Daily Papers

Egocentric hand-object motion generation is crucial for immersive AR/VR and robotic imitation but remains challenging due to unstable viewpoints, self-occlusions, perspective distortion, and noisy ego-motion. Existing methods rely on predefined 3D object priors, limiting generalization to novel objects, which restricts their generalizability to novel objects. Meanwhile, recent multimodal approaches suffer from ambiguous generation from abstract textual cues, intricate pipelines for modeling 3D hand-object correlation, and compounding errors in open-loop prediction. We propose MEgoHand, a multimodal framework that synthesizes physically plausible hand-object interactions from egocentric RGB, text, and initial hand pose. MEgoHand introduces a bi-level architecture: a high-level "cerebrum" leverages a vision language model (VLM) to infer motion priors from visual-textual context and a monocular depth estimator for object-agnostic spatial reasoning, while a low-level DiT-based flow-matching policy generates fine-grained trajectories with temporal orthogonal filtering to enhance stability. To address dataset inconsistency, we design a dataset curation paradigm with an Inverse MANO Retargeting Network and Virtual RGB-D Renderer, curating a unified dataset of 3.35M RGB-D frames, 24K interactions, and 1.2K objects. Extensive experiments across five in-domain and two cross-domain datasets demonstrate the effectiveness of MEgoHand, achieving substantial reductions in wrist translation error (86.9%) and joint rotation error (34.1%), highlighting its capacity to accurately model fine-grained hand joint structures and generalize robustly across diverse scenarios.

While large language models (LLMs) have emerged as a significant advancement in artificial intelligence, the hardware and computational costs for training LLMs are also significantly burdensome. Among the state-of-the-art optimizers, AdamW relies on diagonal curvature estimates and ignores structural properties, while Muon applies global spectral normalization at the expense of losing curvature information. In this study, we restriked manifold optimization methods for training LLMs, which may address both optimizers' limitations, while conventional manifold optimization methods have been largely overlooked due to the poor performance in large-scale model optimization. By innovatively projecting the momentum onto the tangent space of model parameters and constraining it on a rotational Oblique manifold, we propose a novel, powerful, and efficient optimizer **Mano** that is the first to bridge the performance gap between manifold optimization and modern optimizers. Extensive experiments on the LLaMA and Qwen3 models demonstrate that Mano consistently and significantly outperforms AdamW and Muon even with less memory consumption and computational complexity, respectively, suggesting an expanded Pareto frontier in terms of space and time efficiency.

It is widely believed that the success of deep convolutional networks is based on progressively discarding uninformative variability about the input with respect to the problem at hand. This is supported empirically by the difficulty of recovering images from their hidden representations, in most commonly used network architectures. In this paper we show via a one-to-one mapping that this loss of information is not a necessary condition to learn representations that generalize well on complicated problems, such as ImageNet. Via a cascade of homeomorphic layers, we build the i-RevNet, a network that can be fully inverted up to the final projection onto the classes, i.e. no information is discarded. Building an invertible architecture is difficult, for one, because the local inversion is ill-conditioned, we overcome this by providing an explicit inverse. An analysis of i-RevNets learned representations suggests an alternative explanation for the success of deep networks by a progressive contraction and linear separation with depth. To shed light on the nature of the model learned by the i-RevNet we reconstruct linear interpolations between natural image representations.

We develop an analytical framework to characterize the set of optimal ReLU neural networks by reformulating the non-convex training problem as a convex program. We show that the global optima of the convex parameterization are given by a polyhedral set and then extend this characterization to the optimal set of the non-convex training objective. Since all stationary points of the ReLU training problem can be represented as optima of sub-sampled convex programs, our work provides a general expression for all critical points of the non-convex objective. We then leverage our results to provide an optimal pruning algorithm for computing minimal networks, establish conditions for the regularization path of ReLU networks to be continuous, and develop sensitivity results for minimal ReLU networks.

Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of accounting for the symmetries and geometry of parameter spaces. However, those works developed architectures tailored to specific networks such as MLPs and CNNs without normalization layers, and generalizing such architectures to other types of networks can be challenging. In this work, we overcome these challenges by building new metanetworks - neural networks that take weights from other neural networks as input. Put simply, we carefully build graphs representing the input neural networks and process the graphs using graph neural networks. Our approach, Graph Metanetworks (GMNs), generalizes to neural architectures where competing methods struggle, such as multi-head attention layers, normalization layers, convolutional layers, ResNet blocks, and group-equivariant linear layers. We prove that GMNs are expressive and equivariant to parameter permutation symmetries that leave the input neural network functions unchanged. We validate the effectiveness of our method on several metanetwork tasks over diverse neural network architectures.

Normalizing Flows (NFs) have been established as a principled framework for generative modeling. Standard NFs consist of a forward process and a reverse process: the forward process maps data to noise, while the reverse process generates samples by inverting it. Typical NF forward transformations are constrained by explicit invertibility, ensuring that the reverse process can serve as their exact analytic inverse. Recent developments in TARFlow and its variants have revitalized NF methods by combining Transformers and autoregressive flows, but have also exposed causal decoding as a major bottleneck. In this work, we introduce Bidirectional Normalizing Flow (BiFlow), a framework that removes the need for an exact analytic inverse. BiFlow learns a reverse model that approximates the underlying noise-to-data inverse mapping, enabling more flexible loss functions and architectures. Experiments on ImageNet demonstrate that BiFlow, compared to its causal decoding counterpart, improves generation quality while accelerating sampling by up to two orders of magnitude. BiFlow yields state-of-the-art results among NF-based methods and competitive performance among single-evaluation ("1-NFE") methods. Following recent encouraging progress on NFs, we hope our work will draw further attention to this classical paradigm.

This work introduces RevSilo, the first reversible bidirectional multi-scale feature fusion module. Like other reversible methods, RevSilo eliminates the need to store hidden activations by recomputing them. However, existing reversible methods do not apply to multi-scale feature fusion and are, therefore, not applicable to a large class of networks. Bidirectional multi-scale feature fusion promotes local and global coherence and has become a de facto design principle for networks targeting spatially sensitive tasks, e.g., HRNet (Sun et al., 2019a) and EfficientDet (Tan et al., 2020). These networks achieve state-of-the-art results across various computer vision tasks when paired with high-resolution inputs. However, training them requires substantial accelerator memory for saving large, multi-resolution activations. These memory requirements inherently cap the size of neural networks, limiting improvements that come from scale. Operating across resolution scales, RevSilo alleviates these issues. Stacking RevSilos, we create RevBiFPN, a fully reversible bidirectional feature pyramid network. RevBiFPN is competitive with networks such as EfficientNet while using up to 19.8x lesser training memory for image classification. When fine-tuned on MS COCO, RevBiFPN provides up to a 2.5% boost in AP over HRNet using fewer MACs and a 2.4x reduction in training-time memory.

We study the problem of learning optimal policy from a set of discrete treatment options using observational data. We propose a piecewise linear neural network model that can balance strong prescriptive performance and interpretability, which we refer to as the prescriptive ReLU network, or P-ReLU. We show analytically that this model (i) partitions the input space into disjoint polyhedra, where all instances that belong to the same partition receive the same treatment, and (ii) can be converted into an equivalent prescriptive tree with hyperplane splits for interpretability. We demonstrate the flexibility of the P-ReLU network as constraints can be easily incorporated with minor modifications to the architecture. Through experiments, we validate the superior prescriptive accuracy of P-ReLU against competing benchmarks. Lastly, we present examples of interpretable prescriptive trees extracted from trained P-ReLUs using a real-world dataset, for both the unconstrained and constrained scenarios.

Token-level reweighting is a simple yet effective mechanism for controlling supervised fine-tuning, but common indicators are largely one-dimensional: the ground-truth probability reflects downstream alignment, while token entropy reflects intrinsic uncertainty induced by the pre-training prior. Ignoring entropy can misidentify noisy or easily replaceable tokens as learning-critical, while ignoring probability fails to reflect target-specific alignment. RankTuner introduces a probability--entropy calibration signal, the Relative Rank Indicator, which compares the rank of the ground-truth token with its expected rank under the prediction distribution. The inverse indicator is used as a token-wise Relative Scale to reweight the fine-tuning objective, focusing updates on truly under-learned tokens without over-penalizing intrinsically uncertain positions. Experiments on multiple backbones show consistent improvements on mathematical reasoning benchmarks, transfer gains on out-of-distribution reasoning, and pre code generation performance over probability-only or entropy-only reweighting baselines.

This paper focuses on developing modern, efficient, lightweight models for dense predictions while trading off parameters, FLOPs, and performance. Inverted Residual Block (IRB) serves as the infrastructure for lightweight CNNs, but no counterpart has been recognized by attention-based studies. This work rethinks lightweight infrastructure from efficient IRB and effective components of Transformer from a unified perspective, extending CNN-based IRB to attention-based models and abstracting a one-residual Meta Mobile Block (MMB) for lightweight model design. Following simple but effective design criterion, we deduce a modern Inverted Residual Mobile Block (iRMB) and build a ResNet-like Efficient MOdel (EMO) with only iRMB for down-stream tasks. Extensive experiments on ImageNet-1K, COCO2017, and ADE20K benchmarks demonstrate the superiority of our EMO over state-of-the-art methods, e.g., EMO-1M/2M/5M achieve 71.5, 75.1, and 78.4 Top-1 that surpass equal-order CNN-/Attention-based models, while trading-off the parameter, efficiency, and accuracy well: running 2.8-4.0x faster than EdgeNeXt on iPhone14.

Understanding the properties of neural networks trained via stochastic gradient descent (SGD) is at the heart of the theory of deep learning. In this work, we take a mean-field view, and consider a two-layer ReLU network trained via SGD for a univariate regularized regression problem. Our main result is that SGD is biased towards a simple solution: at convergence, the ReLU network implements a piecewise linear map of the inputs, and the number of "knot" points - i.e., points where the tangent of the ReLU network estimator changes - between two consecutive training inputs is at most three. In particular, as the number of neurons of the network grows, the SGD dynamics is captured by the solution of a gradient flow and, at convergence, the distribution of the weights approaches the unique minimizer of a related free energy, which has a Gibbs form. Our key technical contribution consists in the analysis of the estimator resulting from this minimizer: we show that its second derivative vanishes everywhere, except at some specific locations which represent the "knot" points. We also provide empirical evidence that knots at locations distinct from the data points might occur, as predicted by our theory.

Mechanistic Interpretability aims to reverse engineer the algorithms implemented by neural networks by studying their weights and activations. An obstacle to reverse engineering neural networks is that many of the parameters inside a network are not involved in the computation being implemented by the network. These degenerate parameters may obfuscate internal structure. Singular learning theory teaches us that neural network parameterizations are biased towards being more degenerate, and parameterizations with more degeneracy are likely to generalize further. We identify 3 ways that network parameters can be degenerate: linear dependence between activations in a layer; linear dependence between gradients passed back to a layer; ReLUs which fire on the same subset of datapoints. We also present a heuristic argument that modular networks are likely to be more degenerate, and we develop a metric for identifying modules in a network that is based on this argument. We propose that if we can represent a neural network in a way that is invariant to reparameterizations that exploit the degeneracies, then this representation is likely to be more interpretable, and we provide some evidence that such a representation is likely to have sparser interactions. We introduce the Interaction Basis, a tractable technique to obtain a representation that is invariant to degeneracies from linear dependence of activations or Jacobians.

Retargeting human motion to robot poses is a practical approach for teleoperating bimanual humanoid robot arms, but existing methods can be suboptimal and slow, often causing undesirable motion or latency. This is due to optimizing to match robot end-effector to human hand position and orientation, which can also limit the robot's workspace to that of the human. Instead, this paper reframes retargeting as an orientation alignment problem, enabling a closed-form, geometric solution algorithm with an optimality guarantee. The key idea is to align a robot arm to a human's upper and lower arm orientations, as identified from shoulder, elbow, and wrist (SEW) keypoints; hence, the method is called SEW-Mimic. The method has fast inference (3 kHz) on standard commercial CPUs, leaving computational overhead for downstream applications; an example in this paper is a safety filter to avoid bimanual self-collision. The method suits most 7-degree-of-freedom robot arms and humanoids, and is agnostic to input keypoint source. Experiments show that SEW-Mimic outperforms other retargeting methods in computation time and accuracy. A pilot user study suggests that the method improves teleoperation task success. Preliminary analysis indicates that data collected with SEW-Mimic improves policy learning due to being smoother. SEW-Mimic is also shown to be a drop-in way to accelerate full-body humanoid retargeting. Finally, hardware demonstrations illustrate SEW-Mimic's practicality. The results emphasize the utility of SEW-Mimic as a fundamental building block for bimanual robot manipulation and humanoid robot teleoperation.

Inverse of an invertible convolution is an important operation that comes up in Normalizing Flows, Image Deblurring, etc. The naive algorithm for backpropagation of this operation using Gaussian elimination has running time O(n^3) where n is the number of pixels in the image. We give a fast parallel backpropagation algorithm with running time O(n) for a square image and provide a GPU implementation of the same. Inverse Convolutions are usually used in Normalizing Flows in the sampling pass, making them slow. We propose to use Inverse Convolutions in the forward (image to latent vector) pass of the Normalizing flow. Since the sampling pass is the inverse of the forward pass, it will use convolutions only, resulting in efficient sampling times. We use our parallel backpropagation algorithm for optimizing the inverse convolution layer resulting in fast training times also. We implement this approach in various Normalizing Flow backbones, resulting in our Inverse-Flow models. We benchmark Inverse-Flow on standard datasets and show significantly improved sampling times with similar bits per dimension compared to previous models.

Humanoid motion tracking policies are central to building teleoperation pipelines and hierarchical controllers, yet they face a fundamental challenge: the embodiment gap between humans and humanoid robots. Current approaches address this gap by retargeting human motion data to humanoid embodiments and then training reinforcement learning (RL) policies to imitate these reference trajectories. However, artifacts introduced during retargeting, such as foot sliding, self-penetration, and physically infeasible motion are often left in the reference trajectories for the RL policy to correct. While prior work has demonstrated motion tracking abilities, they often require extensive reward engineering and domain randomization to succeed. In this paper, we systematically evaluate how retargeting quality affects policy performance when excessive reward tuning is suppressed. To address issues that we identify with existing retargeting methods, we propose a new retargeting method, General Motion Retargeting (GMR). We evaluate GMR alongside two open-source retargeters, PHC and ProtoMotions, as well as with a high-quality closed-source dataset from Unitree. Using BeyondMimic for policy training, we isolate retargeting effects without reward tuning. Our experiments on a diverse subset of the LAFAN1 dataset reveal that while most motions can be tracked, artifacts in retargeted data significantly reduce policy robustness, particularly for dynamic or long sequences. GMR consistently outperforms existing open-source methods in both tracking performance and faithfulness to the source motion, achieving perceptual fidelity and policy success rates close to the closed-source baseline. Website: https://jaraujo98.github.io/retargeting_matters. Code: https://github.com/YanjieZe/GMR.

Invertible neural networks (INNs) are neural network architectures with invertibility by design. Thanks to their invertibility and the tractability of Jacobian, INNs have various machine learning applications such as probabilistic modeling, generative modeling, and representation learning. However, their attractive properties often come at the cost of restricting the layer designs, which poses a question on their representation power: can we use these models to approximate sufficiently diverse functions? To answer this question, we have developed a general theoretical framework to investigate the representation power of INNs, building on a structure theorem of differential geometry. The framework simplifies the approximation problem of diffeomorphisms, which enables us to show the universal approximation properties of INNs. We apply the framework to two representative classes of INNs, namely Coupling-Flow-based INNs (CF-INNs) and Neural Ordinary Differential Equations (NODEs), and elucidate their high representation power despite the restrictions on their architectures.

Proximal operators are ubiquitous in inverse problems, commonly appearing as part of algorithmic strategies to regularize problems that are otherwise ill-posed. Modern deep learning models have been brought to bear for these tasks too, as in the framework of plug-and-play or deep unrolling, where they loosely resemble proximal operators. Yet, something essential is lost in employing these purely data-driven approaches: there is no guarantee that a general deep network represents the proximal operator of any function, nor is there any characterization of the function for which the network might provide some approximate proximal. This not only makes guaranteeing convergence of iterative schemes challenging but, more fundamentally, complicates the analysis of what has been learned by these networks about their training data. Herein we provide a framework to develop learned proximal networks (LPN), prove that they provide exact proximal operators for a data-driven nonconvex regularizer, and show how a new training strategy, dubbed proximal matching, provably promotes the recovery of the log-prior of the true data distribution. Such LPN provide general, unsupervised, expressive proximal operators that can be used for general inverse problems with convergence guarantees. We illustrate our results in a series of cases of increasing complexity, demonstrating that these models not only result in state-of-the-art performance, but provide a window into the resulting priors learned from data.

The exponential growth in numbers of parameters of neural networks over the past years has been accompanied by an increase in performance across several fields. However, due to their sheer size, the networks not only became difficult to interpret but also problematic to train and use in real-world applications, since hardware requirements increased accordingly. Tackling both issues, we present a novel approach that either drops a neural network's initial weights or inverts their respective sign. Put simply, a network is trained by weight selection and inversion without changing their absolute values. Our contribution extends previous work on masking by additionally sign-inverting the initial weights and follows the findings of the Lottery Ticket Hypothesis. Through this extension and adaptations of initialization methods, we achieve a pruning rate of up to 99%, while still matching or exceeding the performance of various baseline and previous models. Our approach has two main advantages. First, and most notable, signed Supermask models drastically simplify a model's structure, while still performing well on given tasks. Second, by reducing the neural network to its very foundation, we gain insights into which weights matter for performance. The code is available on GitHub.

We propose combining memory saving techniques with traditional U-Net architectures to increase the complexity of the models on the Brain Tumor Segmentation (BraTS) challenge. The BraTS challenge consists of a 3D segmentation of a 240x240x155x4 input image into a set of tumor classes. Because of the large volume and need for 3D convolutional layers, this task is very memory intensive. To address this, prior approaches use smaller cropped images while constraining the model's depth and width. Our 3D U-Net uses a reversible version of the mobile inverted bottleneck block defined in MobileNetV2, MnasNet and the more recent EfficientNet architectures to save activation memory during training. Using reversible layers enables the model to recompute input activations given the outputs of that layer, saving memory by eliminating the need to store activations during the forward pass. The inverted residual bottleneck block uses lightweight depthwise separable convolutions to reduce computation by decomposing convolutions into a pointwise convolution and a depthwise convolution. Further, this block inverts traditional bottleneck blocks by placing an intermediate expansion layer between the input and output linear 1x1 convolution, reducing the total number of channels. Given a fixed memory budget, with these memory saving techniques, we are able to train image volumes up to 3x larger, models with 25% more depth, or models with up to 2x the number of channels than a corresponding non-reversible network.

A large class of inverse problems for PDEs are only well-defined as mappings from operators to functions. Existing operator learning frameworks map functions to functions and need to be modified to learn inverse maps from data. We propose a novel architecture termed Neural Inverse Operators (NIOs) to solve these PDE inverse problems. Motivated by the underlying mathematical structure, NIO is based on a suitable composition of DeepONets and FNOs to approximate mappings from operators to functions. A variety of experiments are presented to demonstrate that NIOs significantly outperform baselines and solve PDE inverse problems robustly, accurately and are several orders of magnitude faster than existing direct and PDE-constrained optimization methods.

Designing machine learning architectures for processing neural networks in their raw weight matrix form is a newly introduced research direction. Unfortunately, the unique symmetry structure of deep weight spaces makes this design very challenging. If successful, such architectures would be capable of performing a wide range of intriguing tasks, from adapting a pre-trained network to a new domain to editing objects represented as functions (INRs or NeRFs). As a first step towards this goal, we present here a novel network architecture for learning in deep weight spaces. It takes as input a concatenation of weights and biases of a pre-trained MLP and processes it using a composition of layers that are equivariant to the natural permutation symmetry of the MLP's weights: Changing the order of neurons in intermediate layers of the MLP does not affect the function it represents. We provide a full characterization of all affine equivariant and invariant layers for these symmetries and show how these layers can be implemented using three basic operations: pooling, broadcasting, and fully connected layers applied to the input in an appropriate manner. We demonstrate the effectiveness of our architecture and its advantages over natural baselines in a variety of learning tasks.

We study the problem of functional retargeting: learning dexterous manipulation policies to track object states from human hand-object demonstrations. We focus on long-horizon, bimanual tasks with articulated objects, which is challenging due to large action space, spatiotemporal discontinuities, and embodiment gap between human and robot hands. We propose DexMachina, a novel curriculum-based algorithm: the key idea is to use virtual object controllers with decaying strength: an object is first driven automatically towards its target states, such that the policy can gradually learn to take over under motion and contact guidance. We release a simulation benchmark with a diverse set of tasks and dexterous hands, and show that DexMachina significantly outperforms baseline methods. Our algorithm and benchmark enable a functional comparison for hardware designs, and we present key findings informed by quantitative and qualitative results. With the recent surge in dexterous hand development, we hope this work will provide a useful platform for identifying desirable hardware capabilities and lower the barrier for contributing to future research. Videos and more at https://project-dexmachina.github.io/

Kolmogorov-Arnold Networks (KANs) have inspired numerous works exploring their applications across a wide range of scientific problems, with the potential to replace Multilayer Perceptrons (MLPs). While many KANs are designed using basis and polynomial functions, such as B-splines, ReLU-KAN utilizes a combination of ReLU functions to mimic the structure of B-splines and take advantage of ReLU's speed. However, ReLU-KAN is not built for multiple inputs, and its limitations stem from ReLU's handling of negative values, which can restrict feature extraction. To address these issues, we introduce Activation Function-Based Kolmogorov-Arnold Networks (AF-KAN), expanding ReLU-KAN with various activations and their function combinations. This novel KAN also incorporates parameter reduction methods, primarily attention mechanisms and data normalization, to enhance performance on image classification datasets. We explore different activation functions, function combinations, grid sizes, and spline orders to validate the effectiveness of AF-KAN and determine its optimal configuration. In the experiments, AF-KAN significantly outperforms MLP, ReLU-KAN, and other KANs with the same parameter count. It also remains competitive even when using fewer than 6 to 10 times the parameters while maintaining the same network structure. However, AF-KAN requires a longer training time and consumes more FLOPs. The repository for this work is available at https://github.com/hoangthangta/All-KAN.

Implicit Neural Representation (INR) as a mighty representation paradigm has achieved success in various computer vision tasks recently. Due to the low-frequency bias issue of vanilla multi-layer perceptron (MLP), existing methods have investigated advanced techniques, such as positional encoding and periodic activation function, to improve the accuracy of INR. In this paper, we connect the network training bias with the reparameterization technique and theoretically prove that weight reparameterization could provide us a chance to alleviate the spectral bias of MLP. Based on our theoretical analysis, we propose a Fourier reparameterization method which learns coefficient matrix of fixed Fourier bases to compose the weights of MLP. We evaluate the proposed Fourier reparameterization method on different INR tasks with various MLP architectures, including vanilla MLP, MLP with positional encoding and MLP with advanced activation function, etc. The superiority approximation results on different MLP architectures clearly validate the advantage of our proposed method. Armed with our Fourier reparameterization method, better INR with more textures and less artifacts can be learned from the training data.

The parameter space for any fixed architecture of feedforward ReLU neural networks serves as a proxy during training for the associated class of functions - but how faithful is this representation? It is known that many different parameter settings can determine the same function. Moreover, the degree of this redundancy is inhomogeneous: for some networks, the only symmetries are permutation of neurons in a layer and positive scaling of parameters at a neuron, while other networks admit additional hidden symmetries. In this work, we prove that, for any network architecture where no layer is narrower than the input, there exist parameter settings with no hidden symmetries. We also describe a number of mechanisms through which hidden symmetries can arise, and empirically approximate the functional dimension of different network architectures at initialization. These experiments indicate that the probability that a network has no hidden symmetries decreases towards 0 as depth increases, while increasing towards 1 as width and input dimension increase.

Differentiable architecture search (DARTS) is successfully applied in many vision tasks. However, directly using DARTS for Transformers is memory-intensive, which renders the search process infeasible. To this end, we propose a multi-split reversible network and combine it with DARTS. Specifically, we devise a backpropagation-with-reconstruction algorithm so that we only need to store the last layer's outputs. By relieving the memory burden for DARTS, it allows us to search with larger hidden size and more candidate operations. We evaluate the searched architecture on three sequence-to-sequence datasets, i.e., WMT'14 English-German, WMT'14 English-French, and WMT'14 English-Czech. Experimental results show that our network consistently outperforms standard Transformers across the tasks. Moreover, our method compares favorably with big-size Evolved Transformers, reducing search computation by an order of magnitude.

Recent work has shown that the training of a one-hidden-layer, scalar-output fully-connected ReLU neural network can be reformulated as a finite-dimensional convex program. Unfortunately, the scale of such a convex program grows exponentially in data size. In this work, we prove that a stochastic procedure with a linear complexity well approximates the exact formulation. Moreover, we derive a convex optimization approach to efficiently solve the "adversarial training" problem, which trains neural networks that are robust to adversarial input perturbations. Our method can be applied to binary classification and regression, and provides an alternative to the current adversarial training methods, such as Fast Gradient Sign Method (FGSM) and Projected Gradient Descent (PGD). We demonstrate in experiments that the proposed method achieves a noticeably better adversarial robustness and performance than the existing methods.

Normalizing Flows (NFs) are a class of generative models distinguished by a mathematically invertible architecture, where the forward pass transforms data into a latent space for density estimation, and the reverse pass generates new samples from this space. This characteristic creates an intrinsic synergy between representation learning and data generation. However, the generative quality of standard NFs is limited by poor semantic representations from log-likelihood optimization. To remedy this, we propose a novel alignment strategy that creatively leverages the invertibility of NFs: instead of regularizing the forward pass, we align the intermediate features of the generative (reverse) pass with representations from a powerful vision foundation model, demonstrating superior effectiveness over naive alignment. We also introduce a novel training-free, test-time optimization algorithm for classification, which provides a more intrinsic evaluation of the NF's embedded semantic knowledge. Comprehensive experiments demonstrate that our approach accelerates the training of NFs by over 3.3times, while simultaneously delivering significant improvements in both generative quality and classification accuracy. New state-of-the-art results for NFs are established on ImageNet 64times64 and 256times256. Our code is available at https://github.com/MCG-NJU/FlowBack.

We report the effects of replacing the scaled dot-product (within softmax) attention with the negative-log of Euclidean distance. This form of attention simplifies to inverse distance weighting interpolation. Used in simple one hidden layer networks and trained with vanilla cross-entropy loss on classification problems, it tends to produce a key matrix containing prototypes and a value matrix with corresponding logits. We also show that the resulting interpretable networks can be augmented with manually-constructed prototypes to perform low-impact handling of special cases.

We propose an algorithm for inexpensive gradient-based hyperparameter optimization that combines the implicit function theorem (IFT) with efficient inverse Hessian approximations. We present results about the relationship between the IFT and differentiating through optimization, motivating our algorithm. We use the proposed approach to train modern network architectures with millions of weights and millions of hyper-parameters. For example, we learn a data-augmentation network - where every weight is a hyperparameter tuned for validation performance - outputting augmented training examples. Jointly tuning weights and hyperparameters with our approach is only a few times more costly in memory and compute than standard training.

Batch Normalization is a key component in almost all state-of-the-art image classifiers, but it also introduces practical challenges: it breaks the independence between training examples within a batch, can incur compute and memory overhead, and often results in unexpected bugs. Building on recent theoretical analyses of deep ResNets at initialization, we propose a simple set of analysis tools to characterize signal propagation on the forward pass, and leverage these tools to design highly performant ResNets without activation normalization layers. Crucial to our success is an adapted version of the recently proposed Weight Standardization. Our analysis tools show how this technique preserves the signal in networks with ReLU or Swish activation functions by ensuring that the per-channel activation means do not grow with depth. Across a range of FLOP budgets, our networks attain performance competitive with the state-of-the-art EfficientNets on ImageNet.

Transformers have become the de facto standard for a wide range of tasks, from image classification to physics simulations. Despite their impressive performance, the quadratic complexity of standard Transformers in both memory and time with respect to the input length makes them impractical for processing high-resolution inputs. Therefore, several variants have been proposed, the most successful relying on patchification, downsampling, or coarsening techniques, often at the cost of losing the finest-scale details. In this work, we take a different approach. Inspired by state-of-the-art techniques in n-body numerical simulations, we cast attention as an interaction problem between grid points. We introduce the Multipole Attention Neural Operator (MANO), which computes attention in a distance-based multiscale fashion. MANO maintains, in each attention head, a global receptive field and achieves linear time and memory complexity with respect to the number of grid points. Empirical results on image classification and Darcy flows demonstrate that MANO rivals state-of-the-art models such as ViT and Swin Transformer, while reducing runtime and peak memory usage by orders of magnitude. We open source our code for reproducibility at https://github.com/AlexColagrande/MANO.

Recent advances in Neural Architecture Search (NAS) which extract specialized hardware-aware configurations (a.k.a. "sub-networks") from a hardware-agnostic "super-network" have become increasingly popular. While considerable effort has been employed towards improving the first stage, namely, the training of the super-network, the search for derivative high-performing sub-networks is still largely under-explored. For example, some recent network morphism techniques allow a super-network to be trained once and then have hardware-specific networks extracted from it as needed. These methods decouple the super-network training from the sub-network search and thus decrease the computational burden of specializing to different hardware platforms. We propose a comprehensive system that automatically and efficiently finds sub-networks from a pre-trained super-network that are optimized to different performance metrics and hardware configurations. By combining novel search tactics and algorithms with intelligent use of predictors, we significantly decrease the time needed to find optimal sub-networks from a given super-network. Further, our approach does not require the super-network to be refined for the target task a priori, thus allowing it to interface with any super-network. We demonstrate through extensive experiments that our system works seamlessly with existing state-of-the-art super-network training methods in multiple domains. Moreover, we show how novel search tactics paired with evolutionary algorithms can accelerate the search process for ResNet50, MobileNetV3 and Transformer while maintaining objective space Pareto front diversity and demonstrate an 8x faster search result than the state-of-the-art Bayesian optimization WeakNAS approach.

Activation patching is a standard method in mechanistic interpretability for localizing the components of a model responsible for specific behaviors, but it is computationally expensive to apply at scale. Attribution patching offers a faster, gradient-based approximation, yet suffers from noise and reduced reliability in deep, highly non-linear networks. In this work, we introduce Relevance Patching (RelP), which replaces the local gradients in attribution patching with propagation coefficients derived from Layer-wise Relevance Propagation (LRP). LRP propagates the network's output backward through the layers, redistributing relevance to lower-level components according to local propagation rules that ensure properties such as relevance conservation or improved signal-to-noise ratio. Like attribution patching, RelP requires only two forward passes and one backward pass, maintaining computational efficiency while improving faithfulness. We validate RelP across a range of models and tasks, showing that it more accurately approximates activation patching than standard attribution patching, particularly when analyzing residual stream and MLP outputs in the Indirect Object Identification (IOI) task. For instance, for MLP outputs in GPT-2 Large, attribution patching achieves a Pearson correlation of 0.006, whereas RelP reaches 0.956, highlighting the improvement offered by RelP. Additionally, we compare the faithfulness of sparse feature circuits identified by RelP and Integrated Gradients (IG), showing that RelP achieves comparable faithfulness without the extra computational cost associated with IG.

The Multi-Prize Lottery Ticket Hypothesis posits that randomly initialized neural networks contain several subnetworks that achieve comparable accuracy to fully trained models of the same architecture. However, current methods require that the network is sufficiently overparameterized. In this work, we propose a modification to two state-of-the-art algorithms (Edge-Popup and Biprop) that finds high-accuracy subnetworks with no additional storage cost or scaling. The algorithm, Iterative Weight Recycling, identifies subsets of important weights within a randomly initialized network for intra-layer reuse. Empirically we show improvements on smaller network architectures and higher prune rates, finding that model sparsity can be increased through the "recycling" of existing weights. In addition to Iterative Weight Recycling, we complement the Multi-Prize Lottery Ticket Hypothesis with a reciprocal finding: high-accuracy, randomly initialized subnetwork's produce diverse masks, despite being generated with the same hyperparameter's and pruning strategy. We explore the landscapes of these masks, which show high variability.

MeanFlow (MF) has recently been established as a framework for one-step generative modeling. However, its ``fastforward'' nature introduces key challenges in both the training objective and the guidance mechanism. First, the original MF's training target depends not only on the underlying ground-truth fields but also on the network itself. To address this issue, we recast the objective as a loss on the instantaneous velocity v, re-parameterized by a network that predicts the average velocity u. Our reformulation yields a more standard regression problem and improves the training stability. Second, the original MF fixes the classifier-free guidance scale during training, which sacrifices flexibility. We tackle this issue by formulating guidance as explicit conditioning variables, thereby retaining flexibility at test time. The diverse conditions are processed through in-context conditioning, which reduces model size and benefits performance. Overall, our improved MeanFlow (iMF) method, trained entirely from scratch, achieves 1.72 FID with a single function evaluation (1-NFE) on ImageNet 256times256. iMF substantially outperforms prior methods of this kind and closes the gap with multi-step methods while using no distillation. We hope our work will further advance fastforward generative modeling as a stand-alone paradigm.

Humanoid robots require diverse motor skills to integrate into complex environments, but bridging the kinematic and dynamic embodiment gap from human data remains a major bottleneck. We demonstrate through Hessian analysis that traditional optimization-based retargeting is inherently non-convex and prone to local optima, leading to physical artifacts like joint jumps and self-penetration. To address this, we reformulate the targeting problem as learning data distribution rather than optimizing optimal solutions, where we propose NMR, a Neural Motion Retargeting framework that transforms static geometric mapping into a dynamics-aware learned process. We first propose Clustered-Expert Physics Refinement (CEPR), a hierarchical data pipeline that leverages VAE-based motion clustering to group heterogeneous movements into latent motifs. This strategy significantly reduces the computational overhead of massively parallel reinforcement learning experts, which project and repair noisy human demonstrations onto the robot's feasible motion manifold. The resulting high-fidelity data supervises a non-autoregressive CNN-Transformer architecture that reasons over global temporal context to suppress reconstruction noise and bypass geometric traps. Experiments on the Unitree G1 humanoid across diverse dynamic tasks (e.g., martial arts, dancing) show that NMR eliminates joint jumps and significantly reduces self-collisions compared to state-of-the-art baselines. Furthermore, NMR-generated references accelerate the convergence of downstream whole-body control policies, establishing a scalable path for bridging the human-robot embodiment gap.

Many machine learning methods operate by inverting a neural network at inference time, which has become a popular technique for solving inverse problems in computer vision, robotics, and graphics. However, these methods often involve gradient descent through a highly non-convex loss landscape, causing the optimization process to be unstable and slow. We introduce a method that learns a loss landscape where gradient descent is efficient, bringing massive improvement and acceleration to the inversion process. We demonstrate this advantage on a number of methods for both generative and discriminative tasks, including GAN inversion, adversarial defense, and 3D human pose reconstruction.

The choice of optimizer significantly impacts the training efficiency and computational costs of large language models (LLMs). Recently, the Muon optimizer has demonstrated promising results by orthogonalizing parameter updates, improving optimization geometry through better conditioning. Despite Muon's emergence as a candidate successor to Adam, the potential for jointly leveraging their strengths has not been systematically explored. In this work, we bridge this gap by proposing NorMuon (Neuron-wise Normalized Muon), an optimizer that synergistically combines orthogonalization with neuron-level adaptive learning rates. Our analysis reveals that while Muon effectively reduces condition numbers, the resulting updates exhibit highly non-uniform neuron norms, causing certain neurons to dominate the optimization process. NorMuon addresses this imbalance by maintaining second-order momentum statistics for each neuron and applying row-wise normalization after orthogonalization, ensuring balanced parameter utilization while preserving Muon's conditioning benefits. To enable practical deployment at scale, we develop an efficient distributed implementation under the FSDP2 framework that strategically distributes orthogonalization computations across devices. Experiments across multiple model scales demonstrate that NorMuon consistently outperforms both Adam and Muon, achieving 21.74% better training efficiency than Adam and 11.31% improvement over Muon on 1.1 B pretraining setting, while maintaining a comparable memory footprint to Muon. Our findings suggest that orthogonalization and adaptive learning rates are complementary rather than competing approaches, opening new avenues for optimizer design in large-scale deep learning.

Recent deep-learning-based approaches to single-image reflection removal have shown promising advances, primarily for two reasons: 1) the utilization of recognition-pretrained features as inputs, and 2) the design of dual-stream interaction networks. However, according to the Information Bottleneck principle, high-level semantic clues tend to be compressed or discarded during layer-by-layer propagation. Additionally, interactions in dual-stream networks follow a fixed pattern across different layers, limiting overall performance. To address these limitations, we propose a novel architecture called Reversible Decoupling Network (RDNet), which employs a reversible encoder to secure valuable information while flexibly decoupling transmission- and reflection-relevant features during the forward pass. Furthermore, we customize a transmission-rate-aware prompt generator to dynamically calibrate features, further boosting performance. Extensive experiments demonstrate the superiority of RDNet over existing SOTA methods on five widely-adopted benchmark datasets. Our code will be made publicly available.

We propose a novel deep network structure called "Network In Network" (NIN) to enhance model discriminability for local patches within the receptive field. The conventional convolutional layer uses linear filters followed by a nonlinear activation function to scan the input. Instead, we build micro neural networks with more complex structures to abstract the data within the receptive field. We instantiate the micro neural network with a multilayer perceptron, which is a potent function approximator. The feature maps are obtained by sliding the micro networks over the input in a similar manner as CNN; they are then fed into the next layer. Deep NIN can be implemented by stacking mutiple of the above described structure. With enhanced local modeling via the micro network, we are able to utilize global average pooling over feature maps in the classification layer, which is easier to interpret and less prone to overfitting than traditional fully connected layers. We demonstrated the state-of-the-art classification performances with NIN on CIFAR-10 and CIFAR-100, and reasonable performances on SVHN and MNIST datasets.

We present a novel method for collaborative robots (cobots) to learn manipulation tasks and perform them in a human-like manner. Our method falls under the learn-from-observation (LfO) paradigm, where robots learn to perform tasks by observing human actions, which facilitates quicker integration into industrial settings compared to programming from scratch. We introduce Visual IRL that uses the RGB-D keypoints in each frame of the observed human task performance directly as state features, which are input to inverse reinforcement learning (IRL). The inversely learned reward function, which maps keypoints to reward values, is transferred from the human to the cobot using a novel neuro-symbolic dynamics model, which maps human kinematics to the cobot arm. This model allows similar end-effector positioning while minimizing joint adjustments, aiming to preserve the natural dynamics of human motion in robotic manipulation. In contrast with previous techniques that focus on end-effector placement only, our method maps multiple joint angles of the human arm to the corresponding cobot joints. Moreover, it uses an inverse kinematics model to then minimally adjust the joint angles, for accurate end-effector positioning. We evaluate the performance of this approach on two different realistic manipulation tasks. The first task is produce processing, which involves picking, inspecting, and placing onions based on whether they are blemished. The second task is liquid pouring, where the robot picks up bottles, pours the contents into designated containers, and disposes of the empty bottles. Our results demonstrate advances in human-like robotic manipulation, leading to more human-robot compatibility in manufacturing applications.

We present a general framework for symmetrizing an arbitrary neural-network architecture and making it equivariant with respect to a given group. We build upon the proposals of Kim et al. (2023); Kaba et al. (2023) for symmetrization, and improve them by replacing their conversion of neural features into group representations, with an optimization whose loss intuitively measures the distance between group orbits. This change makes our approach applicable to a broader range of matrix groups, such as the Lorentz group O(1, 3), than these two proposals. We experimentally show our method's competitiveness on the SO(2) image classification task, and also its increased generality on the task with O(1, 3). Our implementation will be made accessible at https://github.com/tiendatnguyen-vision/Orbit-symmetrize.

Graph Neural Networks (GNNs) are popular models for machine learning on graphs that typically follow the message-passing paradigm, whereby the feature of a node is updated recursively upon aggregating information over its neighbors. While exchanging messages over the input graph endows GNNs with a strong inductive bias, it can also make GNNs susceptible to over-squashing, thereby preventing them from capturing long-range interactions in the given graph. To rectify this issue, graph rewiring techniques have been proposed as a means of improving information flow by altering the graph connectivity. In this work, we identify three desiderata for graph-rewiring: (i) reduce over-squashing, (ii) respect the locality of the graph, and (iii) preserve the sparsity of the graph. We highlight fundamental trade-offs that occur between spatial and spectral rewiring techniques; while the former often satisfy (i) and (ii) but not (iii), the latter generally satisfy (i) and (iii) at the expense of (ii). We propose a novel rewiring framework that satisfies all of (i)--(iii) through a locality-aware sequence of rewiring operations. We then discuss a specific instance of such rewiring framework and validate its effectiveness on several real-world benchmarks, showing that it either matches or significantly outperforms existing rewiring approaches.

Inverse reinforcement learning (IRL) is typically formulated as maximizing entropy subject to matching the distribution of expert trajectories. Classical (dual-ascent) IRL guarantees monotonic performance improvement but requires fully solving an RL problem each iteration to compute dual gradients. More recent adversarial methods avoid this cost at the expense of stability and monotonic dual improvement, by directly optimizing the primal problem and using a discriminator to provide rewards. In this work, we bridge the gap between these approaches by enabling monotonic improvement of the reward function and policy without having to fully solve an RL problem at every iteration. Our key theoretical insight is that a trust-region-optimal policy for a reward function update can be globally optimal for a smaller update in the same direction. This smaller update allows us to explicitly optimize the dual objective while only relying on a local search around the current policy. In doing so, our approach avoids the training instabilities of adversarial methods, offers monotonic performance improvement, and learns a reward function in the traditional sense of IRL--one that can be globally optimized to match expert demonstrations. Our proposed algorithm, Trust Region Inverse Reinforcement Learning (TRIRL), outperforms state-of-the-art imitation learning methods across multiple challenging tasks by a factor of 2.4x in terms of aggregate inter-quartile mean, while recovering reward functions that generalize to system dynamics shifts.

Backpropagation, which uses the chain rule, is the de-facto standard algorithm for optimizing neural networks nowadays. Recently, Hinton (2022) proposed the forward-forward algorithm, a promising alternative that optimizes neural nets layer-by-layer, without propagating gradients throughout the network. Although such an approach has several advantages over back-propagation and shows promising results, the fact that each layer is being trained independently limits the optimization process. Specifically, it prevents the network's layers from collaborating to learn complex and rich features. In this work, we study layer collaboration in the forward-forward algorithm. We show that the current version of the forward-forward algorithm is suboptimal when considering information flow in the network, resulting in a lack of collaboration between layers of the network. We propose an improved version that supports layer collaboration to better utilize the network structure, while not requiring any additional assumptions or computations. We empirically demonstrate the efficacy of the proposed version when considering both information flow and objective metrics. Additionally, we provide a theoretical motivation for the proposed method, inspired by functional entropy theory.

Inverse kinematics (IK) is a core operation in animation, robotics, and biomechanics: given Cartesian constraints, recover joint rotations under a known kinematic tree. In many real-time human avatar pipelines, the available signal per frame is a sparse set of tracked 3D joint positions, whereas animation systems require joint orientations to drive skinning. Recovering full orientations from positions is underconstrained, most notably because twist about bone axes is ambiguous, and classical IK solvers typically rely on iterative optimization that can be slow and sensitive to noisy inputs. We introduce IK-GAT, a lightweight graph-attention network that reconstructs full-body joint orientations from 3D joint positions in a single forward pass. The model performs message passing over the skeletal parent-child graph to exploit kinematic structure during rotation inference. To simplify learning, IK-GAT predicts rotations in a bone-aligned world-frame representation anchored to rest-pose bone frames. This parameterization makes the twist axis explicit and is exactly invertible to standard parent-relative local rotations given the kinematic tree and rest pose. The network uses a continuous 6D rotation representation and is trained with a geodesic loss on SO(3) together with an optional forward-kinematics consistency regularizer. IK-GAT produces animation-ready local rotations that can directly drive a rigged avatar or be converted to pose parameters of SMPL-like body models for real-time and online applications. With 374K parameters and over 650 FPS on CPU, IK-GAT outperforms VPoser-based per-frame iterative optimization without warm-start at significantly lower cost, and is robust to initial pose and input noise

Graph representation learning is a fundamental research theme and can be generalized to benefit multiple downstream tasks from the node and link levels to the higher graph level. In practice, it is desirable to develop task-agnostic general graph representation learning methods that are typically trained in an unsupervised manner. Related research reveals that the power of graph representation learning methods depends on whether they can differentiate distinct graph structures as different embeddings and map isomorphic graphs to consistent embeddings (i.e., the isomorphic consistency of graph models). However, for task-agnostic general graph representation learning, existing unsupervised graph models, represented by the variational graph auto-encoders (VGAEs), can only keep the isomorphic consistency within the subgraphs of 1-hop neighborhoods and thus usually manifest inferior performance on the more difficult higher-level tasks. To overcome the limitations of existing unsupervised methods, in this paper, we propose the Isomorphic-Consistent VGAE (IsoC-VGAE) for multi-level task-agnostic graph representation learning. We first devise a decoding scheme to provide a theoretical guarantee of keeping the isomorphic consistency under the settings of unsupervised learning. We then propose the Inverse Graph Neural Network (Inv-GNN) decoder as its intuitive realization, which trains the model via reconstructing the GNN node embeddings with multi-hop neighborhood information, so as to maintain the high-order isomorphic consistency within the VGAE framework. We conduct extensive experiments on the representative graph learning tasks at different levels, including node classification, link prediction and graph classification, and the results verify that our proposed model generally outperforms both the state-of-the-art unsupervised methods and representative supervised methods.

Sparsely activated Mixture-of-Experts (MoE) models are widely adopted to scale up model capacity without increasing the computation budget. However, vanilla TopK routers are trained in a discontinuous, non-differentiable way, limiting their performance and scalability. To address this issue, we propose ReMoE, a fully differentiable MoE architecture that offers a simple yet effective drop-in replacement for the conventional TopK+Softmax routing, utilizing ReLU as the router instead. We further propose methods to regulate the router's sparsity while balancing the load among experts. ReMoE's continuous nature enables efficient dynamic allocation of computation across tokens and layers, while also exhibiting domain specialization. Our experiments demonstrate that ReMoE consistently outperforms vanilla TopK-routed MoE across various model sizes, expert counts, and levels of granularity. Furthermore, ReMoE exhibits superior scalability with respect to the number of experts, surpassing traditional MoE architectures. The implementation based on Megatron-LM is available at https://github.com/thu-ml/ReMoE.

Neural network parameterizations exhibit inherent symmetries that yield multiple equivalent minima within the loss landscape. Scale Graph Metanetworks (ScaleGMNs) explicitly leverage these symmetries by proposing an architecture equivariant to both permutation and parameter scaling transformations. Previous work by Ainsworth et al. (2023) addressed permutation symmetries through a computationally intensive combinatorial assignment problem, demonstrating that leveraging permutation symmetries alone can map networks into a shared loss basin. In this work, we extend their approach by also incorporating scaling symmetries, presenting an autoencoder framework utilizing ScaleGMNs as invariant encoders. Experimental results demonstrate that our method aligns Implicit Neural Representations (INRs) and Convolutional Neural Networks (CNNs) under both permutation and scaling symmetries without explicitly solving the assignment problem. This approach ensures that similar networks naturally converge within the same basin, facilitating model merging, i.e., smooth linear interpolation while avoiding regions of high loss. The code is publicly available on our GitHub repository.

Differentiable architecture search (DARTS) yields highly efficient gradient-based neural architecture search (NAS) by relaxing the discrete operation selection to optimize continuous architecture parameters that maps NAS from the discrete optimization to a continuous problem. DARTS then remaps the relaxed supernet back to the discrete space by one-off post-search pruning to obtain the final architecture (finalnet). Some emerging works argue that this remap is inherently prone to mismatch the network between training and evaluation which leads to performance discrepancy and even model collapse in extreme cases. We propose to close the gap between the relaxed supernet in training and the pruned finalnet in evaluation through utilizing small temperature to sparsify the continuous distribution in the training phase. To this end, we first formulate sparse-noisy softmax to get around gradient saturation. We then propose an exponential temperature schedule to better control the outbound distribution and elaborate an entropy-based adaptive scheme to finally achieve the enhancement. We conduct extensive experiments to verify the efficiency and efficacy of our method.

Flow-based generative models parameterize probability distributions through an invertible transformation and can be trained by maximum likelihood. Invertible residual networks provide a flexible family of transformations where only Lipschitz conditions rather than strict architectural constraints are needed for enforcing invertibility. However, prior work trained invertible residual networks for density estimation by relying on biased log-density estimates whose bias increased with the network's expressiveness. We give a tractable unbiased estimate of the log density using a "Russian roulette" estimator, and reduce the memory required during training by using an alternative infinite series for the gradient. Furthermore, we improve invertible residual blocks by proposing the use of activation functions that avoid derivative saturation and generalizing the Lipschitz condition to induced mixed norms. The resulting approach, called Residual Flows, achieves state-of-the-art performance on density estimation amongst flow-based models, and outperforms networks that use coupling blocks at joint generative and discriminative modeling.

Message passing neural networks (MPNNs) have been shown to suffer from the phenomenon of over-squashing that causes poor performance for tasks relying on long-range interactions. This can be largely attributed to message passing only occurring locally, over a node's immediate neighbours. Rewiring approaches attempting to make graphs 'more connected', and supposedly better suited to long-range tasks, often lose the inductive bias provided by distance on the graph since they make distant nodes communicate instantly at every layer. In this paper we propose a framework, applicable to any MPNN architecture, that performs a layer-dependent rewiring to ensure gradual densification of the graph. We also propose a delay mechanism that permits skip connections between nodes depending on the layer and their mutual distance. We validate our approach on several long-range tasks and show that it outperforms graph Transformers and multi-hop MPNNs.

The rectified linear unit (ReLU) is a highly successful activation function in neural networks as it allows networks to easily obtain sparse representations, which reduces overfitting in overparameterized networks. However, in network pruning, we find that the sparsity introduced by ReLU, which we quantify by a term called dynamic dead neuron rate (DNR), is not beneficial for the pruned network. Interestingly, the more the network is pruned, the smaller the dynamic DNR becomes during optimization. This motivates us to propose a method to explicitly reduce the dynamic DNR for the pruned network, i.e., de-sparsify the network. We refer to our method as Activating-while-Pruning (AP). We note that AP does not function as a stand-alone method, as it does not evaluate the importance of weights. Instead, it works in tandem with existing pruning methods and aims to improve their performance by selective activation of nodes to reduce the dynamic DNR. We conduct extensive experiments using popular networks (e.g., ResNet, VGG) via two classical and three state-of-the-art pruning methods. The experimental results on public datasets (e.g., CIFAR-10/100) suggest that AP works well with existing pruning methods and improves the performance by 3% - 4%. For larger scale datasets (e.g., ImageNet) and state-of-the-art networks (e.g., vision transformer), we observe an improvement of 2% - 3% with AP as opposed to without. Lastly, we conduct an ablation study to examine the effectiveness of the components comprising AP.

Leveraging the models' outputs, specifically the logits, is a common approach to estimating the test accuracy of a pre-trained neural network on out-of-distribution (OOD) samples without requiring access to the corresponding ground truth labels. Despite their ease of implementation and computational efficiency, current logit-based methods are vulnerable to overconfidence issues, leading to prediction bias, especially under the natural shift. In this work, we first study the relationship between logits and generalization performance from the view of low-density separation assumption. Our findings motivate our proposed method MaNo which (1) applies a data-dependent normalization on the logits to reduce prediction bias, and (2) takes the L_p norm of the matrix of normalized logits as the estimation score. Our theoretical analysis highlights the connection between the provided score and the model's uncertainty. We conduct an extensive empirical study on common unsupervised accuracy estimation benchmarks and demonstrate that MaNo achieves state-of-the-art performance across various architectures in the presence of synthetic, natural, or subpopulation shifts.

Despite the great promise of the physics-informed neural networks (PINNs) in solving forward and inverse problems, several technical challenges are present as roadblocks for more complex and realistic applications. First, most existing PINNs are based on point-wise formulation with fully-connected networks to learn continuous functions, which suffer from poor scalability and hard boundary enforcement. Second, the infinite search space over-complicates the non-convex optimization for network training. Third, although the convolutional neural network (CNN)-based discrete learning can significantly improve training efficiency, CNNs struggle to handle irregular geometries with unstructured meshes. To properly address these challenges, we present a novel discrete PINN framework based on graph convolutional network (GCN) and variational structure of PDE to solve forward and inverse partial differential equations (PDEs) in a unified manner. The use of a piecewise polynomial basis can reduce the dimension of search space and facilitate training and convergence. Without the need of tuning penalty parameters in classic PINNs, the proposed method can strictly impose boundary conditions and assimilate sparse data in both forward and inverse settings. The flexibility of GCNs is leveraged for irregular geometries with unstructured meshes. The effectiveness and merit of the proposed method are demonstrated over a variety of forward and inverse computational mechanics problems governed by both linear and nonlinear PDEs.

Hypernetworks, neural networks that predict the parameters of another neural network, are powerful models that have been successfully used in diverse applications from image generation to multi-task learning. Unfortunately, existing hypernetworks are often challenging to train. Training typically converges far more slowly than for non-hypernetwork models, and the rate of convergence can be very sensitive to hyperparameter choices. In this work, we identify a fundamental and previously unidentified problem that contributes to the challenge of training hypernetworks: a magnitude proportionality between the inputs and outputs of the hypernetwork. We demonstrate both analytically and empirically that this can lead to unstable optimization, thereby slowing down convergence, and sometimes even preventing any learning. We present a simple solution to this problem using a revised hypernetwork formulation that we call Magnitude Invariant Parametrizations (MIP). We demonstrate the proposed solution on several hypernetwork tasks, where it consistently stabilizes training and achieves faster convergence. Furthermore, we perform a comprehensive ablation study including choices of activation function, normalization strategies, input dimensionality, and hypernetwork architecture; and find that MIP improves training in all scenarios. We provide easy-to-use code that can turn existing networks into MIP-based hypernetworks.

To obtain excellent deep neural architectures, a series of techniques are carefully designed in EfficientNets. The giant formula for simultaneously enlarging the resolution, depth and width provides us a Rubik's cube for neural networks. So that we can find networks with high efficiency and excellent performance by twisting the three dimensions. This paper aims to explore the twisting rules for obtaining deep neural networks with minimum model sizes and computational costs. Different from the network enlarging, we observe that resolution and depth are more important than width for tiny networks. Therefore, the original method, i.e., the compound scaling in EfficientNet is no longer suitable. To this end, we summarize a tiny formula for downsizing neural architectures through a series of smaller models derived from the EfficientNet-B0 with the FLOPs constraint. Experimental results on the ImageNet benchmark illustrate that our TinyNet performs much better than the smaller version of EfficientNets using the inversed giant formula. For instance, our TinyNet-E achieves a 59.9% Top-1 accuracy with only 24M FLOPs, which is about 1.9% higher than that of the previous best MobileNetV3 with similar computational cost. Code will be available at https://github.com/huawei-noah/ghostnet/tree/master/tinynet_pytorch, and https://gitee.com/mindspore/mindspore/tree/master/model_zoo/research/cv/tinynet.

The growing size of datasets and deep learning models has made faster and memory-efficient training crucial. Reversible transformers have recently been introduced as an exciting new method for extremely memory-efficient training, but they come with an additional computation overhead of activation re-computation in the backpropagation phase. We present PaReprop, a fast Parallelized Reversible Backpropagation algorithm that parallelizes the additional activation re-computation overhead in reversible training with the gradient computation itself in backpropagation phase. We demonstrate the effectiveness of the proposed PaReprop algorithm through extensive benchmarking across model families (ViT, MViT, Swin and RoBERTa), data modalities (Vision & NLP), model sizes (from small to giant), and training batch sizes. Our empirical results show that PaReprop achieves up to 20% higher training throughput than vanilla reversible training, largely mitigating the theoretical overhead of 25% lower throughput from activation recomputation in reversible training. Project page: https://tylerzhu.com/pareprop.

We consider the problem of representation learning for graph data. Convolutional neural networks can naturally operate on images, but have significant challenges in dealing with graph data. Given images are special cases of graphs with nodes lie on 2D lattices, graph embedding tasks have a natural correspondence with image pixel-wise prediction tasks such as segmentation. While encoder-decoder architectures like U-Nets have been successfully applied on many image pixel-wise prediction tasks, similar methods are lacking for graph data. This is due to the fact that pooling and up-sampling operations are not natural on graph data. To address these challenges, we propose novel graph pooling (gPool) and unpooling (gUnpool) operations in this work. The gPool layer adaptively selects some nodes to form a smaller graph based on their scalar projection values on a trainable projection vector. We further propose the gUnpool layer as the inverse operation of the gPool layer. The gUnpool layer restores the graph into its original structure using the position information of nodes selected in the corresponding gPool layer. Based on our proposed gPool and gUnpool layers, we develop an encoder-decoder model on graph, known as the graph U-Nets. Our experimental results on node classification and graph classification tasks demonstrate that our methods achieve consistently better performance than previous models.

Inverse Reinforcement Learning (IRL) seeks to infer reward functions from expert demonstrations. When demonstrations originate from multiple experts with different intentions, the problem is known as Multi-Intention IRL (MI-IRL). Recent deep generative MI-IRL approaches couple behavior clustering and reward learning, but typically require prior knowledge of the number of true behavioral modes K^*. This reliance on expert knowledge limits their adaptability to new behaviors, and only enables analysis related to the learned rewards, and not across the behavior modes used to train them. We propose Contrastive Multi-Intention IRL (CoMI-IRL), a transformer-based unsupervised framework that decouples behavior representation and clustering from downstream reward learning. Our experiments show that CoMI-IRL outperforms existing approaches without a priori knowledge of K^* or labels, while allowing for visual interpretation of behavior relationships and adaptation to unseen behavior without full retraining.

The StyleGAN family succeed in high-fidelity image generation and allow for flexible and plausible editing of generated images by manipulating the semantic-rich latent style space.However, projecting a real image into its latent space encounters an inherent trade-off between inversion quality and editability. Existing encoder-based or optimization-based StyleGAN inversion methods attempt to mitigate the trade-off but see limited performance. To fundamentally resolve this problem, we propose a novel two-phase framework by designating two separate networks to tackle editing and reconstruction respectively, instead of balancing the two. Specifically, in Phase I, a W-space-oriented StyleGAN inversion network is trained and used to perform image inversion and editing, which assures the editability but sacrifices reconstruction quality. In Phase II, a carefully designed rectifying network is utilized to rectify the inversion errors and perform ideal reconstruction. Experimental results show that our approach yields near-perfect reconstructions without sacrificing the editability, thus allowing accurate manipulation of real images. Further, we evaluate the performance of our rectifying network, and see great generalizability towards unseen manipulation types and out-of-domain images.

Inspired by the diversity of biological neurons, quadratic artificial neurons can play an important role in deep learning models. The type of quadratic neurons of our interest replaces the inner-product operation in the conventional neuron with a quadratic function. Despite promising results so far achieved by networks of quadratic neurons, there are important issues not well addressed. Theoretically, the superior expressivity of a quadratic network over either a conventional network or a conventional network via quadratic activation is not fully elucidated, which makes the use of quadratic networks not well grounded. Practically, although a quadratic network can be trained via generic backpropagation, it can be subject to a higher risk of collapse than the conventional counterpart. To address these issues, we first apply the spline theory and a measure from algebraic geometry to give two theorems that demonstrate better model expressivity of a quadratic network than the conventional counterpart with or without quadratic activation. Then, we propose an effective training strategy referred to as ReLinear to stabilize the training process of a quadratic network, thereby unleashing the full potential in its associated machine learning tasks. Comprehensive experiments on popular datasets are performed to support our findings and confirm the performance of quadratic deep learning. We have shared our code in https://github.com/FengleiFan/ReLinear.

The purpose of this paper is to propose a new multi-layer feedforward quaternion neural network model architecture, Reverse Quaternion Neural Network which utilizes the non-commutative nature of quaternion products, and to clarify its learning characteristics. While quaternion neural networks have been used in various fields, there has been no research report on the characteristics of multi-layer feedforward quaternion neural networks where weights are applied in the reverse direction. This paper investigates the learning characteristics of the Reverse Quaternion Neural Network from two perspectives: the learning speed and the generalization on rotation. As a result, it is found that the Reverse Quaternion Neural Network has a learning speed comparable to existing models and can obtain a different rotation representation from the existing models.

In this work, we demonstrate that a simple two-layer neural network with standard activation functions can learn an arbitrary word operation in any finite group, provided sufficient width is available and exhibits grokking while doing so. To explain the mechanism by which this is achieved, we reframe the problem as that of learning a particular 3-tensor, which we show is typically of low rank. A key insight is that low-rank implementations of this tensor can be obtained by decomposing it along triplets of basic self-conjugate representations of the group and leveraging the fusion structure to rule out many components. Focusing on a phenomenologically similar but more tractable surrogate model, we show that the network is able to find such low-rank implementations (or approximations thereof), thereby using limited width to approximate the word-tensor in a generalizable way. In the case of the simple multiplication word, we further elucidate the form of these low-rank implementations, showing that the network effectively implements efficient matrix multiplication in the sense of Strassen. Our work also sheds light on the mechanism by which a network reaches such a solution under gradient descent.

The non-convexity of the artificial neural network (ANN) training landscape brings inherent optimization difficulties. While the traditional back-propagation stochastic gradient descent (SGD) algorithm and its variants are effective in certain cases, they can become stuck at spurious local minima and are sensitive to initializations and hyperparameters. Recent work has shown that the training of an ANN with ReLU activations can be reformulated as a convex program, bringing hope to globally optimizing interpretable ANNs. However, naively solving the convex training formulation has an exponential complexity, and even an approximation heuristic requires cubic time. In this work, we characterize the quality of this approximation and develop two efficient algorithms that train ANNs with global convergence guarantees. The first algorithm is based on the alternating direction method of multiplier (ADMM). It solves both the exact convex formulation and the approximate counterpart. Linear global convergence is achieved, and the initial several iterations often yield a solution with high prediction accuracy. When solving the approximate formulation, the per-iteration time complexity is quadratic. The second algorithm, based on the "sampled convex programs" theory, is simpler to implement. It solves unconstrained convex formulations and converges to an approximately globally optimal classifier. The non-convexity of the ANN training landscape exacerbates when adversarial training is considered. We apply the robust convex optimization theory to convex training and develop convex formulations that train ANNs robust to adversarial inputs. Our analysis explicitly focuses on one-hidden-layer fully connected ANNs, but can extend to more sophisticated architectures.

Deep neural networks with millions of parameters are at the heart of many state of the art machine learning models today. However, recent works have shown that models with much smaller number of parameters can also perform just as well. In this work, we introduce the problem of architecture-learning, i.e; learning the architecture of a neural network along with weights. We introduce a new trainable parameter called tri-state ReLU, which helps in eliminating unnecessary neurons. We also propose a smooth regularizer which encourages the total number of neurons after elimination to be small. The resulting objective is differentiable and simple to optimize. We experimentally validate our method on both small and large networks, and show that it can learn models with a considerably small number of parameters without affecting prediction accuracy.

Graph Transformer (GT) recently has emerged as a new paradigm of graph learning algorithms, outperforming the previously popular Message Passing Neural Network (MPNN) on multiple benchmarks. Previous work (Kim et al., 2022) shows that with proper position embedding, GT can approximate MPNN arbitrarily well, implying that GT is at least as powerful as MPNN. In this paper, we study the inverse connection and show that MPNN with virtual node (VN), a commonly used heuristic with little theoretical understanding, is powerful enough to arbitrarily approximate the self-attention layer of GT. In particular, we first show that if we consider one type of linear transformer, the so-called Performer/Linear Transformer (Choromanski et al., 2020; Katharopoulos et al., 2020), then MPNN + VN with only O(1) depth and O(1) width can approximate a self-attention layer in Performer/Linear Transformer. Next, via a connection between MPNN + VN and DeepSets, we prove the MPNN + VN with O(n^d) width and O(1) depth can approximate the self-attention layer arbitrarily well, where d is the input feature dimension. Lastly, under some assumptions, we provide an explicit construction of MPNN + VN with O(1) width and O(n) depth approximating the self-attention layer in GT arbitrarily well. On the empirical side, we demonstrate that 1) MPNN + VN is a surprisingly strong baseline, outperforming GT on the recently proposed Long Range Graph Benchmark (LRGB) dataset, 2) our MPNN + VN improves over early implementation on a wide range of OGB datasets and 3) MPNN + VN outperforms Linear Transformer and MPNN on the climate modeling task.

Equivariant neural networks have shown improved performance, expressiveness and sample complexity on symmetrical domains. But for some specific symmetries, representations, and choice of coordinates, the most common point-wise activations, such as ReLU, are not equivariant, hence they cannot be employed in the design of equivariant neural networks. The theorem we present in this paper describes all possible combinations of finite-dimensional representations, choice of coordinates and point-wise activations to obtain an exactly equivariant layer, generalizing and strengthening existing characterizations. Notable cases of practical relevance are discussed as corollaries. Indeed, we prove that rotation-equivariant networks can only be invariant, as it happens for any network which is equivariant with respect to connected compact groups. Then, we discuss implications of our findings when applied to important instances of exactly equivariant networks. First, we completely characterize permutation equivariant networks such as Invariant Graph Networks with point-wise nonlinearities and their geometric counterparts, highlighting a plethora of models whose expressive power and performance are still unknown. Second, we show that feature spaces of disentangled steerable convolutional neural networks are trivial representations.

We investigate an experiential learning paradigm for acquiring an internal model of intuitive physics. Our model is evaluated on a real-world robotic manipulation task that requires displacing objects to target locations by poking. The robot gathered over 400 hours of experience by executing more than 100K pokes on different objects. We propose a novel approach based on deep neural networks for modeling the dynamics of robot's interactions directly from images, by jointly estimating forward and inverse models of dynamics. The inverse model objective provides supervision to construct informative visual features, which the forward model can then predict and in turn regularize the feature space for the inverse model. The interplay between these two objectives creates useful, accurate models that can then be used for multi-step decision making. This formulation has the additional benefit that it is possible to learn forward models in an abstract feature space and thus alleviate the need of predicting pixels. Our experiments show that this joint modeling approach outperforms alternative methods.

Generative language models (LMs) offer numerous advantages but may produce inappropriate or harmful outputs due to the harmful knowledge acquired during pre-training. This knowledge often manifests as undesirable correspondences, such as "harmful prompts" leading to "harmful outputs," which our research aims to mitigate through unlearning techniques.However, existing unlearning methods based on gradient ascent can significantly impair the performance of LMs. To address this issue, we propose a novel approach called Weighted Positional N-pair (WPN) Learning, which leverages position-weighted mean pooling within an n-pair contrastive learning framework. WPN is designed to modify the output distribution of LMs by eliminating specific harmful outputs (e.g., replacing toxic responses with neutral ones), thereby transforming the model's behavior from "harmful prompt-harmful output" to "harmful prompt-harmless response".Experiments on OPT and GPT-NEO LMs show that WPN effectively reduces the proportion of harmful responses, achieving a harmless rate of up to 95.8\% while maintaining stable performance on nine common benchmarks (with less than 2\% degradation on average). Moreover, we provide empirical evidence to demonstrate WPN's ability to weaken the harmful correspondences in terms of generalizability and robustness, as evaluated on out-of-distribution test sets and under adversarial attacks.

Machine learning frameworks such as graph neural networks typically rely on a given, fixed graph to exploit relational inductive biases and thus effectively learn from network data. However, when said graphs are (partially) unobserved, noisy, or dynamic, the problem of inferring graph structure from data becomes relevant. In this paper, we postulate a graph convolutional relationship between the observed and latent graphs, and formulate the graph learning task as a network inverse (deconvolution) problem. In lieu of eigendecomposition-based spectral methods or iterative optimization solutions, we unroll and truncate proximal gradient iterations to arrive at a parameterized neural network architecture that we call a Graph Deconvolution Network (GDN). GDNs can learn a distribution of graphs in a supervised fashion, perform link prediction or edge-weight regression tasks by adapting the loss function, and they are inherently inductive. We corroborate GDN's superior graph recovery performance and its generalization to larger graphs using synthetic data in supervised settings. Furthermore, we demonstrate the robustness and representation power of GDNs on real world neuroimaging and social network datasets.

The success of deep learning is due in large part to our ability to solve certain massive non-convex optimization problems with relative ease. Though non-convex optimization is NP-hard, simple algorithms -- often variants of stochastic gradient descent -- exhibit surprising effectiveness in fitting large neural networks in practice. We argue that neural network loss landscapes often contain (nearly) a single basin after accounting for all possible permutation symmetries of hidden units a la Entezari et al. 2021. We introduce three algorithms to permute the units of one model to bring them into alignment with a reference model in order to merge the two models in weight space. This transformation produces a functionally equivalent set of weights that lie in an approximately convex basin near the reference model. Experimentally, we demonstrate the single basin phenomenon across a variety of model architectures and datasets, including the first (to our knowledge) demonstration of zero-barrier linear mode connectivity between independently trained ResNet models on CIFAR-10. Additionally, we identify intriguing phenomena relating model width and training time to mode connectivity. Finally, we discuss shortcomings of the linear mode connectivity hypothesis, including a counterexample to the single basin theory.

When reward functions are hand-designed, deep reinforcement learning algorithms often suffer from reward misspecification, causing them to learn suboptimal policies in terms of the intended task objectives. In the single-agent case, inverse reinforcement learning (IRL) techniques attempt to address this issue by inferring the reward function from expert demonstrations. However, in multi-agent problems, misalignment between the learned and true objectives is exacerbated due to increased environment non-stationarity and variance that scales with multiple agents. As such, in multi-agent general-sum games, multi-agent IRL algorithms have difficulty balancing cooperative and competitive objectives. To address these issues, we propose Multi-Agent Marginal Q-Learning from Demonstrations (MAMQL), a novel sample-efficient framework for multi-agent IRL. For each agent, MAMQL learns a critic marginalized over the other agents' policies, allowing for a well-motivated use of Boltzmann policies in the multi-agent context. We identify a connection between optimal marginalized critics and single-agent soft-Q IRL, allowing us to apply a direct, simple optimization criterion from the single-agent domain. Across our experiments on three different simulated domains, MAMQL significantly outperforms previous multi-agent methods in average reward, sample efficiency, and reward recovery by often more than 2-5x. We make our code available at https://sites.google.com/view/mamql .

We analyze the layerwise effective dimension (rank of the feature matrix) in fully-connected ReLU networks of finite width. Specifically, for a fixed batch of m inputs and random Gaussian weights, we derive closed-form expressions for the expected rank of the \mtimes n hidden activation matrices. Our main result shows that E[EDim(ell)]=m[1-(1-2/pi)^ell]+O(e^{-c m}) so that the rank deficit decays geometrically with ratio 1-2 / pi approx 0.3634. We also prove a sub-Gaussian concentration bound, and identify the "revival" depths at which the expected rank attains local maxima. In particular, these peaks occur at depths ell_k^*approx(k+1/2)pi/log(1/rho) with height approx (1-e^{-pi/2}) m approx 0.79m. We further show that this oscillatory rank behavior is a finite-width phenomenon: under orthogonal weight initialization or strong negative-slope leaky-ReLU, the rank remains (nearly) full. These results provide a precise characterization of how random ReLU layers alternately collapse and partially revive the subspace of input variations, adding nuance to prior work on expressivity of deep networks.

Deep neural networks are vulnerable to adversarial attacks. The literature is rich with algorithms that can easily craft successful adversarial examples. In contrast, the performance of defense techniques still lags behind. This paper proposes ME-Net, a defense method that leverages matrix estimation (ME). In ME-Net, images are preprocessed using two steps: first pixels are randomly dropped from the image; then, the image is reconstructed using ME. We show that this process destroys the adversarial structure of the noise, while re-enforcing the global structure in the original image. Since humans typically rely on such global structures in classifying images, the process makes the network mode compatible with human perception. We conduct comprehensive experiments on prevailing benchmarks such as MNIST, CIFAR-10, SVHN, and Tiny-ImageNet. Comparing ME-Net with state-of-the-art defense mechanisms shows that ME-Net consistently outperforms prior techniques, improving robustness against both black-box and white-box attacks.

In the artificial neuron, I replace the dot product with the weighted Lehmer mean, which may emulate different cases of a generalized mean. The single neuron instance is replaced by a multiplet of neurons which have the same averaging weights. A group of outputs feed forward, in lieu of the single scalar. The generalization parameter is typically set to a different value for each neuron in the multiplet. I further extend the concept to a multiplet taken from the Gini mean. Derivatives with respect to the weight parameters and with respect to the two generalization parameters are given. Some properties of the network are investigated, showing the capacity to emulate the classical exclusive-or problem organically in two layers and perform some multiplication and division. The network can instantiate truncated power series and variants, which can be used to approximate different functions, provided that parameters are constrained. Moreover, a mean case slope score is derived that can facilitate a learning-rate novelty based on homogeneity of the selected elements. The multiplet neuron equation provides a way to segment regularization timeframes and approaches.

Representation learning methods have revolutionized machine learning on networks by converting discrete network structures into continuous domains. However, dynamic networks that evolve over time pose new challenges. To address this, dynamic representation learning methods have gained attention, offering benefits like reduced learning time and improved accuracy by utilizing temporal information. T-batching is a valuable technique for training dynamic network models that reduces training time while preserving vital conditions for accurate modeling. However, we have identified a limitation in the training loss function used with t-batching. Through mathematical analysis, we propose two alternative loss functions that overcome these issues, resulting in enhanced training performance. We extensively evaluate the proposed loss functions on synthetic and real-world dynamic networks. The results consistently demonstrate superior performance compared to the original loss function. Notably, in a real-world network characterized by diverse user interaction histories, the proposed loss functions achieved more than 26.9% enhancement in Mean Reciprocal Rank (MRR) and more than 11.8% improvement in Recall@10. These findings underscore the efficacy of the proposed loss functions in dynamic network modeling.

Existing techniques for model inversion typically rely on hard-to-tune regularizers, such as total variation or feature regularization, which must be individually calibrated for each network in order to produce adequate images. In this work, we introduce Plug-In Inversion, which relies on a simple set of augmentations and does not require excessive hyper-parameter tuning. Under our proposed augmentation-based scheme, the same set of augmentation hyper-parameters can be used for inverting a wide range of image classification models, regardless of input dimensions or the architecture. We illustrate the practicality of our approach by inverting Vision Transformers (ViTs) and Multi-Layer Perceptrons (MLPs) trained on the ImageNet dataset, tasks which to the best of our knowledge have not been successfully accomplished by any previous works.

We present Recurrent Fitting (ReFit), a neural network architecture for single-image, parametric 3D human reconstruction. ReFit learns a feedback-update loop that mirrors the strategy of solving an inverse problem through optimization. At each iterative step, it reprojects keypoints from the human model to feature maps to query feedback, and uses a recurrent-based updater to adjust the model to fit the image better. Because ReFit encodes strong knowledge of the inverse problem, it is faster to train than previous regression models. At the same time, ReFit improves state-of-the-art performance on standard benchmarks. Moreover, ReFit applies to other optimization settings, such as multi-view fitting and single-view shape fitting. Project website: https://yufu-wang.github.io/refit_humans/

Neural Radiance Fields (NeRFs) have emerged as a groundbreaking paradigm for representing 3D objects and scenes by encoding shape and appearance information into the weights of a neural network. Recent studies have demonstrated that these weights can be used as input for frameworks designed to address deep learning tasks; however, such frameworks require NeRFs to adhere to a specific, predefined architecture. In this paper, we introduce the first framework capable of processing NeRFs with diverse architectures and performing inference on architectures unseen at training time. We achieve this by training a Graph Meta-Network within an unsupervised representation learning framework, and show that a contrastive objective is conducive to obtaining an architecture-agnostic latent space. In experiments conducted across 13 NeRF architectures belonging to three families (MLPs, tri-planes, and, for the first time, hash tables), our approach demonstrates robust performance in classification, retrieval, and language tasks involving multiple architectures, even unseen at training time, while also matching or exceeding the results of existing frameworks limited to single architectures.

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.

Though the state-of-the architectures for semantic segmentation, such as HRNet, demonstrate impressive accuracy, the complexity arising from their salient design choices hinders a range of model acceleration tools, and further they make use of operations that are inefficient on current hardware. This paper demonstrates that a simple encoder-decoder architecture with a ResNet-like backbone and a small multi-scale head, performs on-par or better than complex semantic segmentation architectures such as HRNet, FANet and DDRNets. Naively applying deep backbones designed for Image Classification to the task of Semantic Segmentation leads to sub-par results, owing to a much smaller effective receptive field of these backbones. Implicit among the various design choices put forth in works like HRNet, DDRNet, and FANet are networks with a large effective receptive field. It is natural to ask if a simple encoder-decoder architecture would compare favorably if comprised of backbones that have a larger effective receptive field, though without the use of inefficient operations like dilated convolutions. We show that with minor and inexpensive modifications to ResNets, enlarging the receptive field, very simple and competitive baselines can be created for Semantic Segmentation. We present a family of such simple architectures for desktop as well as mobile targets, which match or exceed the performance of complex models on the Cityscapes dataset. We hope that our work provides simple yet effective baselines for practitioners to develop efficient semantic segmentation models.

We present weight normalization: a reparameterization of the weight vectors in a neural network that decouples the length of those weight vectors from their direction. By reparameterizing the weights in this way we improve the conditioning of the optimization problem and we speed up convergence of stochastic gradient descent. Our reparameterization is inspired by batch normalization but does not introduce any dependencies between the examples in a minibatch. This means that our method can also be applied successfully to recurrent models such as LSTMs and to noise-sensitive applications such as deep reinforcement learning or generative models, for which batch normalization is less well suited. Although our method is much simpler, it still provides much of the speed-up of full batch normalization. In addition, the computational overhead of our method is lower, permitting more optimization steps to be taken in the same amount of time. We demonstrate the usefulness of our method on applications in supervised image recognition, generative modelling, and deep reinforcement learning.

Convolutional neural network training can suffer from diverse issues like exploding or vanishing gradients, scaling-based weight space symmetry and covariant-shift. In order to address these issues, researchers develop weight regularization methods and activation normalization methods. In this work we propose a weight soft-regularization method based on the Oblique manifold. The proposed method uses a loss function which pushes each weight vector to have a norm close to one, i.e. the weight matrix is smoothly steered toward the so-called Oblique manifold. We evaluate our method on the very popular CIFAR-10, CIFAR-100 and ImageNet 2012 datasets using two state-of-the-art architectures, namely the ResNet and wide-ResNet. Our method introduces negligible computational overhead and the results show that it is competitive to the state-of-the-art and in some cases superior to it. Additionally, the results are less sensitive to hyperparameter settings such as batch size and regularization factor.

Message-passing graph neural networks (MPNNs) emerged as powerful tools for processing graph-structured input. However, they operate on a fixed input graph structure, ignoring potential noise and missing information. Furthermore, their local aggregation mechanism can lead to problems such as over-squashing and limited expressive power in capturing relevant graph structures. Existing solutions to these challenges have primarily relied on heuristic methods, often disregarding the underlying data distribution. Hence, devising principled approaches for learning to infer graph structures relevant to the given prediction task remains an open challenge. In this work, leveraging recent progress in exact and differentiable k-subset sampling, we devise probabilistically rewired MPNNs (PR-MPNNs), which learn to add relevant edges while omitting less beneficial ones. For the first time, our theoretical analysis explores how PR-MPNNs enhance expressive power, and we identify precise conditions under which they outperform purely randomized approaches. Empirically, we demonstrate that our approach effectively mitigates issues like over-squashing and under-reaching. In addition, on established real-world datasets, our method exhibits competitive or superior predictive performance compared to traditional MPNN models and recent graph transformer architectures.

We introduce the concept of scalable neural network kernels (SNNKs), the replacements of regular feedforward layers (FFLs), capable of approximating the latter, but with favorable computational properties. SNNKs effectively disentangle the inputs from the parameters of the neural network in the FFL, only to connect them in the final computation via the dot-product kernel. They are also strictly more expressive, as allowing to model complicated relationships beyond the functions of the dot-products of parameter-input vectors. We also introduce the neural network bundling process that applies SNNKs to compactify deep neural network architectures, resulting in additional compression gains. In its extreme version, it leads to the fully bundled network whose optimal parameters can be expressed via explicit formulae for several loss functions (e.g. mean squared error), opening a possibility to bypass backpropagation. As a by-product of our analysis, we introduce the mechanism of the universal random features (or URFs), applied to instantiate several SNNK variants, and interesting on its own in the context of scalable kernel methods. We provide rigorous theoretical analysis of all these concepts as well as an extensive empirical evaluation, ranging from point-wise kernel estimation to Transformers' fine-tuning with novel adapter layers inspired by SNNKs. Our mechanism provides up to 5x reduction in the number of trainable parameters, while maintaining competitive accuracy.

One-Shot Neural Architecture Search (NAS) algorithms often rely on training a hardware agnostic super-network for a domain specific task. Optimal sub-networks are then extracted from the trained super-network for different hardware platforms. However, training super-networks from scratch can be extremely time consuming and compute intensive especially for large models that rely on a two-stage training process of pre-training and fine-tuning. State of the art pre-trained models are available for a wide range of tasks, but their large sizes significantly limits their applicability on various hardware platforms. We propose InstaTune, a method that leverages off-the-shelf pre-trained weights for large models and generates a super-network during the fine-tuning stage. InstaTune has multiple benefits. Firstly, since the process happens during fine-tuning, it minimizes the overall time and compute resources required for NAS. Secondly, the sub-networks extracted are optimized for the target task, unlike prior work that optimizes on the pre-training objective. Finally, InstaTune is easy to "plug and play" in existing frameworks. By using multi-objective evolutionary search algorithms along with lightly trained predictors, we find Pareto-optimal sub-networks that outperform their respective baselines across different performance objectives such as accuracy and MACs. Specifically, we demonstrate that our approach performs well across both unimodal (ViT and BERT) and multi-modal (BEiT-3) transformer based architectures.

The use of target networks is a popular approach for estimating value functions in deep Reinforcement Learning (RL). While effective, the target network remains a compromise solution that preserves stability at the cost of slowly moving targets, thus delaying learning. Conversely, using the online network as a bootstrapped target is intuitively appealing, albeit well-known to lead to unstable learning. In this work, we aim to obtain the best out of both worlds by introducing a novel update rule that computes the target using the MINimum estimate between the Target and Online network, giving rise to our method, MINTO. Through this simple, yet effective modification, we show that MINTO enables faster and stable value function learning, by mitigating the potential overestimation bias of using the online network for bootstrapping. Notably, MINTO can be seamlessly integrated into a wide range of value-based and actor-critic algorithms with a negligible cost. We evaluate MINTO extensively across diverse benchmarks, spanning online and offline RL, as well as discrete and continuous action spaces. Across all benchmarks, MINTO consistently improves performance, demonstrating its broad applicability and effectiveness.

In the training of neural networks, adaptive moment estimation (Adam) typically converges fast but exhibits suboptimal generalization performance. A widely accepted explanation for its defect in generalization is that it often tends to converge to sharp minima. To enhance its ability to find flat minima, we propose its new variant named inverse Adam (InvAdam). The key improvement of InvAdam lies in its parameter update mechanism, which is opposite to that of Adam. Specifically, it computes element-wise multiplication of the first-order and second-order moments, while Adam computes the element-wise division of these two moments. This modification aims to increase the step size of the parameter update when the elements in the second-order moments are large and vice versa, which helps the parameter escape sharp minima and stay at flat ones. However, InvAdam's update mechanism may face challenges in convergence. To address this challenge, we propose dual Adam (DualAdam), which integrates the update mechanisms of both Adam and InvAdam, ensuring convergence while enhancing generalization performance. Additionally, we introduce the diffusion theory to mathematically demonstrate InvAdam's ability to escape sharp minima. Extensive experiments are conducted on image classification tasks and large language model (LLM) fine-tuning. The results validate that DualAdam outperforms Adam and its state-of-the-art variants in terms of generalization performance. The code is publicly available at https://github.com/LongJin-lab/DualAdam.

Multi-layer perceptrons (MLPs) conventionally follow a narrow-wide-narrow design where skip connections operate at the input/output dimensions while processing occurs in expanded hidden spaces. We challenge this convention by proposing wide-narrow-wide (Hourglass) MLP blocks where skip connections operate at expanded dimensions while residual computation flows through narrow bottlenecks. This inversion leverages higher-dimensional spaces for incremental refinement while maintaining computational efficiency through parameter-matched designs. Implementing Hourglass MLPs requires an initial projection to lift input signals to expanded dimensions. We propose that this projection can remain fixed at random initialization throughout training, enabling efficient training and inference implementations. We evaluate both architectures on generative tasks over popular image datasets, characterizing performance-parameter Pareto frontiers through systematic architectural search. Results show that Hourglass architectures consistently achieve superior Pareto frontiers compared to conventional designs. As parameter budgets increase, optimal Hourglass configurations favor deeper networks with wider skip connections and narrower bottlenecks-a scaling pattern distinct from conventional MLPs. Our findings suggest reconsidering skip connection placement in modern architectures, with potential applications extending to Transformers and other residual networks.

Deep learning has been successful in automating the design of features in machine learning pipelines. However, the algorithms optimizing neural network parameters remain largely hand-designed and computationally inefficient. We study if we can use deep learning to directly predict these parameters by exploiting the past knowledge of training other networks. We introduce a large-scale dataset of diverse computational graphs of neural architectures - DeepNets-1M - and use it to explore parameter prediction on CIFAR-10 and ImageNet. By leveraging advances in graph neural networks, we propose a hypernetwork that can predict performant parameters in a single forward pass taking a fraction of a second, even on a CPU. The proposed model achieves surprisingly good performance on unseen and diverse networks. For example, it is able to predict all 24 million parameters of a ResNet-50 achieving a 60% accuracy on CIFAR-10. On ImageNet, top-5 accuracy of some of our networks approaches 50%. Our task along with the model and results can potentially lead to a new, more computationally efficient paradigm of training networks. Our model also learns a strong representation of neural architectures enabling their analysis.

Deep residual architectures, such as ResNet and the Transformer, have enabled models of unprecedented depth, yet a formal understanding of why depth is so effective remains an open question. A popular intuition, following Veit et al. (2016), is that these residual networks behave like ensembles of many shallower models. Our key finding is an explicit analytical formula that verifies this ensemble perspective, proving that increasing network depth is mathematically equivalent to expanding the size of this implicit ensemble. Furthermore, our expansion reveals a hierarchical ensemble structure in which the combinatorial growth of computation paths leads to an explosion in the output signal, explaining the historical necessity of normalization layers in training deep models. This insight offers a first principles explanation for the historical dependence on normalization layers and sheds new light on a family of successful normalization-free techniques like SkipInit and Fixup. However, while these previous approaches infer scaling factors through optimizer analysis or a heuristic analogy to Batch Normalization, our work offers the first explanation derived directly from the network's inherent functional structure. Specifically, our Residual Expansion Theorem reveals that scaling each residual module provides a principled solution to taming the combinatorial explosion inherent to these architectures. We further show that this scaling acts as a capacity controls that also implicitly regularizes the model's complexity.

The inverse problem of multilayer thin-film optical coatings design represents a complex combinatorial-continuous optimization challenge. We present PRISM (Position-encoded Regressive Inverse Spectral Model), a unified decoder-only autoregressive transformer that streamlines this process by jointly predicting discrete material selection and continuous thickness regression within a single backbone. PRISM introduces two primary architectural innovations: (1) spectrum prefix conditioning, which utilizes standard prefix tokens for in-context target injection, and (2) cumulative-depth Rotary Position Embeddings, which encode continuous thickness directly into the positional representation to preserve the physical spatial relationships of the stack. Our benchmarks demonstrate that a PRISM-13M model reduces MAE by over 50\% compared to other transformer baselines while utilizing only one-fifth of the parameters. Furthermore, a 44M-parameter variant achieves state-of-the-art performance (MAE = 0.010) on our in-distribution validation benchmark and operates significantly faster than simulated annealing, offering a highly efficient alternative to classical optimization methods.

Over the past years, Printed Mathematical Expression Recognition (PMER) has progressed rapidly. However, due to the insufficient context information captured by Convolutional Neural Networks, some mathematical symbols might be incorrectly recognized or missed. To tackle this problem, in this paper, a Dual Branch transformer-based Network (DBN) is proposed to learn both local and global context information for accurate PMER. In our DBN, local and global features are extracted simultaneously, and a Context Coupling Module (CCM) is developed to complement the features between the global and local contexts. CCM adopts an interactive manner so that the coupled context clues are highly correlated to each expression symbol. Additionally, we design a Dynamic Soft Target (DST) strategy to utilize the similarities among symbol categories for reasonable label generation. Our experimental results have demonstrated that DBN can accurately recognize mathematical expressions and has achieved state-of-the-art performance.

A dominant paradigm for teaching humanoid robots complex skills is to retarget human motions as kinematic references to train reinforcement learning (RL) policies. However, existing retargeting pipelines often struggle with the significant embodiment gap between humans and robots, producing physically implausible artifacts like foot-skating and penetration. More importantly, common retargeting methods neglect the rich human-object and human-environment interactions essential for expressive locomotion and loco-manipulation. To address this, we introduce OmniRetarget, an interaction-preserving data generation engine based on an interaction mesh that explicitly models and preserves the crucial spatial and contact relationships between an agent, the terrain, and manipulated objects. By minimizing the Laplacian deformation between the human and robot meshes while enforcing kinematic constraints, OmniRetarget generates kinematically feasible trajectories. Moreover, preserving task-relevant interactions enables efficient data augmentation, from a single demonstration to different robot embodiments, terrains, and object configurations. We comprehensively evaluate OmniRetarget by retargeting motions from OMOMO, LAFAN1, and our in-house MoCap datasets, generating over 8-hour trajectories that achieve better kinematic constraint satisfaction and contact preservation than widely used baselines. Such high-quality data enables proprioceptive RL policies to successfully execute long-horizon (up to 30 seconds) parkour and loco-manipulation skills on a Unitree G1 humanoid, trained with only 5 reward terms and simple domain randomization shared by all tasks, without any learning curriculum.

Normalizing flows are an essential alternative to GANs for generative modelling, which can be optimized directly on the maximum likelihood of the dataset. They also allow computation of the exact latent vector corresponding to an image since they are composed of invertible transformations. However, the requirement of invertibility of the transformation prevents standard and expressive neural network models such as CNNs from being directly used. Emergent convolutions were proposed to construct an invertible 3times3 CNN layer using a pair of masked CNN layers, making them inefficient. We study conditions such that 3times3 CNNs are invertible, allowing them to construct expressive normalizing flows. We derive necessary and sufficient conditions on a padded CNN for it to be invertible. Our conditions for invertibility are simple, can easily be maintained during the training process. Since we require only a single CNN layer for every effective invertible CNN layer, our approach is more efficient than emerging convolutions. We also proposed a coupling method, Quad-coupling. We benchmark our approach and show similar performance results to emergent convolutions while improving the model's efficiency.

The recent emergence of new algorithms for permuting models into functionally equivalent regions of the solution space has shed some light on the complexity of error surfaces, and some promising properties like mode connectivity. However, finding the right permutation is challenging, and current optimization techniques are not differentiable, which makes it difficult to integrate into a gradient-based optimization, and often leads to sub-optimal solutions. In this paper, we propose a Sinkhorn re-basin network with the ability to obtain the transportation plan that better suits a given objective. Unlike the current state-of-art, our method is differentiable and, therefore, easy to adapt to any task within the deep learning domain. Furthermore, we show the advantage of our re-basin method by proposing a new cost function that allows performing incremental learning by exploiting the linear mode connectivity property. The benefit of our method is compared against similar approaches from the literature, under several conditions for both optimal transport finding and linear mode connectivity. The effectiveness of our continual learning method based on re-basin is also shown for several common benchmark datasets, providing experimental results that are competitive with state-of-art results from the literature.

In this report, we present a fast and accurate object detection method dubbed DAMO-YOLO, which achieves higher performance than the state-of-the-art YOLO series. DAMO-YOLO is extended from YOLO with some new technologies, including Neural Architecture Search (NAS), efficient Reparameterized Generalized-FPN (RepGFPN), a lightweight head with AlignedOTA label assignment, and distillation enhancement. In particular, we use MAE-NAS, a method guided by the principle of maximum entropy, to search our detection backbone under the constraints of low latency and high performance, producing ResNet-like / CSP-like structures with spatial pyramid pooling and focus modules. In the design of necks and heads, we follow the rule of "large neck, small head". We import Generalized-FPN with accelerated queen-fusion to build the detector neck and upgrade its CSPNet with efficient layer aggregation networks (ELAN) and reparameterization. Then we investigate how detector head size affects detection performance and find that a heavy neck with only one task projection layer would yield better results. In addition, AlignedOTA is proposed to solve the misalignment problem in label assignment. And a distillation schema is introduced to improve performance to a higher level. Based on these new techs, we build a suite of models at various scales to meet the needs of different scenarios, i.e., DAMO-YOLO-Tiny/Small/Medium. They can achieve 43.0/46.8/50.0 mAPs on COCO with the latency of 2.78/3.83/5.62 ms on T4 GPUs respectively. The code is available at https://github.com/tinyvision/damo-yolo.

The utility of a learned neural representation depends on how well its geometry supports performance in downstream tasks. This geometry depends on the structure of the inputs, the structure of the target outputs, and the architecture of the network. By studying the learning dynamics of networks with one hidden layer, we discovered that the network's activation function has an unexpectedly strong impact on the representational geometry: Tanh networks tend to learn representations that reflect the structure of the target outputs, while ReLU networks retain more information about the structure of the raw inputs. This difference is consistently observed across a broad class of parameterized tasks in which we modulated the degree of alignment between the geometry of the task inputs and that of the task labels. We analyzed the learning dynamics in weight space and show how the differences between the networks with Tanh and ReLU nonlinearities arise from the asymmetric asymptotic behavior of ReLU, which leads feature neurons to specialize for different regions of input space. By contrast, feature neurons in Tanh networks tend to inherit the task label structure. Consequently, when the target outputs are low dimensional, Tanh networks generate neural representations that are more disentangled than those obtained with a ReLU nonlinearity. Our findings shed light on the interplay between input-output geometry, nonlinearity, and learned representations in neural networks.

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.

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.

Convex relaxations are a key component of training and certifying provably safe neural networks. However, despite substantial progress, a wide and poorly understood accuracy gap to standard networks remains, raising the question of whether this is due to fundamental limitations of convex relaxations. Initial work investigating this question focused on the simple and widely used IBP relaxation. It revealed that some univariate, convex, continuous piecewise linear (CPWL) functions cannot be encoded by any ReLU network such that its IBP-analysis is precise. To explore whether this limitation is shared by more advanced convex relaxations, we conduct the first in-depth study on the expressive power of ReLU networks across all commonly used convex relaxations. We show that: (i) more advanced relaxations allow a larger class of univariate functions to be expressed as precisely analyzable ReLU networks, (ii) more precise relaxations can allow exponentially larger solution spaces of ReLU networks encoding the same functions, and (iii) even using the most precise single-neuron relaxations, it is impossible to construct precisely analyzable ReLU networks that express multivariate, convex, monotone CPWL functions.

Solving parametric partial differential equations (PDEs) and associated PDE-based, inverse problems is a central task in engineering and physics, yet existing neural operator methods struggle with high-dimensional, discontinuous inputs and require large amounts of {\em labeled} training data. We propose the Deep Generative Neural Operator (DGNO), a physics-aware framework that addresses these challenges by leveraging a deep, generative, probabilistic model in combination with a set of lower-dimensional, latent variables that simultaneously encode PDE-inputs and PDE-outputs. This formulation can make use of unlabeled data and significantly improves inverse problem-solving, particularly for discontinuous or discrete-valued input functions. DGNO enforces physics constraints without labeled data by incorporating as virtual observables, weak-form residuals based on compactly supported radial basis functions (CSRBFs). These relax regularity constraints and eliminate higher-order derivatives from the objective function. We also introduce MultiONet, a novel neural operator architecture, which is a more expressive generalization of the popular DeepONet that significantly enhances the approximating power of the proposed model. These innovations make DGNO particularly effective for challenging forward and inverse, PDE-based problems, such as those involving multi-phase media. Numerical experiments demonstrate that DGNO achieves higher accuracy across multiple benchmarks while exhibiting robustness to noise and strong generalization to out-of-distribution cases. Its adaptability, and the ability to handle sparse, noisy data while providing probabilistic estimates, make DGNO a powerful tool for scientific and engineering applications.

Feature pyramid networks (FPN) are widely exploited for multi-scale feature fusion in existing advanced object detection frameworks. Numerous previous works have developed various structures for bidirectional feature fusion, all of which are shown to improve the detection performance effectively. We observe that these complicated network structures require feature pyramids to be stacked in a fixed order, which introduces longer pipelines and reduces the inference speed. Moreover, semantics from non-adjacent levels are diluted in the feature pyramid since only features at adjacent pyramid levels are merged by the local fusion operation in a sequence manner. To address these issues, we propose a novel architecture named RCNet, which consists of Reverse Feature Pyramid (RevFP) and Cross-scale Shift Network (CSN). RevFP utilizes local bidirectional feature fusion to simplify the bidirectional pyramid inference pipeline. CSN directly propagates representations to both adjacent and non-adjacent levels to enable multi-scale features more correlative. Extensive experiments on the MS COCO dataset demonstrate RCNet can consistently bring significant improvements over both one-stage and two-stage detectors with subtle extra computational overhead. In particular, RetinaNet is boosted to 40.2 AP, which is 3.7 points higher than baseline, by replacing FPN with our proposed model. On COCO test-dev, RCNet can achieve very competitive performance with a single-model single-scale 50.5 AP. Codes will be made available.

By reinterpreting a robust discriminative classifier as Energy-based Model (EBM), we offer a new take on the dynamics of adversarial training (AT). Our analysis of the energy landscape during AT reveals that untargeted attacks generate adversarial images much more in-distribution (lower energy) than the original data from the point of view of the model. Conversely, we observe the opposite for targeted attacks. On the ground of our thorough analysis, we present new theoretical and practical results that show how interpreting AT energy dynamics unlocks a better understanding: (1) AT dynamic is governed by three phases and robust overfitting occurs in the third phase with a drastic divergence between natural and adversarial energies (2) by rewriting the loss of TRadeoff-inspired Adversarial DEfense via Surrogate-loss minimization (TRADES) in terms of energies, we show that TRADES implicitly alleviates overfitting by means of aligning the natural energy with the adversarial one (3) we empirically show that all recent state-of-the-art robust classifiers are smoothing the energy landscape and we reconcile a variety of studies about understanding AT and weighting the loss function under the umbrella of EBMs. Motivated by rigorous evidence, we propose Weighted Energy Adversarial Training (WEAT), a novel sample weighting scheme that yields robust accuracy matching the state-of-the-art on multiple benchmarks such as CIFAR-10 and SVHN and going beyond in CIFAR-100 and Tiny-ImageNet. We further show that robust classifiers vary in the intensity and quality of their generative capabilities, and offer a simple method to push this capability, reaching a remarkable Inception Score (IS) and FID using a robust classifier without training for generative modeling. The code to reproduce our results is available at http://github.com/OmnAI-Lab/Robust-Classifiers-under-the-lens-of-EBM/ .

Layer normalization (LayerNorm) has been successfully applied to various deep neural networks to help stabilize training and boost model convergence because of its capability in handling re-centering and re-scaling of both inputs and weight matrix. However, the computational overhead introduced by LayerNorm makes these improvements expensive and significantly slows the underlying network, e.g. RNN in particular. In this paper, we hypothesize that re-centering invariance in LayerNorm is dispensable and propose root mean square layer normalization, or RMSNorm. RMSNorm regularizes the summed inputs to a neuron in one layer according to root mean square (RMS), giving the model re-scaling invariance property and implicit learning rate adaptation ability. RMSNorm is computationally simpler and thus more efficient than LayerNorm. We also present partial RMSNorm, or pRMSNorm where the RMS is estimated from p% of the summed inputs without breaking the above properties. Extensive experiments on several tasks using diverse network architectures show that RMSNorm achieves comparable performance against LayerNorm but reduces the running time by 7%~64% on different models. Source code is available at https://github.com/bzhangGo/rmsnorm.

For nonconvex optimization in machine learning, this article proves that every local minimum achieves the globally optimal value of the perturbable gradient basis model at any differentiable point. As a result, nonconvex machine learning is theoretically as supported as convex machine learning with a handcrafted basis in terms of the loss at differentiable local minima, except in the case when a preference is given to the handcrafted basis over the perturbable gradient basis. The proofs of these results are derived under mild assumptions. Accordingly, the proven results are directly applicable to many machine learning models, including practical deep neural networks, without any modification of practical methods. Furthermore, as special cases of our general results, this article improves or complements several state-of-the-art theoretical results on deep neural networks, deep residual networks, and overparameterized deep neural networks with a unified proof technique and novel geometric insights. A special case of our results also contributes to the theoretical foundation of representation learning.

Inverse Reinforcement Learning (IRL) is a powerful set of techniques for imitation learning that aims to learn a reward function that rationalizes expert demonstrations. Unfortunately, traditional IRL methods suffer from a computational weakness: they require repeatedly solving a hard reinforcement learning (RL) problem as a subroutine. This is counter-intuitive from the viewpoint of reductions: we have reduced the easier problem of imitation learning to repeatedly solving the harder problem of RL. Another thread of work has proved that access to the side-information of the distribution of states where a strong policy spends time can dramatically reduce the sample and computational complexities of solving an RL problem. In this work, we demonstrate for the first time a more informed imitation learning reduction where we utilize the state distribution of the expert to alleviate the global exploration component of the RL subroutine, providing an exponential speedup in theory. In practice, we find that we are able to significantly speed up the prior art on continuous control tasks.

Neural networks have enabled state-of-the-art approaches to achieve incredible results on computer vision tasks such as object detection. However, such success greatly relies on costly computation resources, which hinders people with cheap devices from appreciating the advanced technology. In this paper, we propose Cross Stage Partial Network (CSPNet) to mitigate the problem that previous works require heavy inference computations from the network architecture perspective. We attribute the problem to the duplicate gradient information within network optimization. The proposed networks respect the variability of the gradients by integrating feature maps from the beginning and the end of a network stage, which, in our experiments, reduces computations by 20% with equivalent or even superior accuracy on the ImageNet dataset, and significantly outperforms state-of-the-art approaches in terms of AP50 on the MS COCO object detection dataset. The CSPNet is easy to implement and general enough to cope with architectures based on ResNet, ResNeXt, and DenseNet. Source code is at https://github.com/WongKinYiu/CrossStagePartialNetworks.

Graph neural networks (GNNs) have achieved remarkable success across a wide range of applications, such as recommendation, drug discovery, and question answering. Behind the success of GNNs lies the backpropagation (BP) algorithm, which is the de facto standard for training deep neural networks (NNs). However, despite its effectiveness, BP imposes several constraints, which are not only biologically implausible, but also limit the scalability, parallelism, and flexibility in learning NNs. Examples of such constraints include storage of neural activities computed in the forward pass for use in the subsequent backward pass, and the dependence of parameter updates on non-local signals. To address these limitations, the forward-forward algorithm (FF) was recently proposed as an alternative to BP in the image classification domain, which trains NNs by performing two forward passes over positive and negative data. Inspired by this advance, we propose ForwardGNN in this work, a new forward learning procedure for GNNs, which avoids the constraints imposed by BP via an effective layer-wise local forward training. ForwardGNN extends the original FF to deal with graph data and GNNs, and makes it possible to operate without generating negative inputs (hence no longer forward-forward). Further, ForwardGNN enables each layer to learn from both the bottom-up and top-down signals without relying on the backpropagation of errors. Extensive experiments on real-world datasets show the effectiveness and generality of the proposed forward graph learning framework. We release our code at https://github.com/facebookresearch/forwardgnn.

The ability of the Generative Adversarial Networks (GANs) framework to learn generative models mapping from simple latent distributions to arbitrarily complex data distributions has been demonstrated empirically, with compelling results showing that the latent space of such generators captures semantic variation in the data distribution. Intuitively, models trained to predict these semantic latent representations given data may serve as useful feature representations for auxiliary problems where semantics are relevant. However, in their existing form, GANs have no means of learning the inverse mapping -- projecting data back into the latent space. We propose Bidirectional Generative Adversarial Networks (BiGANs) as a means of learning this inverse mapping, and demonstrate that the resulting learned feature representation is useful for auxiliary supervised discrimination tasks, competitive with contemporary approaches to unsupervised and self-supervised feature learning.

Collecting high-quality preference datasets for reinforcement learning from human feedback (RLHF) is resource-intensive and challenging. As a result, researchers often train reward models on extensive offline datasets which aggregate diverse generation sources and scoring/alignment policies. We hypothesize that this aggregation has an averaging effect on reward model scores, which limits signal and impairs the alignment process. Inspired by the field of inverse RL, we define the 'inverse alignment problem' in language model training, where our objective is to optimize the critic's reward for a fixed actor and a fixed offline preference dataset. We hypothesize that solving the inverse alignment problem will improve reward model quality by providing clearer feedback on the policy's current behavior. To that end, we investigate whether repeatedly fine-tuning a reward model on subsets of the offline preference dataset aligned with a periodically frozen policy during RLHF improves upon vanilla RLHF. Our empirical results demonstrate that this approach facilitates superior alignment and faster convergence compared to using an unaligned or out-of-distribution reward model relative to the LLM policy.

Deep multitask networks, in which one neural network produces multiple predictive outputs, can offer better speed and performance than their single-task counterparts but are challenging to train properly. We present a gradient normalization (GradNorm) algorithm that automatically balances training in deep multitask models by dynamically tuning gradient magnitudes. We show that for various network architectures, for both regression and classification tasks, and on both synthetic and real datasets, GradNorm improves accuracy and reduces overfitting across multiple tasks when compared to single-task networks, static baselines, and other adaptive multitask loss balancing techniques. GradNorm also matches or surpasses the performance of exhaustive grid search methods, despite only involving a single asymmetry hyperparameter alpha. Thus, what was once a tedious search process that incurred exponentially more compute for each task added can now be accomplished within a few training runs, irrespective of the number of tasks. Ultimately, we will demonstrate that gradient manipulation affords us great control over the training dynamics of multitask networks and may be one of the keys to unlocking the potential of multitask learning.

Target encoding plays a central role when learning Convolutional Neural Networks. In this realm, One-hot encoding is the most prevalent strategy due to its simplicity. However, this so widespread encoding schema assumes a flat label space, thus ignoring rich relationships existing among labels that can be exploited during training. In large-scale datasets, data does not span the full label space, but instead lies in a low-dimensional output manifold. Following this observation, we embed the targets into a low-dimensional space, drastically improving convergence speed while preserving accuracy. Our contribution is two fold: (i) We show that random projections of the label space are a valid tool to find such lower dimensional embeddings, boosting dramatically convergence rates at zero computational cost; and (ii) we propose a normalized eigenrepresentation of the class manifold that encodes the targets with minimal information loss, improving the accuracy of random projections encoding while enjoying the same convergence rates. Experiments on CIFAR-100, CUB200-2011, Imagenet, and MIT Places demonstrate that the proposed approach drastically improves convergence speed while reaching very competitive accuracy rates.

Deep Learning has revolutionized vision via convolutional neural networks (CNNs) and natural language processing via recurrent neural networks (RNNs). However, success stories of Deep Learning with standard feed-forward neural networks (FNNs) are rare. FNNs that perform well are typically shallow and, therefore cannot exploit many levels of abstract representations. We introduce self-normalizing neural networks (SNNs) to enable high-level abstract representations. While batch normalization requires explicit normalization, neuron activations of SNNs automatically converge towards zero mean and unit variance. The activation function of SNNs are "scaled exponential linear units" (SELUs), which induce self-normalizing properties. Using the Banach fixed-point theorem, we prove that activations close to zero mean and unit variance that are propagated through many network layers will converge towards zero mean and unit variance -- even under the presence of noise and perturbations. This convergence property of SNNs allows to (1) train deep networks with many layers, (2) employ strong regularization, and (3) to make learning highly robust. Furthermore, for activations not close to unit variance, we prove an upper and lower bound on the variance, thus, vanishing and exploding gradients are impossible. We compared SNNs on (a) 121 tasks from the UCI machine learning repository, on (b) drug discovery benchmarks, and on (c) astronomy tasks with standard FNNs and other machine learning methods such as random forests and support vector machines. SNNs significantly outperformed all competing FNN methods at 121 UCI tasks, outperformed all competing methods at the Tox21 dataset, and set a new record at an astronomy data set. The winning SNN architectures are often very deep. Implementations are available at: github.com/bioinf-jku/SNNs.

Despite extensive studies, the underlying reason as to why overparameterized neural networks can generalize remains elusive. Existing theory shows that common stochastic optimizers prefer flatter minimizers of the training loss, and thus a natural potential explanation is that flatness implies generalization. This work critically examines this explanation. Through theoretical and empirical investigation, we identify the following three scenarios for two-layer ReLU networks: (1) flatness provably implies generalization; (2) there exist non-generalizing flattest models and sharpness minimization algorithms fail to generalize, and (3) perhaps most surprisingly, there exist non-generalizing flattest models, but sharpness minimization algorithms still generalize. Our results suggest that the relationship between sharpness and generalization subtly depends on the data distributions and the model architectures and sharpness minimization algorithms do not only minimize sharpness to achieve better generalization. This calls for the search for other explanations for the generalization of over-parameterized neural networks.

In this work, we provide a characterization of the feature-learning process in two-layer ReLU networks trained by gradient descent on the logistic loss following random initialization. We consider data with binary labels that are generated by an XOR-like function of the input features. We permit a constant fraction of the training labels to be corrupted by an adversary. We show that, although linear classifiers are no better than random guessing for the distribution we consider, two-layer ReLU networks trained by gradient descent achieve generalization error close to the label noise rate. We develop a novel proof technique that shows that at initialization, the vast majority of neurons function as random features that are only weakly correlated with useful features, and the gradient descent dynamics 'amplify' these weak, random features to strong, useful features.

While Large Language Models (LLMs) have demonstrated impressive performance in various domains and tasks, concerns about their safety are becoming increasingly severe. In particular, since models may store unsafe knowledge internally, machine unlearning has emerged as a representative paradigm to ensure model safety. Existing approaches employ various training techniques, such as gradient ascent and negative preference optimization, in attempts to eliminate the influence of undesired data on target models. However, these methods merely suppress the activation of undesired data through parametric training without completely eradicating its informational traces within the model. This fundamental limitation makes it difficult to achieve effective continuous unlearning, rendering these methods vulnerable to relearning attacks. To overcome these challenges, we propose a Metamorphosis Representation Projection (MRP) approach that pioneers the application of irreversible projection properties to machine unlearning. By implementing projective transformations in the hidden state space of specific network layers, our method effectively eliminates harmful information while preserving useful knowledge. Experimental results demonstrate that our approach enables effective continuous unlearning and successfully defends against relearning attacks, achieving state-of-the-art performance in unlearning effectiveness while preserving natural performance. Our code is available in https://github.com/ChengcanWu/MRP.

In this work, we propose Retentive Network (RetNet) as a foundation architecture for large language models, simultaneously achieving training parallelism, low-cost inference, and good performance. We theoretically derive the connection between recurrence and attention. Then we propose the retention mechanism for sequence modeling, which supports three computation paradigms, i.e., parallel, recurrent, and chunkwise recurrent. Specifically, the parallel representation allows for training parallelism. The recurrent representation enables low-cost O(1) inference, which improves decoding throughput, latency, and GPU memory without sacrificing performance. The chunkwise recurrent representation facilitates efficient long-sequence modeling with linear complexity, where each chunk is encoded parallelly while recurrently summarizing the chunks. Experimental results on language modeling show that RetNet achieves favorable scaling results, parallel training, low-cost deployment, and efficient inference. The intriguing properties make RetNet a strong successor to Transformer for large language models. Code will be available at https://aka.ms/retnet.