by 1 leq L leq N, for memorizing N samples using O(N/L) parameters. This bound is also optimal up to logarithmic factors. Our construction uses weights with large bit complexity. We prove that having such a large bit complexity is both necessary and sufficient for memorization with a sub-linear number of parameters.

Deep learning is widely used in wireless communications but struggles with fixed neural network sizes, which limit their adaptability in environments where the number of users and antennas varies. To overcome this, this paper introduced a generalization strategy for precoding and power allocation in scalable wireless networks. Initially, we employ an innovative approach to abstract the wireless network into a homogeneous graph. This primarily focuses on bypassing the heterogeneous features between transmitter (TX) and user entities to construct a virtual homogeneous graph serving optimization objectives, thereby enabling all nodes in the virtual graph to share the same neural network. This "TX entity" is known as a base station (BS) in cellular networks and an access point (AP) in cell-free networks. Subsequently, we design a universal graph neural network, termed the information carrying graph neural network (ICGNN), to capture and integrate information from this graph, maintaining permutation invariance. Lastly, using ICGNN as the core algorithm, we tailor the neural network's input and output for specific problem requirements and validate its performance in two scenarios: 1) in cellular networks, we develop a matrix-inverse-free multi-user multi-input multi-output (MU-MIMO) precoding scheme using the conjugate gradient (CG) method, adaptable to varying user and antenna numbers; 2) in a cell-free network, facing dynamic variations in the number of users served by APs, the number of APs serving each user, and the number of antennas per AP, we propose a universal power allocation scheme. Simulations demonstrate that the proposed approach not only significantly reduces computational complexity but also achieves, and potentially exceeds, the spectral efficiency (SE) of conventional algorithms.

Attention models have become a crucial component in neural machine translation (NMT). They are often implicitly or explicitly used to justify the model's decision in generating a specific token but it has not yet been rigorously established to what extent attention is a reliable source of information in NMT. To evaluate the explanatory power of attention for NMT, we examine the possibility of yielding the same prediction but with counterfactual attention models that modify crucial aspects of the trained attention model. Using these counterfactual attention mechanisms we assess the extent to which they still preserve the generation of function and content words in the translation process. Compared to a state of the art attention model, our counterfactual attention models produce 68% of function words and 21% of content words in our German-English dataset. Our experiments demonstrate that attention models by themselves cannot reliably explain the decisions made by a NMT model.

While the uncertainty in generation and demand increases, accurately estimating the dynamic characteristics of power systems becomes crucial for employing the appropriate control actions to maintain their stability. In our previous work, we have shown that Bayesian Physics-informed Neural Networks (BPINNs) outperform conventional system identification methods in identifying the power system dynamic behavior under measurement noise. This paper takes the next natural step and addresses the more significant challenge, exploring how BPINN perform in estimating power system dynamics under increasing uncertainty from many Inverter-based Resources (IBRs) connected to the grid. These introduce a different type of uncertainty, compared to noisy measurements. The BPINN combines the advantages of Physics-informed Neural Networks (PINNs), such as inverse problem applicability, with Bayesian approaches for uncertainty quantification. We explore the BPINN performance on a wide range of systems, starting from a single machine infinite bus (SMIB) system and 3-bus system to extract important insights, to the 14-bus CIGRE distribution grid, and the large IEEE 118-bus system. We also investigate approaches that can accelerate the BPINN training, such as pretraining and transfer learning. Throughout this paper, we show that in presence of uncertainty, the BPINN achieves orders of magnitude lower errors than the widely popular method for system identification SINDy and significantly lower errors than PINN, while transfer learning helps reduce training time by up to 80 %.

Model extraction is a growing concern for the security of AI systems. For deep neural network models, the architecture is the most important information an adversary aims to recover. Being a sequence of repeated computation blocks, neural network models deployed on edge-devices will generate distinctive side-channel leakages. The latter can be exploited to extract critical information when targeted platforms are physically accessible. By combining theoretical knowledge about deep learning practices and analysis of a widespread implementation library (ARM CMSIS-NN), our purpose is to answer this critical question: how far can we extract architecture information by simply examining an EM side-channel trace? For the first time, we propose an extraction methodology for traditional MLP and CNN models running on a high-end 32-bit microcontroller (Cortex-M7) that relies only on simple pattern recognition analysis. Despite few challenging cases, we claim that, contrary to parameters extraction, the complexity of the attack is relatively low and we highlight the urgent need for practicable protections that could fit the strong memory and latency requirements of such platforms.

Machine Learning (ML) functions are becoming ubiquitous in latency- and privacy-sensitive IoT applications, prompting a shift toward near-sensor processing at the extreme edge and the consequent increasing adoption of Parallel Ultra-Low Power (PULP) IoT processors. These compute- and memory-constrained parallel architectures need to run efficiently a wide range of algorithms, including key Non-Neural ML kernels that compete favorably with Deep Neural Networks (DNNs) in terms of accuracy under severe resource constraints. In this paper, we focus on enabling efficient parallel execution of Non-Neural ML algorithms on two RISCV-based PULP platforms, namely GAP8, a commercial chip, and PULP-OPEN, a research platform running on an FPGA emulator. We optimized the parallel algorithms through a fine-grained analysis and intensive optimization to maximize the speedup, considering two alternative Floating-Point (FP) emulation libraries on GAP8 and the native FPU support on PULP-OPEN. Experimental results show that a target-optimized emulation library can lead to an average 1.61x runtime improvement and 37% energy reduction compared to a standard emulation library, while the native FPU support reaches up to 32.09x and 99%, respectively. In terms of parallel speedup, our design improves the sequential execution by 7.04x on average on the targeted octa-core platforms leading to energy and latency decrease up to 87%. Lastly, we present a comparison with the ARM Cortex-M4 microcontroller (MCU), a widely adopted commercial solution for edge deployments, which is 12.87x slower and 98% less energy-efficient than PULP-OPEN.

The power of quantum computers is still somewhat speculative. While they are certainly faster than classical ones at some tasks, the class of problems they can efficiently solve has not been mapped definitively onto known classical complexity theory. This means that we do not know for which calculations there will be a "quantum advantage," once an algorithm is found. One way to answer the question is to find those algorithms, but finding truly quantum algorithms turns out to be very difficult. In previous work over the past three decades we have pursued the idea of using techniques of machine learning to develop algorithms for quantum computing. Here we compare the performance of standard real- and complex-valued classical neural networks with that of one of our models for a quantum neural network, on both classical problems and on an archetypal quantum problem: the computation of an entanglement witness. The quantum network is shown to need far fewer epochs and a much smaller network to achieve comparable or better results.

Understanding and modeling lighting effects are fundamental tasks in computer vision and graphics. Classic physically-based rendering (PBR) accurately simulates the light transport, but relies on precise scene representations--explicit 3D geometry, high-quality material properties, and lighting conditions--that are often impractical to obtain in real-world scenarios. Therefore, we introduce DiffusionRenderer, a neural approach that addresses the dual problem of inverse and forward rendering within a holistic framework. Leveraging powerful video diffusion model priors, the inverse rendering model accurately estimates G-buffers from real-world videos, providing an interface for image editing tasks, and training data for the rendering model. Conversely, our rendering model generates photorealistic images from G-buffers without explicit light transport simulation. Experiments demonstrate that DiffusionRenderer effectively approximates inverse and forwards rendering, consistently outperforming the state-of-the-art. Our model enables practical applications from a single video input--including relighting, material editing, and realistic object insertion.

Graph Neural Networks operate through bottom-up message-passing, fundamentally differing from human visual perception, which intuitively captures global structures first. We investigate the underappreciated potential of vision models for graph understanding, finding they achieve performance comparable to GNNs on established benchmarks while exhibiting distinctly different learning patterns. These divergent behaviors, combined with limitations of existing benchmarks that conflate domain features with topological understanding, motivate our introduction of GraphAbstract. This benchmark evaluates models' ability to perceive global graph properties as humans do: recognizing organizational archetypes, detecting symmetry, sensing connectivity strength, and identifying critical elements. Our results reveal that vision models significantly outperform GNNs on tasks requiring holistic structural understanding and maintain generalizability across varying graph scales, while GNNs struggle with global pattern abstraction and degrade with increasing graph size. This work demonstrates that vision models possess remarkable yet underutilized capabilities for graph structural understanding, particularly for problems requiring global topological awareness and scale-invariant reasoning. These findings open new avenues to leverage this underappreciated potential for developing more effective graph foundation models for tasks dominated by holistic pattern recognition.

Parameter-shared pre-trained language models (PLMs) have emerged as a successful approach in resource-constrained environments, enabling substantial reductions in model storage and memory costs without significant performance compromise. However, it is important to note that parameter sharing does not alleviate computational burdens associated with inference, thus impeding its practicality in situations characterized by limited stringent latency requirements or computational resources. Building upon neural ordinary differential equations (ODEs), we introduce a straightforward technique to enhance the inference efficiency of parameter-shared PLMs. Additionally, we propose a simple pre-training technique that leads to fully or partially shared models capable of achieving even greater inference acceleration. The experimental results demonstrate the effectiveness of our methods on both autoregressive and autoencoding PLMs, providing novel insights into more efficient utilization of parameter-shared models in resource-constrained settings.

We propose the Neural Logic Machine (NLM), a neural-symbolic architecture for both inductive learning and logic reasoning. NLMs exploit the power of both neural networks---as function approximators, and logic programming---as a symbolic processor for objects with properties, relations, logic connectives, and quantifiers. After being trained on small-scale tasks (such as sorting short arrays), NLMs can recover lifted rules, and generalize to large-scale tasks (such as sorting longer arrays). In our experiments, NLMs achieve perfect generalization in a number of tasks, from relational reasoning tasks on the family tree and general graphs, to decision making tasks including sorting arrays, finding shortest paths, and playing the blocks world. Most of these tasks are hard to accomplish for neural networks or inductive logic programming alone.

Neural implicit fields are powerful for representing 3D scenes and generating high-quality novel views, but it remains challenging to use such implicit representations for creating a 3D human avatar with a specific identity and artistic style that can be easily animated. Our proposed method, AvatarCraft, addresses this challenge by using diffusion models to guide the learning of geometry and texture for a neural avatar based on a single text prompt. We carefully design the optimization framework of neural implicit fields, including a coarse-to-fine multi-bounding box training strategy, shape regularization, and diffusion-based constraints, to produce high-quality geometry and texture. Additionally, we make the human avatar animatable by deforming the neural implicit field with an explicit warping field that maps the target human mesh to a template human mesh, both represented using parametric human models. This simplifies animation and reshaping of the generated avatar by controlling pose and shape parameters. Extensive experiments on various text descriptions show that AvatarCraft is effective and robust in creating human avatars and rendering novel views, poses, and shapes. Our project page is: https://avatar-craft.github.io/.

Graph Neural Networks have gained huge interest in the past few years. These powerful algorithms expanded deep learning models to non-Euclidean space and were able to achieve state of art performance in various applications including recommender systems and social networks. However, this performance is based on static graph structures assumption which limits the Graph Neural Networks performance when the data varies with time. Spatiotemporal Graph Neural Networks are extension of Graph Neural Networks that takes the time factor into account. Recently, various Spatiotemporal Graph Neural Network algorithms were proposed and achieved superior performance compared to other deep learning algorithms in several time dependent applications. This survey discusses interesting topics related to Spatiotemporal Graph Neural Networks, including algorithms, applications, and open challenges.

Gravitational-wave approximants are essential for gravitational-wave astronomy, allowing the coverage binary black hole parameter space for inference or match filtering without costly numerical relativity (NR) simulations, but generally trading some accuracy for computational efficiency. To reduce this trade-off, NR surrogate models can be constructed using interpolation within NR waveform space. We present a 2-stage training approach for neural network-based NR surrogate models. Initially trained on approximant-generated waveforms and then fine-tuned with NR data, these dual-stage artificial neural surrogate (DANSur) models offer rapid and competitively accurate waveform generation, generating millions in under 20ms on a GPU while keeping mean mismatches with NR around 10^{-4}. Implemented in the bilby framework, we show they can be used for parameter estimation tasks.

Recent developments in natural language generation (NLG) using neural language models have brought us closer than ever to the goal of building AI-powered creative writing tools. However, most prior work on human-AI collaboration in the creative writing domain has evaluated new systems with amateur writers, typically in contrived user studies of limited scope. In this work, we commissioned 13 professional, published writers from a diverse set of creative writing backgrounds to craft stories using Wordcraft, a text editor with built-in AI-powered writing assistance tools. Using interviews and participant journals, we discuss the potential of NLG to have significant impact in the creative writing domain--especially with respect to brainstorming, generation of story details, world-building, and research assistance. Experienced writers, more so than amateurs, typically have well-developed systems and methodologies for writing, as well as distinctive voices and target audiences. Our work highlights the challenges in building for these writers; NLG technologies struggle to preserve style and authorial voice, and they lack deep understanding of story contents. In order for AI-powered writing assistants to realize their full potential, it is essential that they take into account the diverse goals and expertise of human writers.

Learning powerful data embeddings has become a center piece in machine learning, especially in natural language processing and computer vision domains. The crux of these embeddings is that they are pretrained on huge corpus of data in a unsupervised fashion, sometimes aided with transfer learning. However currently in the graph learning domain, embeddings learned through existing graph neural networks (GNNs) are task dependent and thus cannot be shared across different datasets. In this paper, we present a first powerful and theoretically guaranteed graph neural network that is designed to learn task-independent graph embeddings, thereafter referred to as deep universal graph embedding (DUGNN). Our DUGNN model incorporates a novel graph neural network (as a universal graph encoder) and leverages rich Graph Kernels (as a multi-task graph decoder) for both unsupervised learning and (task-specific) adaptive supervised learning. By learning task-independent graph embeddings across diverse datasets, DUGNN also reaps the benefits of transfer learning. Through extensive experiments and ablation studies, we show that the proposed DUGNN model consistently outperforms both the existing state-of-art GNN models and Graph Kernels by an increased accuracy of 3% - 8% on graph classification benchmark datasets.

Although Maxwell discovered the physical laws of electromagnetic waves 160 years ago, how to precisely model the propagation of an RF signal in an electrically large and complex environment remains a long-standing problem. The difficulty is in the complex interactions between the RF signal and the obstacles (e.g., reflection, diffraction, etc.). Inspired by the great success of using a neural network to describe the optical field in computer vision, we propose a neural radio-frequency radiance field, NeRF^2, which represents a continuous volumetric scene function that makes sense of an RF signal's propagation. Particularly, after training with a few signal measurements, NeRF^2 can tell how/what signal is received at any position when it knows the position of a transmitter. As a physical-layer neural network, NeRF^2 can take advantage of the learned statistic model plus the physical model of ray tracing to generate a synthetic dataset that meets the training demands of application-layer artificial neural networks (ANNs). Thus, we can boost the performance of ANNs by the proposed turbo-learning, which mixes the true and synthetic datasets to intensify the training. Our experiment results show that turbo-learning can enhance performance with an approximate 50% increase. We also demonstrate the power of NeRF^2 in the field of indoor localization and 5G MIMO.

Rendering moving human bodies at free viewpoints only from a monocular video is quite a challenging problem. The information is too sparse to model complicated human body structures and motions from both view and pose dimensions. Neural radiance fields (NeRF) have shown great power in novel view synthesis and have been applied to human body rendering. However, most current NeRF-based methods bear huge costs for both training and rendering, which impedes the wide applications in real-life scenarios. In this paper, we propose a rendering framework that can learn moving human body structures extremely quickly from a monocular video. The framework is built by integrating both neural fields and neural voxels. Especially, a set of generalizable neural voxels are constructed. With pretrained on various human bodies, these general voxels represent a basic skeleton and can provide strong geometric priors. For the fine-tuning process, individual voxels are constructed for learning differential textures, complementary to general voxels. Thus learning a novel body can be further accelerated, taking only a few minutes. Our method shows significantly higher training efficiency compared with previous methods, while maintaining similar rendering quality. The project page is at https://taoranyi.com/gneuvox .

Solving the optimal power flow (OPF) problem in real-time electricity market improves the efficiency and reliability in the integration of low-carbon energy resources into the power grids. To address the scalability and adaptivity issues of existing end-to-end OPF learning solutions, we propose a new graph neural network (GNN) framework for predicting the electricity market prices from solving OPFs. The proposed GNN-for-OPF framework innovatively exploits the locality property of prices and introduces physics-aware regularization, while attaining reduced model complexity and fast adaptivity to varying grid topology. Numerical tests have validated the learning efficiency and adaptivity improvements of our proposed method over existing approaches.

Neural Architecture Search (NAS) has demonstrated its power on various AI accelerating platforms such as Field Programmable Gate Arrays (FPGAs) and Graphic Processing Units (GPUs). However, it remains an open problem, how to integrate NAS with Application-Specific Integrated Circuits (ASICs), despite them being the most powerful AI accelerating platforms. The major bottleneck comes from the large design freedom associated with ASIC designs. Moreover, with the consideration that multiple DNNs will run in parallel for different workloads with diverse layer operations and sizes, integrating heterogeneous ASIC sub-accelerators for distinct DNNs in one design can significantly boost performance, and at the same time further complicate the design space. To address these challenges, in this paper we build ASIC template set based on existing successful designs, described by their unique dataflows, so that the design space is significantly reduced. Based on the templates, we further propose a framework, namely NASAIC, which can simultaneously identify multiple DNN architectures and the associated heterogeneous ASIC accelerator design, such that the design specifications (specs) can be satisfied, while the accuracy can be maximized. Experimental results show that compared with successive NAS and ASIC design optimizations which lead to design spec violations, NASAIC can guarantee the results to meet the design specs with 17.77%, 2.49x, and 2.32x reductions on latency, energy, and area and with 0.76% accuracy loss. To the best of the authors' knowledge, this is the first work on neural architecture and ASIC accelerator design co-exploration.

Quantization Aware Training (QAT) is a neural network quantization technique that compresses model size and improves operational efficiency while effectively maintaining model performance. The paradigm of QAT is to introduce fake quantization operators during the training process, allowing the model to autonomously compensate for information loss caused by quantization. Making quantization parameters trainable can significantly improve the performance of QAT, but at the cost of compromising the flexibility during inference, especially when dealing with activation values with substantially different distributions. In this paper, we propose an effective learnable adaptive neural network quantization method, called Adaptive Step Size Quantization (ASQ), to resolve this conflict. Specifically, the proposed ASQ method first dynamically adjusts quantization scaling factors through a trained module capable of accommodating different activations. Then, to address the rigid resolution issue inherent in Power of Two (POT) quantization, we propose an efficient non-uniform quantization scheme. We utilize the Power Of Square root of Two (POST) as the basis for exponential quantization, effectively handling the bell-shaped distribution of neural network weights across various bit-widths while maintaining computational efficiency through a Look-Up Table method (LUT). Extensive experimental results demonstrate that the proposed ASQ method is superior to the state-of-the-art QAT approaches. Notably that the ASQ is even competitive compared to full precision baselines, with its 4-bit quantized ResNet34 model improving accuracy by 1.2\% on ImageNet.

This paper introduces a novel Hamiltonian-inspired neural network approach to credit scoring, designed to address the challenges of class imbalance and out-of-time (OOT) prediction in financial risk management. Drawing from concepts in Hamiltonian mechanics, we develop a symplectic optimizer and a new loss function to capture the complex dynamics of credit risk evolution. Using the Freddie Mac Single-Family Loan-Level Dataset, we evaluate our model's performance against other machine learning approaches. Our method shows superior discriminative power in OOT scenarios, as measured by the Area Under the Curve (AUC), indicating better ranking ability and robustness to class imbalance. The Hamiltonian-inspired approach shows particular strength in maintaining consistent performance between in-sample and OOT test sets, suggesting improved generalization to future, unseen data. These findings suggest that physics-inspired techniques offer a promising direction for developing more robust and reliable credit scoring models, particularly in uncertain economic situations.

Neural networks often suffer from catastrophic interference (CI): performance on previously learned tasks drops off significantly when learning a new task. This contrasts strongly with humans, who can sequentially learn new tasks without appreciably forgetting previous tasks. Prior work has explored various techniques for mitigating CI such as regularization, rehearsal, generative replay, and distillation methods. The current work takes a different approach, one guided by cognitive science research showing that in naturalistic environments, the probability of encountering a task decreases as a power-law of the time since it was last performed. We argue that a realistic evaluation of techniques for the mitigation of CI should be performed in simulated naturalistic learning environments. Thus, we evaluate the extent of mitigation of CI when training simple rehearsal-based methods in power-law environments similar to the ones humans face. Our work explores this novel rehearsal-based approach for a domain-incremental task: learning permutations in the MNIST task. We compare our rehearsal environment with other baselines to show its efficacy in promoting continual learning. Additionally, we investigate whether this environment shows forward facilitation, i.e., faster learning of later tasks. Next, we explore the robustness of our learning environment to the number of tasks, model size, and amount of data rehearsed after each task. Notably, our results show that the performance is comparable or superior to that of models trained using popular regularization methods and also to rehearsals in non-power-law environments. The benefits of this training paradigm include simplicity and the lack of a need for extra neural circuitry. In addition, because our method is orthogonal to other methods, future research can combine training in power-law environments with other continual learning mechanisms.

The expressivity of Graph Neural Networks (GNNs) has been studied broadly in recent years to reveal the design principles for more powerful GNNs. Graph canonization is known as a typical approach to distinguish non-isomorphic graphs, yet rarely adopted when developing expressive GNNs. This paper proposes to maximize the expressivity of GNNs by graph canonization, then the power of such GNNs is studies from the perspective of model stability. A stable GNN will map similar graphs to close graph representations in the vectorial space, and the stability of GNNs is critical to generalize their performance to unseen graphs. We theoretically reveal the trade-off of expressivity and stability in graph-canonization-enhanced GNNs. Then we introduce a notion of universal graph canonization as the general solution to address the trade-off and characterize a widely applicable sufficient condition to solve the universal graph canonization. A comprehensive set of experiments demonstrates the effectiveness of the proposed method. In many popular graph benchmark datasets, graph canonization successfully enhances GNNs and provides highly competitive performance, indicating the capability and great potential of proposed method in general graph representation learning. In graph datasets where the sufficient condition holds, GNNs enhanced by universal graph canonization consistently outperform GNN baselines and successfully improve the SOTA performance up to 31%, providing the optimal solution to numerous challenging real-world graph analytical tasks like gene network representation learning in bioinformatics.

Implicit neural representations (INR) have gained significant popularity for signal and image representation for many end-tasks, such as superresolution, 3D modeling, and more. Most INR architectures rely on sinusoidal positional encoding, which accounts for high-frequency information in data. However, the finite encoding size restricts the model's representational power. Higher representational power is needed to go from representing a single given image to representing large and diverse datasets. Our approach addresses this gap by representing an image with a polynomial function and eliminates the need for positional encodings. Therefore, to achieve a progressively higher degree of polynomial representation, we use element-wise multiplications between features and affine-transformed coordinate locations after every ReLU layer. The proposed method is evaluated qualitatively and quantitatively on large datasets like ImageNet. The proposed Poly-INR model performs comparably to state-of-the-art generative models without any convolution, normalization, or self-attention layers, and with far fewer trainable parameters. With much fewer training parameters and higher representative power, our approach paves the way for broader adoption of INR models for generative modeling tasks in complex domains. The code is available at https://github.com/Rajhans0/Poly_INR

Following the traditional paradigm of convolutional neural networks (CNNs), modern CNNs manage to keep pace with more recent, for example transformer-based, models by not only increasing model depth and width but also the kernel size. This results in large amounts of learnable model parameters that need to be handled during training. While following the convolutional paradigm with the according spatial inductive bias, we question the significance of learned convolution filters. In fact, our findings demonstrate that many contemporary CNN architectures can achieve high test accuracies without ever updating randomly initialized (spatial) convolution filters. Instead, simple linear combinations (implemented through efficient 1times 1 convolutions) suffice to effectively recombine even random filters into expressive network operators. Furthermore, these combinations of random filters can implicitly regularize the resulting operations, mitigating overfitting and enhancing overall performance and robustness. Conversely, retaining the ability to learn filter updates can impair network performance. Lastly, although we only observe relatively small gains from learning 3times 3 convolutions, the learning gains increase proportionally with kernel size, owing to the non-idealities of the independent and identically distributed (i.i.d.) nature of default initialization techniques.

Deep neural networks (DNN) can approximate value functions or policies for reinforcement learning, which makes the reinforcement learning algorithms more powerful. However, some DNNs, such as convolutional neural networks (CNN), cannot extract enough information or take too long to obtain enough features from the inputs under specific circumstances of reinforcement learning. For example, the input data of Google Research Football, a reinforcement learning environment which trains agents to play football, is the small map of players' locations. The information is contained not only in the coordinates of players, but also in the relationships between different players. CNNs can neither extract enough information nor take too long to train. To address this issue, this paper proposes a deep q-learning network (DQN) with a graph neural network (GNN) as its model. The GNN transforms the input data into a graph which better represents the football players' locations so that it extracts more information of the interactions between different players. With two GNNs to approximate its local and target value functions, this DQN allows players to learn from their experience by using value functions to see the prospective value of each intended action. The proposed model demonstrated the power of GNN in the football game by outperforming other DRL models with significantly fewer steps.

While neural networks have advanced the frontiers in many applications, they often come at a high computational cost. Reducing the power and latency of neural network inference is key if we want to integrate modern networks into edge devices with strict power and compute requirements. Neural network quantization is one of the most effective ways of achieving these savings but the additional noise it induces can lead to accuracy degradation. In this white paper, we introduce state-of-the-art algorithms for mitigating the impact of quantization noise on the network's performance while maintaining low-bit weights and activations. We start with a hardware motivated introduction to quantization and then consider two main classes of algorithms: Post-Training Quantization (PTQ) and Quantization-Aware-Training (QAT). PTQ requires no re-training or labelled data and is thus a lightweight push-button approach to quantization. In most cases, PTQ is sufficient for achieving 8-bit quantization with close to floating-point accuracy. QAT requires fine-tuning and access to labeled training data but enables lower bit quantization with competitive results. For both solutions, we provide tested pipelines based on existing literature and extensive experimentation that lead to state-of-the-art performance for common deep learning models and tasks.

Deep Neural Networks (DNN) have achieved state-of-the-art results in a wide range of tasks, with the best results obtained with large training sets and large models. In the past, GPUs enabled these breakthroughs because of their greater computational speed. In the future, faster computation at both training and test time is likely to be crucial for further progress and for consumer applications on low-power devices. As a result, there is much interest in research and development of dedicated hardware for Deep Learning (DL). Binary weights, i.e., weights which are constrained to only two possible values (e.g. -1 or 1), would bring great benefits to specialized DL hardware by replacing many multiply-accumulate operations by simple accumulations, as multipliers are the most space and power-hungry components of the digital implementation of neural networks. We introduce BinaryConnect, a method which consists in training a DNN with binary weights during the forward and backward propagations, while retaining precision of the stored weights in which gradients are accumulated. Like other dropout schemes, we show that BinaryConnect acts as regularizer and we obtain near state-of-the-art results with BinaryConnect on the permutation-invariant MNIST, CIFAR-10 and SVHN.

Neural rendering, particularly 3D Gaussian Splatting (3DGS), has evolved rapidly and become a key component for building world models. However, existing viewer solutions remain fragmented, heavy, or constrained by legacy pipelines, resulting in high deployment friction and limited support for dynamic content and generative models. In this work, we present Visionary, an open, web-native platform for real-time various Gaussian Splatting and meshes rendering. Built on an efficient WebGPU renderer with per-frame ONNX inference, Visionary enables dynamic neural processing while maintaining a lightweight, "click-to-run" browser experience. It introduces a standardized Gaussian Generator contract, which not only supports standard 3DGS rendering but also allows plug-and-play algorithms to generate or update Gaussians each frame. Such inference also enables us to apply feedforward generative post-processing. The platform further offers a plug in three.js library with a concise TypeScript API for seamless integration into existing web applications. Experiments show that, under identical 3DGS assets, Visionary achieves superior rendering efficiency compared to current Web viewers due to GPU-based primitive sorting. It already supports multiple variants, including MLP-based 3DGS, 4DGS, neural avatars, and style transformation or enhancement networks. By unifying inference and rendering directly in the browser, Visionary significantly lowers the barrier to reproduction, comparison, and deployment of 3DGS-family methods, serving as a unified World Model Carrier for both reconstructive and generative paradigms.

Neural Radiance Fields (NeRFs) have proven to be powerful 3D representations, capable of high quality novel view synthesis of complex scenes. While NeRFs have been applied to graphics, vision, and robotics, problems with slow rendering speed and characteristic visual artifacts prevent adoption in many use cases. In this work, we investigate combining an autoencoder (AE) with a NeRF, in which latent features (instead of colours) are rendered and then convolutionally decoded. The resulting latent-space NeRF can produce novel views with higher quality than standard colour-space NeRFs, as the AE can correct certain visual artifacts, while rendering over three times faster. Our work is orthogonal to other techniques for improving NeRF efficiency. Further, we can control the tradeoff between efficiency and image quality by shrinking the AE architecture, achieving over 13 times faster rendering with only a small drop in performance. We hope that our approach can form the basis of an efficient, yet high-fidelity, 3D scene representation for downstream tasks, especially when retaining differentiability is useful, as in many robotics scenarios requiring continual learning.

Neural surface reconstruction has been shown to be powerful for recovering dense 3D surfaces via image-based neural rendering. However, current methods struggle to recover detailed structures of real-world scenes. To address the issue, we present Neuralangelo, which combines the representation power of multi-resolution 3D hash grids with neural surface rendering. Two key ingredients enable our approach: (1) numerical gradients for computing higher-order derivatives as a smoothing operation and (2) coarse-to-fine optimization on the hash grids controlling different levels of details. Even without auxiliary inputs such as depth, Neuralangelo can effectively recover dense 3D surface structures from multi-view images with fidelity significantly surpassing previous methods, enabling detailed large-scale scene reconstruction from RGB video captures.

Deep Neural Networks (DNNs) are powerful models that have achieved excellent performance on difficult learning tasks. Although DNNs work well whenever large labeled training sets are available, they cannot be used to map sequences to sequences. In this paper, we present a general end-to-end approach to sequence learning that makes minimal assumptions on the sequence structure. Our method uses a multilayered Long Short-Term Memory (LSTM) to map the input sequence to a vector of a fixed dimensionality, and then another deep LSTM to decode the target sequence from the vector. Our main result is that on an English to French translation task from the WMT'14 dataset, the translations produced by the LSTM achieve a BLEU score of 34.8 on the entire test set, where the LSTM's BLEU score was penalized on out-of-vocabulary words. Additionally, the LSTM did not have difficulty on long sentences. For comparison, a phrase-based SMT system achieves a BLEU score of 33.3 on the same dataset. When we used the LSTM to rerank the 1000 hypotheses produced by the aforementioned SMT system, its BLEU score increases to 36.5, which is close to the previous best result on this task. The LSTM also learned sensible phrase and sentence representations that are sensitive to word order and are relatively invariant to the active and the passive voice. Finally, we found that reversing the order of the words in all source sentences (but not target sentences) improved the LSTM's performance markedly, because doing so introduced many short term dependencies between the source and the target sentence which made the optimization problem easier.

Neural Radiance Fields (NeRF) have emerged as a powerful representation for the task of novel view synthesis due to their simplicity and state-of-the-art performance. Though NeRF can produce photorealistic renderings of unseen viewpoints when many input views are available, its performance drops significantly when this number is reduced. We observe that the majority of artifacts in sparse input scenarios are caused by errors in the estimated scene geometry, and by divergent behavior at the start of training. We address this by regularizing the geometry and appearance of patches rendered from unobserved viewpoints, and annealing the ray sampling space during training. We additionally use a normalizing flow model to regularize the color of unobserved viewpoints. Our model outperforms not only other methods that optimize over a single scene, but in many cases also conditional models that are extensively pre-trained on large multi-view datasets.

Human pose estimation (HPE) in the top-view using fisheye cameras presents a promising and innovative application domain. However, the availability of datasets capturing this viewpoint is extremely limited, especially those with high-quality 2D and 3D keypoint annotations. Addressing this gap, we leverage the capabilities of Neural Radiance Fields (NeRF) technique to establish a comprehensive pipeline for generating human pose datasets from existing 2D and 3D datasets, specifically tailored for the top-view fisheye perspective. Through this pipeline, we create a novel dataset NToP570K (NeRF-powered Top-view human Pose dataset for fisheye cameras with over 570 thousand images), and conduct an extensive evaluation of its efficacy in enhancing neural networks for 2D and 3D top-view human pose estimation. A pretrained ViTPose-B model achieves an improvement in AP of 33.3 % on our validation set for 2D HPE after finetuning on our training set. A similarly finetuned HybrIK-Transformer model gains 53.7 mm reduction in PA-MPJPE for 3D HPE on the validation set.

Symbolic regression (SR) is a powerful technique for discovering the underlying mathematical expressions from observed data. Inspired by the success of deep learning, recent efforts have focused on two categories for SR methods. One is using a neural network or genetic programming to search the expression tree directly. Although this has shown promising results, the large search space poses difficulties in learning constant factors and processing high-dimensional problems. Another approach is leveraging a transformer-based model training on synthetic data and offers advantages in inference speed. However, this method is limited to fixed small numbers of dimensions and may encounter inference problems when given data is out-of-distribution compared to the synthetic data. In this work, we propose DySymNet, a novel neural-guided Dynamic Symbolic Network for SR. Instead of searching for expressions within a large search space, we explore DySymNet with various structures and optimize them to identify expressions that better-fitting the data. With a topology structure like neural networks, DySymNet not only tackles the challenge of high-dimensional problems but also proves effective in optimizing constants. Based on extensive numerical experiments using low-dimensional public standard benchmarks and the well-known SRBench with more variables, our method achieves state-of-the-art performance in terms of fitting accuracy and robustness to noise.

Sparse neural networks are a key factor in developing resource-efficient machine learning applications. We propose the novel and powerful sparse learning method Adaptive Regularized Training (ART) to compress dense into sparse networks. Instead of the commonly used binary mask during training to reduce the number of model weights, we inherently shrink weights close to zero in an iterative manner with increasing weight regularization. Our method compresses the pre-trained model knowledge into the weights of highest magnitude. Therefore, we introduce a novel regularization loss named HyperSparse that exploits the highest weights while conserving the ability of weight exploration. Extensive experiments on CIFAR and TinyImageNet show that our method leads to notable performance gains compared to other sparsification methods, especially in extremely high sparsity regimes up to 99.8 percent model sparsity. Additional investigations provide new insights into the patterns that are encoded in weights with high magnitudes.

Graph neural networks (GNNs) have recently become the standard approach for learning with graph-structured data. Prior work has shed light into their potential, but also their limitations. Unfortunately, it was shown that standard GNNs are limited in their expressive power. These models are no more powerful than the 1-dimensional Weisfeiler-Leman (1-WL) algorithm in terms of distinguishing non-isomorphic graphs. In this paper, we propose Path Neural Networks (PathNNs), a model that updates node representations by aggregating paths emanating from nodes. We derive three different variants of the PathNN model that aggregate single shortest paths, all shortest paths and all simple paths of length up to K. We prove that two of these variants are strictly more powerful than the 1-WL algorithm, and we experimentally validate our theoretical results. We find that PathNNs can distinguish pairs of non-isomorphic graphs that are indistinguishable by 1-WL, while our most expressive PathNN variant can even distinguish between 3-WL indistinguishable graphs. The different PathNN variants are also evaluated on graph classification and graph regression datasets, where in most cases, they outperform the baseline methods.

Deep Neural Network (DNN) is powerful but computationally expensive and memory intensive, thus impeding its practical usage on resource-constrained front-end devices. DNN pruning is an approach for deep model compression, which aims at eliminating some parameters with tolerable performance degradation. In this paper, we propose a novel momentum-SGD-based optimization method to reduce the network complexity by on-the-fly pruning. Concretely, given a global compression ratio, we categorize all the parameters into two parts at each training iteration which are updated using different rules. In this way, we gradually zero out the redundant parameters, as we update them using only the ordinary weight decay but no gradients derived from the objective function. As a departure from prior methods that require heavy human works to tune the layer-wise sparsity ratios, prune by solving complicated non-differentiable problems or finetune the model after pruning, our method is characterized by 1) global compression that automatically finds the appropriate per-layer sparsity ratios; 2) end-to-end training; 3) no need for a time-consuming re-training process after pruning; and 4) superior capability to find better winning tickets which have won the initialization lottery.

The Unconstrained Feature Model (UFM) is a mathematical framework that enables closed-form approximations for minimal training loss and related performance measures in deep neural networks (DNNs). This paper leverages the UFM to provide qualitative insights into neural multivariate regression, a critical task in imitation learning, robotics, and reinforcement learning. Specifically, we address two key questions: (1) How do multi-task models compare to multiple single-task models in terms of training performance? (2) Can whitening and normalizing regression targets improve training performance? The UFM theory predicts that multi-task models achieve strictly smaller training MSE than multiple single-task models when the same or stronger regularization is applied to the latter, and our empirical results confirm these findings. Regarding whitening and normalizing regression targets, the UFM theory predicts that they reduce training MSE when the average variance across the target dimensions is less than one, and our empirical results once again confirm these findings. These findings highlight the UFM as a powerful framework for deriving actionable insights into DNN design and data pre-processing strategies.

Neural networks are fundamental in artificial intelligence, driving progress in computer vision and natural language processing. High-quality datasets are crucial for their development, and there is growing interest in datasets composed of neural networks themselves to support benchmarking, automated machine learning (AutoML), and model analysis. We introduce LEMUR, an open source dataset of neural network models with well-structured code for diverse architectures across tasks such as object detection, image classification, segmentation, and natural language processing. LEMUR is primarily designed to provide a rich source of structured model representations and associated performance data, enabling the fine-tuning of large language models for AutoML applications. Leveraging Python and PyTorch, LEMUR enables seamless extension to new datasets and models while maintaining consistency. It integrates an Optuna-powered framework for evaluation, hyperparameter optimization, statistical analysis, and graphical insights. LEMUR VR extension enables the seamless deployment of models in virtual reality, optimizing their performance on resource-constrained devices. Providing tools for model evaluation, preprocessing, and database management, LEMUR supports researchers and practitioners in developing, testing, and analyzing neural networks. It offers an API that delivers comprehensive information about neural network models and their complete performance statistics with a single request, which can be used in experiments with code-generating large language models. The LEMUR and its plugins are accessible as open source projects under the MIT license at https://github.com/ABrain-One/nn-dataset, https://github.com/ABrain-One/nn-plots and https://github.com/ABrain-One/nn-vr.

Neural quantum states (NQS) have emerged as a powerful tool for approximating quantum wavefunctions using deep learning. While these models achieve remarkable accuracy, understanding how they encode physical information remains an open challenge. In this work, we introduce adiabatic fine-tuning, a scheme that trains NQS across a phase diagram, leading to strongly correlated weight representations across different models. This correlation in weight space enables the detection of phase transitions in quantum systems by analyzing the trained network weights alone. We validate our approach on the transverse field Ising model and the J1-J2 Heisenberg model, demonstrating that phase transitions manifest as distinct structures in weight space. Our results establish a connection between physical phase transitions and the geometry of neural network parameters, opening new directions for the interpretability of machine learning models in physics.

Diffusion models have emerged as a powerful tool rivaling GANs in generating high-quality samples with improved fidelity, flexibility, and robustness. A key component of these models is to learn the score function through score matching. Despite empirical success on various tasks, it remains unclear whether gradient-based algorithms can learn the score function with a provable accuracy. As a first step toward answering this question, this paper establishes a mathematical framework for analyzing score estimation using neural networks trained by gradient descent. Our analysis covers both the optimization and the generalization aspects of the learning procedure. In particular, we propose a parametric form to formulate the denoising score-matching problem as a regression with noisy labels. Compared to the standard supervised learning setup, the score-matching problem introduces distinct challenges, including unbounded input, vector-valued output, and an additional time variable, preventing existing techniques from being applied directly. In this paper, we show that with proper designs, the evolution of neural networks during training can be accurately modeled by a series of kernel regression tasks. Furthermore, by applying an early-stopping rule for gradient descent and leveraging recent developments in neural tangent kernels, we establish the first generalization error (sample complexity) bounds for learning the score function with neural networks, despite the presence of noise in the observations. Our analysis is grounded in a novel parametric form of the neural network and an innovative connection between score matching and regression analysis, facilitating the application of advanced statistical and optimization techniques.

Recently, the mainstream practice for training low-light raw image denoising methods has shifted towards employing synthetic data. Noise modeling, which focuses on characterizing the noise distribution of real-world sensors, profoundly influences the effectiveness and practicality of synthetic data. Currently, physics-based noise modeling struggles to characterize the entire real noise distribution, while learning-based noise modeling impractically depends on paired real data. In this paper, we propose a novel strategy: learning the noise model from dark frames instead of paired real data, to break down the data dependency. Based on this strategy, we introduce an efficient physics-guided noise neural proxy (PNNP) to approximate the real-world sensor noise model. Specifically, we integrate physical priors into neural proxies and introduce three efficient techniques: physics-guided noise decoupling (PND), physics-guided proxy model (PPM), and differentiable distribution loss (DDL). PND decouples the dark frame into different components and handles different levels of noise flexibly, which reduces the complexity of noise modeling. PPM incorporates physical priors to constrain the generated noise, which promotes the accuracy of noise modeling. DDL provides explicit and reliable supervision for noise distribution, which promotes the precision of noise modeling. PNNP exhibits powerful potential in characterizing the real noise distribution. Extensive experiments on public datasets demonstrate superior performance in practical low-light raw image denoising. The code will be available at https://github.com/fenghansen/PNNP.

Neural implicit 3D representations have emerged as a powerful paradigm for reconstructing surfaces from multi-view images and synthesizing novel views. Unfortunately, existing methods such as DVR or IDR require accurate per-pixel object masks as supervision. At the same time, neural radiance fields have revolutionized novel view synthesis. However, NeRF's estimated volume density does not admit accurate surface reconstruction. Our key insight is that implicit surface models and radiance fields can be formulated in a unified way, enabling both surface and volume rendering using the same model. This unified perspective enables novel, more efficient sampling procedures and the ability to reconstruct accurate surfaces without input masks. We compare our method on the DTU, BlendedMVS, and a synthetic indoor dataset. Our experiments demonstrate that we outperform NeRF in terms of reconstruction quality while performing on par with IDR without requiring masks.

Deep neural networks (DNNs) are powerful machine learning models and have succeeded in various artificial intelligence tasks. Although various architectures and modules for the DNNs have been proposed, selecting and designing the appropriate network structure for a target problem is a challenging task. In this paper, we propose a method to simultaneously optimize the network structure and weight parameters during neural network training. We consider a probability distribution that generates network structures, and optimize the parameters of the distribution instead of directly optimizing the network structure. The proposed method can apply to the various network structure optimization problems under the same framework. We apply the proposed method to several structure optimization problems such as selection of layers, selection of unit types, and selection of connections using the MNIST, CIFAR-10, and CIFAR-100 datasets. The experimental results show that the proposed method can find the appropriate and competitive network structures.

Recurrent neural network is a powerful model that learns temporal patterns in sequential data. For a long time, it was believed that recurrent networks are difficult to train using simple optimizers, such as stochastic gradient descent, due to the so-called vanishing gradient problem. In this paper, we show that learning longer term patterns in real data, such as in natural language, is perfectly possible using gradient descent. This is achieved by using a slight structural modification of the simple recurrent neural network architecture. We encourage some of the hidden units to change their state slowly by making part of the recurrent weight matrix close to identity, thus forming kind of a longer term memory. We evaluate our model in language modeling experiments, where we obtain similar performance to the much more complex Long Short Term Memory (LSTM) networks (Hochreiter & Schmidhuber, 1997).

Training deep neural networks--and more recently, large models--demands efficient and scalable optimizers. Adaptive gradient algorithms like Adam, AdamW, and their variants have been central to this task. Despite the development of numerous variance reduction algorithms in the past decade aimed at accelerating stochastic optimization in both convex and nonconvex settings, variance reduction has not found widespread success in training deep neural networks or large language models. Consequently, it has remained a less favored approach in modern AI. In this paper, to unleash the power of variance reduction for efficient training of large models, we propose a unified optimization framework, MARS (Make vAriance Reduction Shine), which reconciles preconditioned gradient methods with variance reduction via a scaled stochastic recursive momentum technique. Within our framework, we introduce three instances of MARS that leverage preconditioned gradient updates based on AdamW, Lion, and Shampoo, respectively. We also draw a connection between our algorithms and existing optimizers. Experimental results on training GPT-2 models indicate that MARS consistently outperforms AdamW by a large margin.

We study empirical scaling laws for language model performance on the cross-entropy loss. The loss scales as a power-law with model size, dataset size, and the amount of compute used for training, with some trends spanning more than seven orders of magnitude. Other architectural details such as network width or depth have minimal effects within a wide range. Simple equations govern the dependence of overfitting on model/dataset size and the dependence of training speed on model size. These relationships allow us to determine the optimal allocation of a fixed compute budget. Larger models are significantly more sample-efficient, such that optimally compute-efficient training involves training very large models on a relatively modest amount of data and stopping significantly before convergence.

Handwriting recognition is one of the desirable attributes of document comprehension and analysis. It is concerned with the documents writing style and characteristics that distinguish the authors. The diversity of text images, notably in images with varying handwriting, makes the process of learning good features difficult in cases where little data is available. In this paper, we propose a novel scheme to identify the author of a document based on the input word image. Our method is text independent and does not impose any constraint on the size of the input image under examination. To begin with, we detect crucial components in handwriting and extract regions surrounding them using Scale Invariant Feature Transform (SIFT). These patches are designed to capture individual writing features (including allographs, characters, or combinations of characters) that are likely to be unique for an individual writer. These features are then passed through a deep Convolutional Neural Network (CNN) in which the weights are learned by applying the concept of Similarity learning using Siamese network. Siamese network enhances the discrimination power of CNN by mapping similarity between different pairs of input image. Features learned at different scales of the extracted SIFT key-points are encoded using Sparse PCA, each components of the Sparse PCA is assigned a saliency score signifying its level of significance in discriminating different writers effectively. Finally, the weighted Sparse PCA corresponding to each SIFT key-points is combined to arrive at a final classification score for each writer. The proposed algorithm was evaluated on two publicly available databases (namely IAM and CVL) and is able to achieve promising result, when compared with other deep learning based algorithm.

Reinforcement learning agents based on Transformer architectures have achieved impressive performance on sequential decision-making tasks, but their reliance on dense matrix operations makes them ill-suited for energy-constrained, edge-oriented platforms. Spiking neural networks promise ultra-low-power, event-driven inference, yet no prior work has seamlessly merged spiking dynamics with return-conditioned sequence modeling. We present the Spiking Decision Transformer (SNN-DT), which embeds Leaky Integrate-and-Fire neurons into each self-attention block, trains end-to-end via surrogate gradients, and incorporates biologically inspired three-factor plasticity, phase-shifted spike-based positional encodings, and a lightweight dendritic routing module. Our implementation matches or exceeds standard Decision Transformer performance on classic control benchmarks (CartPole-v1, MountainCar-v0, Acrobot-v1, Pendulum-v1) while emitting fewer than ten spikes per decision, an energy proxy suggesting over four orders-of-magnitude reduction in per inference energy. By marrying sequence modeling with neuromorphic efficiency, SNN-DT opens a pathway toward real-time, low-power control on embedded and wearable devices.

In an era of information explosion, recommender systems are vital tools to deliver personalized recommendations for users. The key of recommender systems is to forecast users' future behaviors based on previous user-item interactions. Due to their strong expressive power of capturing high-order connectivities in user-item interaction data, recent years have witnessed a rising interest in leveraging Graph Neural Networks (GNNs) to boost the prediction performance of recommender systems. Nonetheless, classic Matrix Factorization (MF) and Deep Neural Network (DNN) approaches still play an important role in real-world large-scale recommender systems due to their scalability advantages. Despite the existence of GNN-acceleration solutions, it remains an open question whether GNN-based recommender systems can scale as efficiently as classic MF and DNN methods. In this paper, we propose a Linear-Time Graph Neural Network (LTGNN) to scale up GNN-based recommender systems to achieve comparable scalability as classic MF approaches while maintaining GNNs' powerful expressiveness for superior prediction accuracy. Extensive experiments and ablation studies are presented to validate the effectiveness and scalability of the proposed algorithm. Our implementation based on PyTorch is available.

Deep neural network (DNN) deployment has been confined to larger hardware devices due to their expensive computational requirements. This challenge has recently reached another scale with the emergence of large language models (LLMs). In order to reduce both their memory footprint and latency, a promising technique is quantization. It consists in converting floating point representations to low bit-width fixed point representations, usually by assuming a uniform mapping onto a regular grid. This process, referred to in the literature as uniform quantization, may however be ill-suited as most DNN weights and activations follow a bell-shaped distribution. This is even worse on LLMs whose weight distributions are known to exhibit large, high impact, outlier values. In this work, we propose an improvement over the most commonly adopted way to tackle this limitation in deep learning models quantization, namely, non-uniform quantization. NUPES leverages automorphisms to preserve the scalar multiplications. Such transformations are derived from power functions. However, the optimization of the exponent parameter and weight values remains a challenging and novel problem which could not be solved with previous post training optimization techniques which only learn to round up or down weight values in order to preserve the predictive function. We circumvent this limitation with a new paradigm: learning new quantized weights over the entire quantized space. Similarly, we enable the optimization of the power exponent, i.e. the optimization of the quantization operator itself during training by alleviating all the numerical instabilities. The resulting predictive function is compatible with integer-only low-bit inference. We show the ability of the method to achieve state-of-the-art compression rates in both, data-free and data-driven configurations.

Graph Neural Networks (GNN) are inherently limited in their expressive power. Recent seminal works (Xu et al., 2019; Morris et al., 2019b) introduced the Weisfeiler-Lehman (WL) hierarchy as a measure of expressive power. Although this hierarchy has propelled significant advances in GNN analysis and architecture developments, it suffers from several significant limitations. These include a complex definition that lacks direct guidance for model improvement and a WL hierarchy that is too coarse to study current GNNs. This paper introduces an alternative expressive power hierarchy based on the ability of GNNs to calculate equivariant polynomials of a certain degree. As a first step, we provide a full characterization of all equivariant graph polynomials by introducing a concrete basis, significantly generalizing previous results. Each basis element corresponds to a specific multi-graph, and its computation over some graph data input corresponds to a tensor contraction problem. Second, we propose algorithmic tools for evaluating the expressiveness of GNNs using tensor contraction sequences, and calculate the expressive power of popular GNNs. Finally, we enhance the expressivity of common GNN architectures by adding polynomial features or additional operations / aggregations inspired by our theory. These enhanced GNNs demonstrate state-of-the-art results in experiments across multiple graph learning benchmarks.

This paper presents an end-to-end neural architecture based on Diffusion Models for spatial puzzle solving, particularly jigsaw puzzle and room arrangement tasks. In the latter task, for instance, the proposed system "PuzzleFusion" takes a set of room layouts as polygonal curves in the top-down view and aligns the room layout pieces by estimating their 2D translations and rotations, akin to solving the jigsaw puzzle of room layouts. A surprising discovery of the paper is that the simple use of a Diffusion Model effectively solves these challenging spatial puzzle tasks as a conditional generation process. To enable learning of an end-to-end neural system, the paper introduces new datasets with ground-truth arrangements: 1) 2D Voronoi jigsaw dataset, a synthetic one where pieces are generated by Voronoi diagram of 2D pointset; and 2) MagicPlan dataset, a real one offered by MagicPlan from its production pipeline, where pieces are room layouts constructed by augmented reality App by real-estate consumers. The qualitative and quantitative evaluations demonstrate that our approach outperforms the competing methods by significant margins in all the tasks.

The population loss of trained deep neural networks often follows precise power-law scaling relations with either the size of the training dataset or the number of parameters in the network. We propose a theory that explains the origins of and connects these scaling laws. We identify variance-limited and resolution-limited scaling behavior for both dataset and model size, for a total of four scaling regimes. The variance-limited scaling follows simply from the existence of a well-behaved infinite data or infinite width limit, while the resolution-limited regime can be explained by positing that models are effectively resolving a smooth data manifold. In the large width limit, this can be equivalently obtained from the spectrum of certain kernels, and we present evidence that large width and large dataset resolution-limited scaling exponents are related by a duality. We exhibit all four scaling regimes in the controlled setting of large random feature and pretrained models and test the predictions empirically on a range of standard architectures and datasets. We also observe several empirical relationships between datasets and scaling exponents under modifications of task and architecture aspect ratio. Our work provides a taxonomy for classifying different scaling regimes, underscores that there can be different mechanisms driving improvements in loss, and lends insight into the microscopic origins of and relationships between scaling exponents.

Graph neural networks (GNNs) have shown great power in modeling graph structured data. However, similar to other machine learning models, GNNs may make predictions biased on protected sensitive attributes, e.g., skin color and gender. Because machine learning algorithms including GNNs are trained to reflect the distribution of the training data which often contains historical bias towards sensitive attributes. In addition, the discrimination in GNNs can be magnified by graph structures and the message-passing mechanism. As a result, the applications of GNNs in sensitive domains such as crime rate prediction would be largely limited. Though extensive studies of fair classification have been conducted on i.i.d data, methods to address the problem of discrimination on non-i.i.d data are rather limited. Furthermore, the practical scenario of sparse annotations in sensitive attributes is rarely considered in existing works. Therefore, we study the novel and important problem of learning fair GNNs with limited sensitive attribute information. FairGNN is proposed to eliminate the bias of GNNs whilst maintaining high node classification accuracy by leveraging graph structures and limited sensitive information. Our theoretical analysis shows that FairGNN can ensure the fairness of GNNs under mild conditions given limited nodes with known sensitive attributes. Extensive experiments on real-world datasets also demonstrate the effectiveness of FairGNN in debiasing and keeping high accuracy.

Ear biometrics offer a stable and contactless modality for identity recognition, yet their effectiveness remains limited by the scarcity of annotated data and significant intra-class variability. Existing methods typically extract identity features from individual impressions in isolation, restricting their ability to capture consistent and discriminative representations. To overcome these limitations, a few-shot learning framework, ProtoN, is proposed to jointly process multiple impressions of an identity using a graph-based approach. Each impression is represented as a node in a class-specific graph, alongside a learnable prototype node that encodes identity-level information. This graph is processed by a Prototype Graph Neural Network (PGNN) layer, specifically designed to refine both impression and prototype representations through a dual-path message-passing mechanism. To further enhance discriminative power, the PGNN incorporates a cross-graph prototype alignment strategy that improves class separability by enforcing intra-class compactness while maintaining inter-class distinction. Additionally, a hybrid loss function is employed to balance episodic and global classification objectives, thereby improving the overall structure of the embedding space. Extensive experiments on five benchmark ear datasets demonstrate that ProtoN achieves state-of-the-art performance, with Rank-1 identification accuracy of up to 99.60% and an Equal Error Rate (EER) as low as 0.025, showing the effectiveness for few-shot ear recognition under limited data conditions.

The measurements of the temperature and polarisation anisotropies of the Cosmic Microwave Background (CMB) by the ESA Planck mission have strongly supported the current concordance model of cosmology. However, the latest cosmological data release from ESA Planck mission still has a powerful potential to test new data science algorithms and inference techniques. In this paper, we use advanced Machine Learning (ML) algorithms, such as Neural Networks (NNs), to discern among different underlying cosmological models at the angular power spectra level, using both temperature and polarisation Planck 18 data. We test two different models beyond LambdaCDM: a modified gravity model: the Hu-Sawicki model, and an alternative inflationary model: a feature-template in the primordial power spectrum. Furthermore, we also implemented an interpretability method based on SHAP values to evaluate the learning process and identify the most relevant elements that drive our architecture to certain outcomes. We find that our NN is able to distinguish between different angular power spectra successfully for both alternative models and LambdaCDM. We conclude by explaining how archival scientific data has still a strong potential to test novel data science algorithms that are interesting for the next generation of cosmological experiments.

Motivated by applications in chemistry and other sciences, we study the expressive power of message-passing neural networks for geometric graphs, whose node features correspond to 3-dimensional positions. Recent work has shown that such models can separate generic pairs of non-isomorphic geometric graphs, though they may fail to separate some rare and complicated instances. However, these results assume a fully connected graph, where each node possesses complete knowledge of all other nodes. In contrast, often, in application, every node only possesses knowledge of a small number of nearest neighbors. This paper shows that generic pairs of non-isomorphic geometric graphs can be separated by message-passing networks with rotation equivariant features as long as the underlying graph is connected. When only invariant intermediate features are allowed, generic separation is guaranteed for generically globally rigid graphs. We introduce a simple architecture, EGENNET, which achieves our theoretical guarantees and compares favorably with alternative architecture on synthetic and chemical benchmarks. Our code is available at https://github.com/yonatansverdlov/E-GenNet.

Seminal research in the field of graph neural networks (GNNs) has revealed a direct correspondence between the expressive capabilities of GNNs and the k-dimensional Weisfeiler-Leman (kWL) test, a widely-recognized method for verifying graph isomorphism. This connection has reignited interest in comprehending the specific graph properties effectively distinguishable by the kWL test. A central focus of research in this field revolves around determining the least dimensionality k, for which kWL can discern graphs with different number of occurrences of a pattern graph P. We refer to such a least k as the WL-dimension of this pattern counting problem. This inquiry traditionally delves into two distinct counting problems related to patterns: subgraph counting and induced subgraph counting. Intriguingly, despite their initial appearance as separate challenges with seemingly divergent approaches, both of these problems are interconnected components of a more comprehensive problem: "graph motif parameters". In this paper, we provide a precise characterization of the WL-dimension of labeled graph motif parameters. As specific instances of this result, we obtain characterizations of the WL-dimension of the subgraph counting and induced subgraph counting problem for every labeled pattern P. We additionally demonstrate that in cases where the kWL test distinguishes between graphs with varying occurrences of a pattern P, the exact number of occurrences of P can be computed uniformly using only local information of the last layer of a corresponding GNN. We finally delve into the challenge of recognizing the WL-dimension of various graph parameters. We give a polynomial time algorithm for determining the WL-dimension of the subgraph counting problem for given pattern P, answering an open question from previous work.

Spiking Neural Networks (SNN) are a class of bio-inspired neural networks that promise to bring low-power and low-latency inference to edge devices through asynchronous and sparse processing. However, being temporal models, SNNs depend heavily on expressive states to generate predictions on par with classical artificial neural networks (ANNs). These states converge only after long transient periods, and quickly decay without input data, leading to higher latency, power consumption, and lower accuracy. This work addresses this issue by initializing the state with an auxiliary ANN running at a low rate. The SNN then uses the state to generate predictions with high temporal resolution until the next initialization phase. Our hybrid ANN-SNN model thus combines the best of both worlds: It does not suffer from long state transients and state decay thanks to the ANN, and can generate predictions with high temporal resolution, low latency, and low power thanks to the SNN. We show for the task of event-based 2D and 3D human pose estimation that our method consumes 88% less power with only a 4% decrease in performance compared to its fully ANN counterparts when run at the same inference rate. Moreover, when compared to SNNs, our method achieves a 74% lower error. This research thus provides a new understanding of how ANNs and SNNs can be used to maximize their respective benefits.

When quantizing neural networks for efficient inference, low-bit integers are the go-to format for efficiency. However, low-bit floating point numbers have an extra degree of freedom, assigning some bits to work on an exponential scale instead. This paper in-depth investigates this benefit of the floating point format for neural network inference. We detail the choices that can be made for the FP8 format, including the important choice of the number of bits for the mantissa and exponent, and show analytically in which settings these choices give better performance. Then we show how these findings translate to real networks, provide an efficient implementation for FP8 simulation, and a new algorithm that enables the learning of both the scale parameters and the number of exponent bits in the FP8 format. Our chief conclusion is that when doing post-training quantization for a wide range of networks, the FP8 format is better than INT8 in terms of accuracy, and the choice of the number of exponent bits is driven by the severity of outliers in the network. We also conduct experiments with quantization-aware training where the difference in formats disappears as the network is trained to reduce the effect of outliers.

We present an empirical study of scaling properties of encoder-decoder Transformer models used in neural machine translation (NMT). We show that cross-entropy loss as a function of model size follows a certain scaling law. Specifically (i) We propose a formula which describes the scaling behavior of cross-entropy loss as a bivariate function of encoder and decoder size, and show that it gives accurate predictions under a variety of scaling approaches and languages; we show that the total number of parameters alone is not sufficient for such purposes. (ii) We observe different power law exponents when scaling the decoder vs scaling the encoder, and provide recommendations for optimal allocation of encoder/decoder capacity based on this observation. (iii) We also report that the scaling behavior of the model is acutely influenced by composition bias of the train/test sets, which we define as any deviation from naturally generated text (either via machine generated or human translated text). We observe that natural text on the target side enjoys scaling, which manifests as successful reduction of the cross-entropy loss. (iv) Finally, we investigate the relationship between the cross-entropy loss and the quality of the generated translations. We find two different behaviors, depending on the nature of the test data. For test sets which were originally translated from target language to source language, both loss and BLEU score improve as model size increases. In contrast, for test sets originally translated from source language to target language, the loss improves, but the BLEU score stops improving after a certain threshold. We release generated text from all models used in this study.

Discovering the underlying behavior of complex systems is an important topic in many science and engineering disciplines. In this paper, we propose a novel neural network framework, finite difference neural networks (FDNet), to learn partial differential equations from data. Specifically, our proposed finite difference inspired network is designed to learn the underlying governing partial differential equations from trajectory data, and to iteratively estimate the future dynamical behavior using only a few trainable parameters. We illustrate the performance (predictive power) of our framework on the heat equation, with and without noise and/or forcing, and compare our results to the Forward Euler method. Moreover, we show the advantages of using a Hessian-Free Trust Region method to train the network.

Originally inspired by neurobiology, deep neural network models have become a powerful tool of machine learning and artificial intelligence, where they are used to approximate functions and dynamics by learning from examples. Here we give a brief introduction to neural network models and deep learning for biologists. We introduce feedforward and recurrent networks and explain the expressive power of this modeling framework and the backpropagation algorithm for setting the parameters. Finally, we consider how deep neural networks might help us understand the brain's computations.

One of the main barriers for deploying neural networks on embedded systems has been large memory and power consumption of existing neural networks. In this work, we introduce SqueezeNext, a new family of neural network architectures whose design was guided by considering previous architectures such as SqueezeNet, as well as by simulation results on a neural network accelerator. This new network is able to match AlexNet's accuracy on the ImageNet benchmark with 112times fewer parameters, and one of its deeper variants is able to achieve VGG-19 accuracy with only 4.4 Million parameters, (31times smaller than VGG-19). SqueezeNext also achieves better top-5 classification accuracy with 1.3times fewer parameters as compared to MobileNet, but avoids using depthwise-separable convolutions that are inefficient on some mobile processor platforms. This wide range of accuracy gives the user the ability to make speed-accuracy tradeoffs, depending on the available resources on the target hardware. Using hardware simulation results for power and inference speed on an embedded system has guided us to design variations of the baseline model that are 2.59times/8.26times faster and 2.25times/7.5times more energy efficient as compared to SqueezeNet/AlexNet without any accuracy degradation.

Deep learning (DL) based semantic segmentation methods have been providing state-of-the-art performance in the last few years. More specifically, these techniques have been successfully applied to medical image classification, segmentation, and detection tasks. One deep learning technique, U-Net, has become one of the most popular for these applications. In this paper, we propose a Recurrent Convolutional Neural Network (RCNN) based on U-Net as well as a Recurrent Residual Convolutional Neural Network (RRCNN) based on U-Net models, which are named RU-Net and R2U-Net respectively. The proposed models utilize the power of U-Net, Residual Network, as well as RCNN. There are several advantages of these proposed architectures for segmentation tasks. First, a residual unit helps when training deep architecture. Second, feature accumulation with recurrent residual convolutional layers ensures better feature representation for segmentation tasks. Third, it allows us to design better U-Net architecture with same number of network parameters with better performance for medical image segmentation. The proposed models are tested on three benchmark datasets such as blood vessel segmentation in retina images, skin cancer segmentation, and lung lesion segmentation. The experimental results show superior performance on segmentation tasks compared to equivalent models including U-Net and residual U-Net (ResU-Net).