Daily Papers

We propose Super-resolution Neural Operator (SRNO), a deep operator learning framework that can resolve high-resolution (HR) images at arbitrary scales from the low-resolution (LR) counterparts. Treating the LR-HR image pairs as continuous functions approximated with different grid sizes, SRNO learns the mapping between the corresponding function spaces. From the perspective of approximation theory, SRNO first embeds the LR input into a higher-dimensional latent representation space, trying to capture sufficient basis functions, and then iteratively approximates the implicit image function with a kernel integral mechanism, followed by a final dimensionality reduction step to generate the RGB representation at the target coordinates. The key characteristics distinguishing SRNO from prior continuous SR works are: 1) the kernel integral in each layer is efficiently implemented via the Galerkin-type attention, which possesses non-local properties in the spatial domain and therefore benefits the grid-free continuum; and 2) the multilayer attention architecture allows for the dynamic latent basis update, which is crucial for SR problems to "hallucinate" high-frequency information from the LR image. Experiments show that SRNO outperforms existing continuous SR methods in terms of both accuracy and running time. Our code is at https://github.com/2y7c3/Super-Resolution-Neural-Operator

Deep neural networks, despite their success in numerous applications, often function without established theoretical foundations. In this paper, we bridge this gap by drawing parallels between deep learning and classical numerical analysis. By framing neural networks as operators with fixed points representing desired solutions, we develop a theoretical framework grounded in iterative methods for operator equations. Under defined conditions, we present convergence proofs based on fixed point theory. We demonstrate that popular architectures, such as diffusion models and AlphaFold, inherently employ iterative operator learning. Empirical assessments highlight that performing iterations through network operators improves performance. We also introduce an iterative graph neural network, PIGN, that further demonstrates benefits of iterations. Our work aims to enhance the understanding of deep learning by merging insights from numerical analysis, potentially guiding the design of future networks with clearer theoretical underpinnings and improved performance.

A wide range of scientific problems, such as those described by continuous-time dynamical systems and partial differential equations (PDEs), are naturally formulated on function spaces. While function spaces are typically infinite-dimensional, deep learning has predominantly advanced through applications in computer vision and natural language processing that focus on mappings between finite-dimensional spaces. Such fundamental disparities in the nature of the data have limited neural networks from achieving a comparable level of success in scientific applications as seen in other fields. Neural operators are a principled way to generalize neural networks to mappings between function spaces, offering a pathway to replicate deep learning's transformative impact on scientific problems. For instance, neural operators can learn solution operators for entire classes of PDEs, e.g., physical systems with different boundary conditions, coefficient functions, and geometries. A key factor in deep learning's success has been the careful engineering of neural architectures through extensive empirical testing. Translating these neural architectures into neural operators allows operator learning to enjoy these same empirical optimizations. However, prior neural operator architectures have often been introduced as standalone models, not directly derived as extensions of existing neural network architectures. In this paper, we identify and distill the key principles for constructing practical implementations of mappings between infinite-dimensional function spaces. Using these principles, we propose a recipe for converting several popular neural architectures into neural operators with minimal modifications. This paper aims to guide practitioners through this process and details the steps to make neural operators work in practice. Our code can be found at https://github.com/neuraloperator/NNs-to-NOs

Spectral analysis provides one of the most effective paradigms for information-preserving dimensionality reduction, as simple descriptions of naturally occurring signals are often obtained via few terms of periodic basis functions. In this work, we study deep neural networks designed to harness the structure in frequency domain for efficient learning of long-range correlations in space or time: frequency-domain models (FDMs). Existing FDMs are based on complex-valued transforms i.e. Fourier Transforms (FT), and layers that perform computation on the spectrum and input data separately. This design introduces considerable computational overhead: for each layer, a forward and inverse FT. Instead, this work introduces a blueprint for frequency domain learning through a single transform: transform once (T1). To enable efficient, direct learning in the frequency domain we derive a variance-preserving weight initialization scheme and investigate methods for frequency selection in reduced-order FDMs. Our results noticeably streamline the design process of FDMs, pruning redundant transforms, and leading to speedups of 3x to 10x that increase with data resolution and model size. We perform extensive experiments on learning the solution operator of spatio-temporal dynamics, including incompressible Navier-Stokes, turbulent flows around airfoils and high-resolution video of smoke. T1 models improve on the test performance of FDMs while requiring significantly less computation (5 hours instead of 32 for our large-scale experiment), with over 20% reduction in average predictive error across tasks.

Improving diesel engine efficiency, reducing emissions, and enabling robust health monitoring have been critical research topics in engine modelling. While recent advancements in the use of neural networks for system monitoring have shown promising results, such methods often focus on component-level analysis, lack generalizability, and physical interpretability. In this study, we propose a novel hybrid framework that combines physics-informed neural networks (PINNs) with deep operator networks (DeepONet) to enable accurate and computationally efficient parameter identification in mean-value diesel engine models. Our method leverages physics-based system knowledge in combination with data-driven training of neural networks to enhance model applicability. Incorporating offline-trained DeepONets to predict actuator dynamics significantly lowers the online computation cost when compared to the existing PINN framework. To address the re-training burden typical of PINNs under varying input conditions, we propose two transfer learning (TL) strategies: (i) a multi-stage TL scheme offering better runtime efficiency than full online training of the PINN model and (ii) a few-shot TL scheme that freezes a shared multi-head network body and computes physics-based derivatives required for model training outside the training loop. The second strategy offers a computationally inexpensive and physics-based approach for predicting engine dynamics and parameter identification, offering computational efficiency over the existing PINN framework. Compared to existing health monitoring methods, our framework combines the interpretability of physics-based models with the flexibility of deep learning, offering substantial gains in generalization, accuracy, and deployment efficiency for diesel engine diagnostics.

Multi-task learning (MTL) is an inductive transfer mechanism designed to leverage useful information from multiple tasks to improve generalization performance compared to single-task learning. It has been extensively explored in traditional machine learning to address issues such as data sparsity and overfitting in neural networks. In this work, we apply MTL to problems in science and engineering governed by partial differential equations (PDEs). However, implementing MTL in this context is complex, as it requires task-specific modifications to accommodate various scenarios representing different physical processes. To this end, we present a multi-task deep operator network (MT-DeepONet) to learn solutions across various functional forms of source terms in a PDE and multiple geometries in a single concurrent training session. We introduce modifications in the branch network of the vanilla DeepONet to account for various functional forms of a parameterized coefficient in a PDE. Additionally, we handle parameterized geometries by introducing a binary mask in the branch network and incorporating it into the loss term to improve convergence and generalization to new geometry tasks. Our approach is demonstrated on three benchmark problems: (1) learning different functional forms of the source term in the Fisher equation; (2) learning multiple geometries in a 2D Darcy Flow problem and showcasing better transfer learning capabilities to new geometries; and (3) learning 3D parameterized geometries for a heat transfer problem and demonstrate the ability to predict on new but similar geometries. Our MT-DeepONet framework offers a novel approach to solving PDE problems in engineering and science under a unified umbrella based on synergistic learning that reduces the overall training cost for neural operators.

While it is widely known that neural networks are universal approximators of continuous functions, a less known and perhaps more powerful result is that a neural network with a single hidden layer can approximate accurately any nonlinear continuous operator. This universal approximation theorem is suggestive of the potential application of neural networks in learning nonlinear operators from data. However, the theorem guarantees only a small approximation error for a sufficient large network, and does not consider the important optimization and generalization errors. To realize this theorem in practice, we propose deep operator networks (DeepONets) to learn operators accurately and efficiently from a relatively small dataset. A DeepONet consists of two sub-networks, one for encoding the input function at a fixed number of sensors x_i, i=1,dots,m (branch net), and another for encoding the locations for the output functions (trunk net). We perform systematic simulations for identifying two types of operators, i.e., dynamic systems and partial differential equations, and demonstrate that DeepONet significantly reduces the generalization error compared to the fully-connected networks. We also derive theoretically the dependence of the approximation error in terms of the number of sensors (where the input function is defined) as well as the input function type, and we verify the theorem with computational results. More importantly, we observe high-order error convergence in our computational tests, namely polynomial rates (from half order to fourth order) and even exponential convergence with respect to the training dataset size.

We develop a data-driven deep neural operator framework to approximate multiple output states for a diesel engine and generate real-time predictions with reasonable accuracy. As emission norms become more stringent, the need for fast and accurate models that enable analysis of system behavior have become an essential requirement for system development. The fast transient processes involved in the operation of a combustion engine make it difficult to develop accurate physics-based models for such systems. As an alternative to physics based models, we develop an operator-based regression model (DeepONet) to learn the relevant output states for a mean-value gas flow engine model using the engine operating conditions as input variables. We have adopted a mean-value model as a benchmark for comparison, simulated using Simulink. The developed approach necessitates using the initial conditions of the output states to predict the accurate sequence over the temporal domain. To this end, a sequence-to-sequence approach is embedded into the proposed framework. The accuracy of the model is evaluated by comparing the prediction output to ground truth generated from Simulink model. The maximum mathcal L_2 relative error observed was approximately 6.5%. The sensitivity of the DeepONet model is evaluated under simulated noise conditions and the model shows relatively low sensitivity to noise. The uncertainty in model prediction is further assessed by using a mean ensemble approach. The worst-case error at the (mu + 2sigma) boundary was found to be 12%. The proposed framework provides the ability to predict output states in real-time and enables data-driven learning of complex input-output operator mapping. As a result, this model can be applied during initial development stages, where accurate models may not be available.

This paper proposes a policy learning algorithm based on the Koopman operator theory and policy gradient approach, which seeks to approximate an unknown dynamical system and search for optimal policy simultaneously, using the observations gathered through interaction with the environment. The proposed algorithm has two innovations: first, it introduces the so-called deep Koopman representation into the policy gradient to achieve a linear approximation of the unknown dynamical system, all with the purpose of improving data efficiency; second, the accumulated errors for long-term tasks induced by approximating system dynamics are avoided by applying Bellman's principle of optimality. Furthermore, a theoretical analysis is provided to prove the asymptotic convergence of the proposed algorithm and characterize the corresponding sampling complexity. These conclusions are also supported by simulations on several challenging benchmark environments.

We propose a novel theoretical framework to understand contrastive self-supervised learning (SSL) methods that employ dual pairs of deep ReLU networks (e.g., SimCLR). First, we prove that in each SGD update of SimCLR with various loss functions, including simple contrastive loss, soft Triplet loss and InfoNCE loss, the weights at each layer are updated by a covariance operator that specifically amplifies initial random selectivities that vary across data samples but survive averages over data augmentations. To further study what role the covariance operator plays and which features are learned in such a process, we model data generation and augmentation processes through a hierarchical latent tree model (HLTM) and prove that the hidden neurons of deep ReLU networks can learn the latent variables in HLTM, despite the fact that the network receives no direct supervision from these unobserved latent variables. This leads to a provable emergence of hierarchical features through the amplification of initially random selectivities through contrastive SSL. Extensive numerical studies justify our theoretical findings. Code is released in https://github.com/facebookresearch/luckmatters/tree/master/ssl.

The spatiotemporal resolution of Partial Differential Equations (PDEs) plays important roles in the mathematical description of the world's physical phenomena. In general, scientists and engineers solve PDEs numerically by the use of computationally demanding solvers. Recently, deep learning algorithms have emerged as a viable alternative for obtaining fast solutions for PDEs. Models are usually trained on synthetic data generated by solvers, stored on disk and read back for training. This paper advocates that relying on a traditional static dataset to train these models does not allow the full benefit of the solver to be used as a data generator. It proposes an open source online training framework for deep surrogate models. The framework implements several levels of parallelism focused on simultaneously generating numerical simulations and training deep neural networks. This approach suppresses the I/O and storage bottleneck associated with disk-loaded datasets, and opens the way to training on significantly larger datasets. Experiments compare the offline and online training of four surrogate models, including state-of-the-art architectures. Results indicate that exposing deep surrogate models to more dataset diversity, up to hundreds of GB, can increase model generalization capabilities. Fully connected neural networks, Fourier Neural Operator (FNO), and Message Passing PDE Solver prediction accuracy is improved by 68%, 16% and 7%, respectively.

Efficient quantum compiling tactics greatly enhance the capability of quantum computers to execute complicated quantum algorithms. Due to its fundamental importance, a plethora of quantum compilers has been designed in past years. However, there are several caveats to current protocols, which are low optimality, high inference time, limited scalability, and lack of universality. To compensate for these defects, here we devise an efficient and practical quantum compiler assisted by advanced deep reinforcement learning (RL) techniques, i.e., data generation, deep Q-learning, and AQ* search. In this way, our protocol is compatible with various quantum machines and can be used to compile multi-qubit operators. We systematically evaluate the performance of our proposal in compiling quantum operators with both inverse-closed and inverse-free universal basis sets. In the task of single-qubit operator compiling, our proposal outperforms other RL-based quantum compilers in the measure of compiling sequence length and inference time. Meanwhile, the output solution is near-optimal, guaranteed by the Solovay-Kitaev theorem. Notably, for the inverse-free universal basis set, the achieved sequence length complexity is comparable with the inverse-based setting and dramatically advances previous methods. These empirical results contribute to improving the inverse-free Solovay-Kitaev theorem. In addition, for the first time, we demonstrate how to leverage RL-based quantum compilers to accomplish two-qubit operator compiling. The achieved results open an avenue for integrating RL with quantum compiling to unify efficiency and practicality and thus facilitate the exploration of quantum advantages.

There is an increasing need to bring machine learning to a wide diversity of hardware devices. Current frameworks rely on vendor-specific operator libraries and optimize for a narrow range of server-class GPUs. Deploying workloads to new platforms -- such as mobile phones, embedded devices, and accelerators (e.g., FPGAs, ASICs) -- requires significant manual effort. We propose TVM, a compiler that exposes graph-level and operator-level optimizations to provide performance portability to deep learning workloads across diverse hardware back-ends. TVM solves optimization challenges specific to deep learning, such as high-level operator fusion, mapping to arbitrary hardware primitives, and memory latency hiding. It also automates optimization of low-level programs to hardware characteristics by employing a novel, learning-based cost modeling method for rapid exploration of code optimizations. Experimental results show that TVM delivers performance across hardware back-ends that are competitive with state-of-the-art, hand-tuned libraries for low-power CPU, mobile GPU, and server-class GPUs. We also demonstrate TVM's ability to target new accelerator back-ends, such as the FPGA-based generic deep learning accelerator. The system is open sourced and in production use inside several major companies.

Breast density estimation is one of the key tasks in recognizing individuals predisposed to breast cancer. It is often challenging because of low contrast and fluctuations in mammograms' fatty tissue background. Most of the time, the breast density is estimated manually where a radiologist assigns one of the four density categories decided by the Breast Imaging and Reporting Data Systems (BI-RADS). There have been efforts in the direction of automating a breast density classification pipeline. Breast density estimation is one of the key tasks performed during a screening exam. Dense breasts are more susceptible to breast cancer. The density estimation is challenging because of low contrast and fluctuations in mammograms' fatty tissue background. Traditional mammograms are being replaced by tomosynthesis and its other low radiation dose variants (for example Hologic' Intelligent 2D and C-View). Because of the low-dose requirement, increasingly more screening centers are favoring the Intelligent 2D view and C-View. Deep-learning studies for breast density estimation use only a single modality for training a neural network. However, doing so restricts the number of images in the dataset. In this paper, we show that a neural network trained on all the modalities at once performs better than a neural network trained on any single modality. We discuss these results using the area under the receiver operator characteristics curves.

The simultaneous rise of machine learning as a service and concerns over user privacy have increasingly motivated the need for private inference (PI). While recent work demonstrates PI is possible using cryptographic primitives, the computational overheads render it impractical. The community is largely unprepared to address these overheads, as the source of slowdown in PI stems from the ReLU operator whereas optimizations for plaintext inference focus on optimizing FLOPs. In this paper we re-think the ReLU computation and propose optimizations for PI tailored to properties of neural networks. Specifically, we reformulate ReLU as an approximate sign test and introduce a novel truncation method for the sign test that significantly reduces the cost per ReLU. These optimizations result in a specific type of stochastic ReLU. The key observation is that the stochastic fault behavior is well suited for the fault-tolerant properties of neural network inference. Thus, we provide significant savings without impacting accuracy. We collectively call the optimizations Circa and demonstrate improvements of up to 4.7x storage and 3x runtime over baseline implementations; we further show that Circa can be used on top of recent PI optimizations to obtain 1.8x additional speedup.

Program synthesis aims to create accurate, executable code from natural language descriptions. This field has leveraged the power of reinforcement learning (RL) in conjunction with large language models (LLMs), significantly enhancing code generation capabilities. This integration focuses on directly optimizing functional correctness, transcending conventional supervised losses. While current literature predominantly favors policy-based algorithms, attributes of program synthesis suggest a natural compatibility with value-based methods. This stems from rich collection of off-policy programs developed by human programmers, and the straightforward verification of generated programs through automated unit testing (i.e. easily obtainable rewards in RL language). Diverging from the predominant use of policy-based algorithms, our work explores the applicability of value-based approaches, leading to the development of our B-Coder (pronounced Bellman coder). Yet, training value-based methods presents challenges due to the enormous search space inherent to program synthesis. To this end, we propose an initialization protocol for RL agents utilizing pre-trained LMs and a conservative Bellman operator to reduce training complexities. Moreover, we demonstrate how to leverage the learned value functions as a dual strategy to post-process generated programs. Our empirical evaluations demonstrated B-Coder's capability in achieving state-of-the-art performance compared with policy-based methods. Remarkably, this achievement is reached with minimal reward engineering effort, highlighting the effectiveness of value-based RL, independent of reward designs.

The vast majority of Reinforcement Learning methods is largely impacted by the computation effort and data requirements needed to obtain effective estimates of action-value functions, which in turn determine the quality of the overall performance and the sample-efficiency of the learning procedure. Typically, action-value functions are estimated through an iterative scheme that alternates the application of an empirical approximation of the Bellman operator and a subsequent projection step onto a considered function space. It has been observed that this scheme can be potentially generalized to carry out multiple iterations of the Bellman operator at once, benefiting the underlying learning algorithm. However, till now, it has been challenging to effectively implement this idea, especially in high-dimensional problems. In this paper, we introduce iterated Q-Network (i-QN), a novel principled approach that enables multiple consecutive Bellman updates by learning a tailored sequence of action-value functions where each serves as the target for the next. We show that i-QN is theoretically grounded and that it can be seamlessly used in value-based and actor-critic methods. We empirically demonstrate the advantages of i-QN in Atari 2600 games and MuJoCo continuous control problems.

Deep-learning (DL) compilers such as TVM and TensorRT are increasingly being used to optimize deep neural network (DNN) models to meet performance, resource utilization and other requirements. Bugs in these compilers can result in models whose semantics differ from the original ones, producing incorrect results that corrupt the correctness of downstream applications. However, finding bugs in these compilers is challenging due to their complexity. In this work, we propose a new fuzz testing approach for finding bugs in deep-learning compilers. Our core approach consists of (i) generating diverse yet valid DNN test models that can exercise a large part of the compiler's transformation logic using light-weight operator specifications; (ii) performing gradient-based search to find model inputs that avoid any floating-point exceptional values during model execution, reducing the chance of missed bugs or false alarms; and (iii) using differential testing to identify bugs. We implemented this approach in NNSmith which has found 72 new bugs for TVM, TensorRT, ONNXRuntime, and PyTorch to date. Of these 58 have been confirmed and 51 have been fixed by their respective project maintainers.

Multimodal fusion has made great progress in the field of remote sensing image classification due to its ability to exploit the complementary spatial-spectral information. Deep learning methods such as CNN and Transformer have been widely used in these domains. State Space Models recently highlighted that prior methods suffer from quadratic computational complexity. As a result, modeling longer-range dependencies of spatial-spectral features imposes an overwhelming burden on the network. Mamba solves this problem by incorporating time-varying parameters into ordinary SSM and performing hardware optimization, but it cannot perform feature fusion directly. In order to make full use of Mamba's low computational burden and explore the potential of internal structure in multimodal feature fusion, we propose Cross State Fusion Mamba (CSFMamba) Network. Specifically, we first design the preprocessing module of remote sensing image information for the needs of Mamba structure, and combine it with CNN to extract multi-layer features. Secondly, a cross-state module based on Mamba operator is creatively designed to fully fuse the feature of the two modalities. The advantages of Mamba and CNN are combined by designing a more powerful backbone. We capture the fusion relationship between HSI and LiDAR modalities with stronger full-image understanding. The experimental results on two datasets of MUUFL and Houston2018 show that the proposed method outperforms the experimental results of Transformer under the premise of reducing the network training burden.

The scientific computation methods development in conjunction with artificial intelligence technologies remains a hot research topic. Finding a balance between lightweight and accurate computations is a solid foundation for this direction. The study presents a neural operator based on the dynamic mode decomposition algorithm (DMD), mapping functional spaces, which combines DMD and deep learning (DL) for spatiotemporal processes efficient modeling. Solving PDEs for various initial and boundary conditions requires significant computational resources. The method suggested automatically extracts key modes and system dynamics using them to construct predictions, reducing computational costs compared to traditional numerical methods. The approach has demonstrated its efficiency through comparative analysis of performance with closest analogues DeepONet and FNO in the heat equation, Laplaces equation, and Burgers equation solutions approximation, where it achieves high reconstruction accuracy.

Multivariable time series forecasting methods can integrate information from exogenous variables, leading to significant prediction accuracy gains. Transformer architecture has been widely applied in various time series forecasting models due to its ability to capture long-range sequential dependencies. However, a na\"ive application of transformers often struggles to effectively model complex relationships among variables over time. To mitigate against this, we propose a novel architecture, namely the Spectral Operator Neural Network (Sonnet). Sonnet applies learnable wavelet transformations to the input and incorporates spectral analysis using the Koopman operator. Its predictive skill relies on the Multivariable Coherence Attention (MVCA), an operation that leverages spectral coherence to model variable dependencies. Our empirical analysis shows that Sonnet yields the best performance on 34 out of 47 forecasting tasks with an average mean absolute error (MAE) reduction of 1.1% against the most competitive baseline (different per task). We further show that MVCA -- when put in place of the na\"ive attention used in various deep learning models -- can remedy its deficiencies, reducing MAE by 10.7% on average in the most challenging forecasting tasks.

Generative models in function spaces, situated at the intersection of generative modeling and operator learning, are attracting increasing attention due to their immense potential in diverse scientific and engineering applications. While functional generative models are theoretically domain- and discretization-agnostic, current implementations heavily rely on the Fourier Neural Operator (FNO), limiting their applicability to regular grids and rectangular domains. To overcome these critical limitations, we introduce the Mesh-Informed Neural Operator (MINO). By leveraging graph neural operators and cross-attention mechanisms, MINO offers a principled, domain- and discretization-agnostic backbone for generative modeling in function spaces. This advancement significantly expands the scope of such models to more diverse applications in generative, inverse, and regression tasks. Furthermore, MINO provides a unified perspective on integrating neural operators with general advanced deep learning architectures. Finally, we introduce a suite of standardized evaluation metrics that enable objective comparison of functional generative models, addressing another critical gap in the field.

Given ample experimental data from a system governed by differential equations, it is possible to use deep learning techniques to construct the underlying differential operators. In this work we perform symbolic discovery of differential operators in a situation where there is sparse experimental data. This small data regime in machine learning can be made tractable by providing our algorithms with prior information about the underlying dynamics. Physics Informed Neural Networks (PINNs) have been very successful in this regime (reconstructing entire ODE solutions using only a single point or entire PDE solutions with very few measurements of the initial condition). We modify the PINN approach by adding a neural network that learns a representation of unknown hidden terms in the differential equation. The algorithm yields both a surrogate solution to the differential equation and a black-box representation of the hidden terms. These hidden term neural networks can then be converted into symbolic equations using symbolic regression techniques like AI Feynman. In order to achieve convergence of these neural networks, we provide our algorithms with (noisy) measurements of both the initial condition as well as (synthetic) experimental data obtained at later times. We demonstrate strong performance of this approach even when provided with very few measurements of noisy data in both the ODE and PDE regime.

The automatic generation of deep learning (DL) kernels using large language models (LLMs) has emerged as a promising approach to reduce the manual effort and hardware-specific expertise required for writing high-performance operator implementations. However, existing benchmarks for evaluating LLMs in this domain suffer from limited hardware support, coarse-grained kernel categorization, and imbalanced task coverage. To address these limitations, we introduce MultiKernelBench, the first comprehensive, multi-platform benchmark for LLM-based DL kernel generation. MultiKernelBench spans 285 tasks across 14 well-defined kernel categories and supports three major hardware platforms: Nvidia GPUs, Huawei NPUs, and Google TPUs. To enable future extensibility, we design a modular backend abstraction layer that decouples platform-specific logic from the core benchmarking infrastructure, allowing easy integration of new hardware platforms. We further propose a simple yet effective category-aware one-shot prompting method that improves generation quality by providing in-category exemplars. Through systematic evaluations of seven state-of-the-art LLMs, we reveal significant variation in task difficulty, poor generalization to platforms with less training exposure, and the effectiveness of targeted prompting strategies. MultiKernelBench is publicly available at https://github.com/wzzll123/MultiKernelBench.

During early optimization passes, compilers must make predictions for machine-dependent characteristics such as execution unit utilization, number of register spills, latency, throughput etc. to generate better code. Often a hand-written static/analytical hardware cost model is built into the compiler. However, the need for more sophisticated and varied predictions has become more pronounced with the development of deep learning compilers which need to optimize dataflow graphs. Such compilers usually employ a much higher level MLIR form as an IR representation before lowering to traditional LLVM-IR. A static/analytical cost model in such a scenario is cumbersome and error prone as the opcodes represent very high level algebraic/arithmetic operations. Hence, we develop a machine learning-based cost model for high-level MLIR which can predict different target variables of interest such as CPU/GPU/xPU utilization, instructions executed, register usage etc. By considering the incoming MLIR as a text input a la NLP models we can apply well-known techniques from modern NLP research to help predict hardware characteristics more accurately. We expect such precise ML-driven hardware cost models to guide our deep learning compiler in graph level optimizations around operator fusion, local memory allocation, kernel scheduling etc. as well as in many kernel-level optimizations such as loop interchange, LICM and unroll. We report early work-in -progress results of developing such models on high-level MLIR representing dataflow graphs emitted by Pytorch/Tensorflow-like frameworks as well as lower-level dialects like affine. We show that these models can provide reasonably good estimates with low error bounds for various hardware characteristics of interest and can be a go-to mechanism for hardware cost modelling in the future.

Despite recent progress in optimal hyperparameter transfer under model and dataset scaling, no unifying explanatory principle has been established. Using the Scion optimizer, we discover that joint optimal scaling across model and dataset sizes is governed by a single invariant: the operator norm of the output layer. Across models with up to 1.3B parameters trained on up to 138B tokens, the optimal learning rate/batch size pair (eta^{ast}, B^{ast}) consistently has the same operator norm value - a phenomenon we term norm transfer. This constant norm condition is necessary but not sufficient: while for each dataset size, multiple (eta, B) reach the optimal norm, only a unique (eta^{ast}, B^{ast}) achieves the best loss. As a sufficient condition, we provide the first measurement of (eta^{ast}, B^{ast}) scaling with dataset size for Scion, and find that the scaling rules are consistent with those of the Adam optimizer. Tuning per-layer-group learning rates also improves model performance, with the output layer being the most sensitive and hidden layers benefiting from lower learning rates. We provide practical insights on norm-guided optimal scaling and release our Distributed Scion (Disco) implementation with logs from over two thousand runs to support research on LLM training dynamics at scale.

Deep models have achieved impressive progress in solving partial differential equations (PDEs). A burgeoning paradigm is learning neural operators to approximate the input-output mappings of PDEs. While previous deep models have explored the multiscale architectures and various operator designs, they are limited to learning the operators as a whole in the coordinate space. In real physical science problems, PDEs are complex coupled equations with numerical solvers relying on discretization into high-dimensional coordinate space, which cannot be precisely approximated by a single operator nor efficiently learned due to the curse of dimensionality. We present Latent Spectral Models (LSM) toward an efficient and precise solver for high-dimensional PDEs. Going beyond the coordinate space, LSM enables an attention-based hierarchical projection network to reduce the high-dimensional data into a compact latent space in linear time. Inspired by classical spectral methods in numerical analysis, we design a neural spectral block to solve PDEs in the latent space that approximates complex input-output mappings via learning multiple basis operators, enjoying nice theoretical guarantees for convergence and approximation. Experimentally, LSM achieves consistent state-of-the-art and yields a relative gain of 11.5% averaged on seven benchmarks covering both solid and fluid physics. Code is available at https://github.com/thuml/Latent-Spectral-Models.

Quality-Diversity algorithms, such as MAP-Elites, are a branch of Evolutionary Computation generating collections of diverse and high-performing solutions, that have been successfully applied to a variety of domains and particularly in evolutionary robotics. However, MAP-Elites performs a divergent search based on random mutations originating from Genetic Algorithms, and thus, is limited to evolving populations of low-dimensional solutions. PGA-MAP-Elites overcomes this limitation by integrating a gradient-based variation operator inspired by Deep Reinforcement Learning which enables the evolution of large neural networks. Although high-performing in many environments, PGA-MAP-Elites fails on several tasks where the convergent search of the gradient-based operator does not direct mutations towards archive-improving solutions. In this work, we present two contributions: (1) we enhance the Policy Gradient variation operator with a descriptor-conditioned critic that improves the archive across the entire descriptor space, (2) we exploit the actor-critic training to learn a descriptor-conditioned policy at no additional cost, distilling the knowledge of the archive into one single versatile policy that can execute the entire range of behaviors contained in the archive. Our algorithm, DCG-MAP-Elites improves the QD score over PGA-MAP-Elites by 82% on average, on a set of challenging locomotion tasks.

Convolution has been the core ingredient of modern neural networks, triggering the surge of deep learning in vision. In this work, we rethink the inherent principles of standard convolution for vision tasks, specifically spatial-agnostic and channel-specific. Instead, we present a novel atomic operation for deep neural networks by inverting the aforementioned design principles of convolution, coined as involution. We additionally demystify the recent popular self-attention operator and subsume it into our involution family as an over-complicated instantiation. The proposed involution operator could be leveraged as fundamental bricks to build the new generation of neural networks for visual recognition, powering different deep learning models on several prevalent benchmarks, including ImageNet classification, COCO detection and segmentation, together with Cityscapes segmentation. Our involution-based models improve the performance of convolutional baselines using ResNet-50 by up to 1.6% top-1 accuracy, 2.5% and 2.4% bounding box AP, and 4.7% mean IoU absolutely while compressing the computational cost to 66%, 65%, 72%, and 57% on the above benchmarks, respectively. Code and pre-trained models for all the tasks are available at https://github.com/d-li14/involution.

In recent years, large convolutional neural networks have been widely used as tools for image deblurring, because of their ability in restoring images very precisely. It is well known that image deblurring is mathematically modeled as an ill-posed inverse problem and its solution is difficult to approximate when noise affects the data. Really, one limitation of neural networks for deblurring is their sensitivity to noise and other perturbations, which can lead to instability and produce poor reconstructions. In addition, networks do not necessarily take into account the numerical formulation of the underlying imaging problem, when trained end-to-end. In this paper, we propose some strategies to improve stability without losing to much accuracy to deblur images with deep-learning based methods. First, we suggest a very small neural architecture, which reduces the execution time for training, satisfying a green AI need, and does not extremely amplify noise in the computed image. Second, we introduce a unified framework where a pre-processing step balances the lack of stability of the following, neural network-based, step. Two different pre-processors are presented: the former implements a strong parameter-free denoiser, and the latter is a variational model-based regularized formulation of the latent imaging problem. This framework is also formally characterized by mathematical analysis. Numerical experiments are performed to verify the accuracy and stability of the proposed approaches for image deblurring when unknown or not-quantified noise is present; the results confirm that they improve the network stability with respect to noise. In particular, the model-based framework represents the most reliable trade-off between visual precision and robustness.

We address the challenge of sound propagation simulations in 3D virtual rooms with moving sources, which have applications in virtual/augmented reality, game audio, and spatial computing. Solutions to the wave equation can describe wave phenomena such as diffraction and interference. However, simulating them using conventional numerical discretization methods with hundreds of source and receiver positions is intractable, making stimulating a sound field with moving sources impractical. To overcome this limitation, we propose using deep operator networks to approximate linear wave-equation operators. This enables the rapid prediction of sound propagation in realistic 3D acoustic scenes with moving sources, achieving millisecond-scale computations. By learning a compact surrogate model, we avoid the offline calculation and storage of impulse responses for all relevant source/listener pairs. Our experiments, including various complex scene geometries, show good agreement with reference solutions, with root mean squared errors ranging from 0.02 Pa to 0.10 Pa. Notably, our method signifies a paradigm shift as no prior machine learning approach has achieved precise predictions of complete wave fields within realistic domains. We anticipate that our findings will drive further exploration of deep neural operator methods, advancing research in immersive user experiences within virtual environments.

In the era of cloud computing and data-driven applications, it is crucial to protect sensitive information to maintain data privacy, ensuring truly reliable systems. As a result, preserving privacy in deep learning systems has become a critical concern. Existing methods for privacy preservation rely on image encryption or perceptual transformation approaches. However, they often suffer from reduced task performance and high computational costs. To address these challenges, we propose a novel Privacy-Preserving framework that uses a set of deformable operators for secure task learning. Our method involves shuffling pixels during the analog-to-digital conversion process to generate visually protected data. Those are then fed into a well-known network enhanced with deformable operators. Using our approach, users can achieve equivalent performance to original images without additional training using a secret key. Moreover, our method enables access control against unauthorized users. Experimental results demonstrate the efficacy of our approach, showcasing its potential in cloud-based scenarios and privacy-sensitive applications.

We tackle the problem of developing humanoid loco-manipulation skills with deep imitation learning. The difficulty of collecting task demonstrations and training policies for humanoids with a high degree of freedom presents substantial challenges. We introduce TRILL, a data-efficient framework for training humanoid loco-manipulation policies from human demonstrations. In this framework, we collect human demonstration data through an intuitive Virtual Reality (VR) interface. We employ the whole-body control formulation to transform task-space commands by human operators into the robot's joint-torque actuation while stabilizing its dynamics. By employing high-level action abstractions tailored for humanoid loco-manipulation, our method can efficiently learn complex sensorimotor skills. We demonstrate the effectiveness of TRILL in simulation and on a real-world robot for performing various loco-manipulation tasks. Videos and additional materials can be found on the project page: https://ut-austin-rpl.github.io/TRILL.

Malware has become a formidable threat as it has been growing exponentially in number and sophistication, thus, it is imperative to have a solution that is easy to implement, reliable, and effective. While recent research has introduced deep learning multi-feature fusion algorithms, they lack a proper explanation. In this work, we investigate the power of fusing Convolutional Neural Network models trained on different modalities of a malware executable. We are proposing a novel multimodal fusion algorithm, leveraging three different visual malware features: Grayscale Image, Entropy Graph, and SimHash Image, with which we conducted exhaustive experiments independently on each feature and combinations of all three of them using fusion operators such as average, maximum, add, and concatenate for effective malware detection and classification. The proposed strategy has a detection rate of 1.00 (on a scale of 0-1) in identifying malware in the given dataset. We explained its interpretability with visualization techniques such as t-SNE and Grad-CAM. Experimental results show the model works even for a highly imbalanced dataset. We also assessed the effectiveness of the proposed method on obfuscated malware and achieved state-of-the-art results. The proposed methodology is more reliable as our findings prove VGG16 model can detect and classify malware in a matter of seconds in real-time.

Automatic estimation of cardiac ultrasound image quality can be beneficial for guiding operators and ensuring the accuracy of clinical measurements. Previous work often fails to distinguish the view correctness of the echocardiogram from the image quality. Additionally, previous studies only provide a global image quality value, which limits their practical utility. In this work, we developed and compared three methods to estimate image quality: 1) classic pixel-based metrics like the generalized contrast-to-noise ratio (gCNR) on myocardial segments as region of interest and left ventricle lumen as background, obtained using a U-Net segmentation 2) local image coherence derived from a U-Net model that predicts coherence from B-Mode images 3) a deep convolutional network that predicts the quality of each region directly in an end-to-end fashion. We evaluate each method against manual regional image quality annotations by three experienced cardiologists. The results indicate poor performance of the gCNR metric, with Spearman correlation to the annotations of rho = 0.24. The end-to-end learning model obtains the best result, rho = 0.69, comparable to the inter-observer correlation, rho = 0.63. Finally, the coherence-based method, with rho = 0.58, outperformed the classical metrics and is more generic than the end-to-end approach.

Enabling On-Device Learning (ODL) for Ultra-Low-Power Micro-Controller Units (MCUs) is a key step for post-deployment adaptation and fine-tuning of Deep Neural Network (DNN) models in future TinyML applications. This paper tackles this challenge by introducing a novel reduced precision optimization technique for ODL primitives on MCU-class devices, leveraging the State-of-Art advancements in RISC-V RV32 architectures with support for vectorized 16-bit floating-point (FP16) Single-Instruction Multiple-Data (SIMD) operations. Our approach for the Forward and Backward steps of the Back-Propagation training algorithm is composed of specialized shape transform operators and Matrix Multiplication (MM) kernels, accelerated with parallelization and loop unrolling. When evaluated on a single training step of a 2D Convolution layer, the SIMD-optimized FP16 primitives result up to 1.72times faster than the FP32 baseline on a RISC-V-based 8+1-core MCU. An average computing efficiency of 3.11 Multiply and Accumulate operations per clock cycle (MAC/clk) and 0.81 MAC/clk is measured for the end-to-end training tasks of a ResNet8 and a DS-CNN for Image Classification and Keyword Spotting, respectively -- requiring 17.1 ms and 6.4 ms on the target platform to compute a training step on a single sample. Overall, our approach results more than two orders of magnitude faster than existing ODL software frameworks for single-core MCUs and outperforms by 1.6 times previous FP32 parallel implementations on a Continual Learning setup.

In recent years, applying deep learning to solve physics problems has attracted much attention. Data-driven deep learning methods produce fast numerical operators that can learn approximate solutions to the whole system of partial differential equations (i.e., surrogate modeling). Although these neural networks may have lower accuracy than traditional numerical methods, they, once trained, are orders of magnitude faster at inference. Hence, one crucial feature is that these operators can generalize to unseen PDE parameters without expensive re-training.In this paper, we construct CFDBench, a benchmark tailored for evaluating the generalization ability of neural operators after training in computational fluid dynamics (CFD) problems. It features four classic CFD problems: lid-driven cavity flow, laminar boundary layer flow in circular tubes, dam flows through the steps, and periodic Karman vortex street. The data contains a total of 302K frames of velocity and pressure fields, involving 739 cases with different operating condition parameters, generated with numerical methods. We evaluate the effectiveness of popular neural operators including feed-forward networks, DeepONet, FNO, U-Net, etc. on CFDBnech by predicting flows with non-periodic boundary conditions, fluid properties, and flow domain shapes that are not seen during training. Appropriate modifications were made to apply popular deep neural networks to CFDBench and enable the accommodation of more changing inputs. Empirical results on CFDBench show many baseline models have errors as high as 300% in some problems, and severe error accumulation when performing autoregressive inference. CFDBench facilitates a more comprehensive comparison between different neural operators for CFD compared to existing benchmarks.

FourCastNet, short for Fourier Forecasting Neural Network, is a global data-driven weather forecasting model that provides accurate short to medium-range global predictions at 0.25^{circ} resolution. FourCastNet accurately forecasts high-resolution, fast-timescale variables such as the surface wind speed, precipitation, and atmospheric water vapor. It has important implications for planning wind energy resources, predicting extreme weather events such as tropical cyclones, extra-tropical cyclones, and atmospheric rivers. FourCastNet matches the forecasting accuracy of the ECMWF Integrated Forecasting System (IFS), a state-of-the-art Numerical Weather Prediction (NWP) model, at short lead times for large-scale variables, while outperforming IFS for variables with complex fine-scale structure, including precipitation. FourCastNet generates a week-long forecast in less than 2 seconds, orders of magnitude faster than IFS. The speed of FourCastNet enables the creation of rapid and inexpensive large-ensemble forecasts with thousands of ensemble-members for improving probabilistic forecasting. We discuss how data-driven deep learning models such as FourCastNet are a valuable addition to the meteorology toolkit to aid and augment NWP models.

Compressing a predefined deep neural network (DNN) into a compact sub-network with competitive performance is crucial in the efficient machine learning realm. This topic spans various techniques, from structured pruning to neural architecture search, encompassing both pruning and erasing operators perspectives. Despite advancements, existing methods suffers from complex, multi-stage processes that demand substantial engineering and domain knowledge, limiting their broader applications. We introduce the third-generation Only-Train-Once (OTOv3), which first automatically trains and compresses a general DNN through pruning and erasing operations, creating a compact and competitive sub-network without the need of fine-tuning. OTOv3 simplifies and automates the training and compression process, minimizes the engineering efforts required from users. It offers key technological advancements: (i) automatic search space construction for general DNNs based on dependency graph analysis; (ii) Dual Half-Space Projected Gradient (DHSPG) and its enhanced version with hierarchical search (H2SPG) to reliably solve (hierarchical) structured sparsity problems and ensure sub-network validity; and (iii) automated sub-network construction using solutions from DHSPG/H2SPG and dependency graphs. Our empirical results demonstrate the efficacy of OTOv3 across various benchmarks in structured pruning and neural architecture search. OTOv3 produces sub-networks that match or exceed the state-of-the-arts. The source code will be available at https://github.com/tianyic/only_train_once.

Triton, a high-level Python-like language designed for building efficient GPU kernels, is widely adopted in deep learning frameworks due to its portability, flexibility, and accessibility. However, programming and parallel optimization still require considerable trial and error from Triton developers. Despite advances in large language models (LLMs) for conventional code generation, these models struggle to generate accurate, performance-optimized Triton code, as they lack awareness of its specifications and the complexities of GPU programming. More critically, there is an urgent need for systematic evaluations tailored to Triton. In this work, we introduce TritonBench, the first comprehensive benchmark for Triton operator generation. TritonBench features two evaluation channels: a curated set of 184 real-world operators from GitHub and a collection of operators aligned with PyTorch interfaces. Unlike conventional code benchmarks prioritizing functional correctness, TritonBench also profiles efficiency performance on widely deployed GPUs aligned with industry applications. Our study reveals that current state-of-the-art code LLMs struggle to generate efficient Triton operators, highlighting a significant gap in high-performance code generation. TritonBench will be available at https://github.com/thunlp/TritonBench.

Deep learning frameworks commonly implement convolution operators with GEMM-based algorithms. In these algorithms, convolution is implemented on top of matrix-matrix multiplication (GEMM) functions, provided by highly optimized BLAS libraries. Convolutions with 1x1 kernels can be directly represented as a GEMM call, but convolutions with larger kernels require a special memory layout transformation - im2col or im2row - to fit into GEMM interface. The Indirect Convolution algorithm provides the efficiency of the GEMM primitive without the overhead of im2col transformation. In contrast to GEMM-based algorithms, the Indirect Convolution does not reshuffle the data to fit into the GEMM primitive but introduces an indirection buffer - a buffer of pointers to the start of each row of image pixels. This broadens the application of our modified GEMM function to convolutions with arbitrary kernel size, padding, stride, and dilation. The Indirect Convolution algorithm reduces memory overhead proportionally to the number of input channels and outperforms the GEMM-based algorithm by up to 62% on convolution parameters which involve im2col transformations in GEMM-based algorithms. This, however, comes at cost of minor performance reduction on 1x1 stride-1 convolutions.

Deep Learning (DL) is prevalently used in various industries to improve decision-making and automate processes, driven by the ever-evolving DL libraries and compilers. The correctness of DL systems is crucial for trust in DL applications. As such, the recent wave of research has been studying the automated synthesis of test-cases (i.e., DNN models and their inputs) for fuzzing DL systems. However, existing model generators only subsume a limited number of operators, lacking the ability to pervasively model operator constraints. To address this challenge, we propose NeuRI, a fully automated approach for generating valid and diverse DL models composed of hundreds of types of operators. NeuRI adopts a three-step process: (i) collecting valid and invalid API traces from various sources; (ii) applying inductive program synthesis over the traces to infer the constraints for constructing valid models; and (iii) using hybrid model generation which incorporates both symbolic and concrete operators. Our evaluation shows that NeuRI improves branch coverage of TensorFlow and PyTorch by 24% and 15% over the state-of-the-art model-level fuzzers. NeuRI finds 100 new bugs for PyTorch and TensorFlow in four months, with 81 already fixed or confirmed. Of these, 9 bugs are labelled as high priority or security vulnerability, constituting 10% of all high-priority bugs of the period. Open-source developers regard error-inducing tests reported by us as "high-quality" and "common in practice".

Modern Deep Learning (DL) architectures based on transformers (e.g., BERT, RoBERTa) are exhibiting performance improvements across a number of natural language tasks. While such DL models have shown tremendous potential for use in software engineering applications, they are often hampered by insufficient training data. Particularly constrained are applications that require project-specific data, such as bug localization, which aims at recommending code to fix a newly submitted bug report. Deep learning models for bug localization require a substantial training set of fixed bug reports, which are at a limited quantity even in popular and actively developed software projects. In this paper, we examine the effect of using synthetic training data on transformer-based DL models that perform a more complex variant of bug localization, which has the goal of retrieving bug-inducing changesets for each bug report. To generate high-quality synthetic data, we propose novel data augmentation operators that act on different constituent components of bug reports. We also describe a data balancing strategy that aims to create a corpus of augmented bug reports that better reflects the entire source code base, because existing bug reports used as training data usually reference a small part of the code base.

At present, different deep learning models are presenting high accuracy on popular inference datasets such as SNLI, MNLI, and SciTail. However, there are different indicators that those datasets can be exploited by using some simple linguistic patterns. This fact poses difficulties to our understanding of the actual capacity of machine learning models to solve the complex task of textual inference. We propose a new set of syntactic tasks focused on contradiction detection that require specific capacities over linguistic logical forms such as: Boolean coordination, quantifiers, definite description, and counting operators. We evaluate two kinds of deep learning models that implicitly exploit language structure: recurrent models and the Transformer network BERT. We show that although BERT is clearly more efficient to generalize over most logical forms, there is space for improvement when dealing with counting operators. Since the syntactic tasks can be implemented in different languages, we show a successful case of cross-lingual transfer learning between English and Portuguese.

We present ConDiff, a novel dataset for scientific machine learning. ConDiff focuses on the parametric diffusion equation with space dependent coefficients, a fundamental problem in many applications of partial differential equations (PDEs). The main novelty of the proposed dataset is that we consider discontinuous coefficients with high contrast. These coefficient functions are sampled from a selected set of distributions. This class of problems is not only of great academic interest, but is also the basis for describing various environmental and industrial problems. In this way, ConDiff shortens the gap with real-world problems while remaining fully synthetic and easy to use. ConDiff consists of a diverse set of diffusion equations with coefficients covering a wide range of contrast levels and heterogeneity with a measurable complexity metric for clearer comparison between different coefficient functions. We baseline ConDiff on standard deep learning models in the field of scientific machine learning. By providing a large number of problem instances, each with its own coefficient function and right-hand side, we hope to encourage the development of novel physics-based deep learning approaches, such as neural operators, ultimately driving progress towards more accurate and efficient solutions of complex PDE problems.