Daily Papers

In this paper, we propose a simple yet universal network termed SeqTR for visual grounding tasks, e.g., phrase localization, referring expression comprehension (REC) and segmentation (RES). The canonical paradigms for visual grounding often require substantial expertise in designing network architectures and loss functions, making them hard to generalize across tasks. To simplify and unify the modeling, we cast visual grounding as a point prediction problem conditioned on image and text inputs, where either the bounding box or binary mask is represented as a sequence of discrete coordinate tokens. Under this paradigm, visual grounding tasks are unified in our SeqTR network without task-specific branches or heads, e.g., the convolutional mask decoder for RES, which greatly reduces the complexity of multi-task modeling. In addition, SeqTR also shares the same optimization objective for all tasks with a simple cross-entropy loss, further reducing the complexity of deploying hand-crafted loss functions. Experiments on five benchmark datasets demonstrate that the proposed SeqTR outperforms (or is on par with) the existing state-of-the-arts, proving that a simple yet universal approach for visual grounding is indeed feasible. Source code is available at https://github.com/sean-zhuh/SeqTR.

This paper presents the UniMER dataset to provide the first study on Mathematical Expression Recognition (MER) towards complex real-world scenarios. The UniMER dataset consists of a large-scale training set UniMER-1M offering an unprecedented scale and diversity with one million training instances and a meticulously designed test set UniMER-Test that reflects a diverse range of formula distributions prevalent in real-world scenarios. Therefore, the UniMER dataset enables the training of a robust and high-accuracy MER model and comprehensive evaluation of model performance. Moreover, we introduce the Universal Mathematical Expression Recognition Network (UniMERNet), an innovative framework designed to enhance MER in practical scenarios. UniMERNet incorporates a Length-Aware Module to process formulas of varied lengths efficiently, thereby enabling the model to handle complex mathematical expressions with greater accuracy. In addition, UniMERNet employs our UniMER-1M data and image augmentation techniques to improve the model's robustness under different noise conditions. Our extensive experiments demonstrate that UniMERNet outperforms existing MER models, setting a new benchmark in various scenarios and ensuring superior recognition quality in real-world applications. The dataset and model are available at https://github.com/opendatalab/UniMERNet.

Graph representation learning has emerged as a powerful technique for addressing real-world problems. Various downstream graph learning tasks have benefited from its recent developments, such as node classification, similarity search, and graph classification. However, prior arts on graph representation learning focus on domain specific problems and train a dedicated model for each graph dataset, which is usually non-transferable to out-of-domain data. Inspired by the recent advances in pre-training from natural language processing and computer vision, we design Graph Contrastive Coding (GCC) -- a self-supervised graph neural network pre-training framework -- to capture the universal network topological properties across multiple networks. We design GCC's pre-training task as subgraph instance discrimination in and across networks and leverage contrastive learning to empower graph neural networks to learn the intrinsic and transferable structural representations. We conduct extensive experiments on three graph learning tasks and ten graph datasets. The results show that GCC pre-trained on a collection of diverse datasets can achieve competitive or better performance to its task-specific and trained-from-scratch counterparts. This suggests that the pre-training and fine-tuning paradigm presents great potential for graph representation learning.

Existing approaches for improving the efficiency of Large Vision-Language Models (LVLMs) are largely based on the concept of visual token reduction. This approach, however, creates an information bottleneck that impairs performance, especially on challenging tasks that require fine-grained understanding and reasoning. In this work, we challenge this paradigm by introducing VISion On Request (VISOR), a method that reduces inference cost without discarding visual information. Instead of compressing the image, VISOR improves efficiency by sparsifying the interaction between image and text tokens. Specifically, the language model attends to the full set of high-resolution visual tokens through a small, strategically placed set of attention layers: general visual context is provided by efficient cross-attention between text-image, while a few well-placed and dynamically selected self-attention layers refine the visual representations themselves, enabling complex, high-resolution reasoning when needed. Based on this principle, we first train a single universal network on a range of computational budgets by varying the number of self-attention layers, and then introduce a lightweight policy mechanism that dynamically allocates visual computation based on per-sample complexity. Extensive experiments show that VISOR drastically reduces computational cost while matching or exceeding state-of-the-art results across a diverse suite of benchmarks, and excels in challenging tasks that require detailed visual understanding.

Multi-objective reinforcement learning (MORL) approaches have emerged to tackle many real-world problems with multiple conflicting objectives by maximizing a joint objective function weighted by a preference vector. These approaches find fixed customized policies corresponding to preference vectors specified during training. However, the design constraints and objectives typically change dynamically in real-life scenarios. Furthermore, storing a policy for each potential preference is not scalable. Hence, obtaining a set of Pareto front solutions for the entire preference space in a given domain with a single training is critical. To this end, we propose a novel MORL algorithm that trains a single universal network to cover the entire preference space scalable to continuous robotic tasks. The proposed approach, Preference-Driven MORL (PD-MORL), utilizes the preferences as guidance to update the network parameters. It also employs a novel parallelization approach to increase sample efficiency. We show that PD-MORL achieves up to 25% larger hypervolume for challenging continuous control tasks and uses an order of magnitude fewer trainable parameters compared to prior approaches.

Image denoising is a well studied problem with an extensive activity that has spread over several decades. Despite the many available denoising algorithms, the quest for simple, powerful and fast denoisers is still an active and vibrant topic of research. Leading classical denoising methods are typically designed to exploit the inner structure in images by modeling local overlapping patches, while operating in an unsupervised fashion. In contrast, recent newcomers to this arena are supervised and universal neural-network-based methods that bypass this modeling altogether, targeting the inference goal directly and globally, while tending to be very deep and parameter heavy. This work proposes a novel lightweight learnable architecture for image denoising, and presents a combination of supervised and unsupervised training of it, the first aiming for a universal denoiser and the second for adapting it to the incoming image. Our architecture embeds in it several of the main concepts taken from classical methods, relying on patch processing, leveraging non-local self-similarity, exploiting representation sparsity and providing a multiscale treatment. Our proposed universal denoiser achieves near state-of-the-art results, while using a small fraction of the typical number of parameters. In addition, we introduce and demonstrate two highly effective ways for further boosting the denoising performance, by adapting this universal network to the input image.

We introduce UniGraspTransformer, a universal Transformer-based network for dexterous robotic grasping that simplifies training while enhancing scalability and performance. Unlike prior methods such as UniDexGrasp++, which require complex, multi-step training pipelines, UniGraspTransformer follows a streamlined process: first, dedicated policy networks are trained for individual objects using reinforcement learning to generate successful grasp trajectories; then, these trajectories are distilled into a single, universal network. Our approach enables UniGraspTransformer to scale effectively, incorporating up to 12 self-attention blocks for handling thousands of objects with diverse poses. Additionally, it generalizes well to both idealized and real-world inputs, evaluated in state-based and vision-based settings. Notably, UniGraspTransformer generates a broader range of grasping poses for objects in various shapes and orientations, resulting in more diverse grasp strategies. Experimental results demonstrate significant improvements over state-of-the-art, UniDexGrasp++, across various object categories, achieving success rate gains of 3.5%, 7.7%, and 10.1% on seen objects, unseen objects within seen categories, and completely unseen objects, respectively, in the vision-based setting. Project page: https://dexhand.github.io/UniGraspTransformer.

The simulation of large-scale systems with complex electron interactions remains one of the greatest challenges for the atomistic modeling of materials. Although classical force fields often fail to describe the coupling between electronic states and ionic rearrangements, the more accurate ab-initio molecular dynamics suffers from computational complexity that prevents long-time and large-scale simulations, which are essential to study many technologically relevant phenomena, such as reactions, ion migrations, phase transformations, and degradation. In this work, we present the Crystal Hamiltonian Graph neural Network (CHGNet) as a novel machine-learning interatomic potential (MLIP), using a graph-neural-network-based force field to model a universal potential energy surface. CHGNet is pretrained on the energies, forces, stresses, and magnetic moments from the Materials Project Trajectory Dataset, which consists of over 10 years of density functional theory static and relaxation trajectories of sim 1.5 million inorganic structures. The explicit inclusion of magnetic moments enables CHGNet to learn and accurately represent the orbital occupancy of electrons, enhancing its capability to describe both atomic and electronic degrees of freedom. We demonstrate several applications of CHGNet in solid-state materials, including charge-informed molecular dynamics in Li_xMnO_2, the finite temperature phase diagram for Li_xFePO_4 and Li diffusion in garnet conductors. We critically analyze the significance of including charge information for capturing appropriate chemistry, and we provide new insights into ionic systems with additional electronic degrees of freedom that can not be observed by previous MLIPs.

Vision-language models encode continuous geometry that their text pathway fails to express: a 6,000-parameter linear probe extracts hand joint angles at 6.1 degrees MAE from frozen features, while the best text output achieves only 20.0 degrees -- a 3.3x bottleneck. LoRA fine-tuning (r=16, 2,000 images) narrows this gap to 6.5 degrees, providing evidence for a pathway-training deficit rather than a representational one. Training objective determines accuracy more than architecture: five encoders spanning self-supervised, contrastive, and hybrid paradigms converge to statistically equivalent accuracy (R^2 approximately 0.55, TOST-equivalent at delta=0.03) despite sharing as little as CKA=0.41 representational similarity -- functional convergence without representational convergence. Autoregressive generation damages geometric fidelity, but the damage originates in the generation process, not in language alignment: Qwen2.5-VL's LLM layers actually improve probe accuracy over its raw vision encoder. Layer-wise analysis reveals a universal mid-network accuracy peak across all architectures, with attention heads in layers 18-22 carrying disproportionate geometric signal. These findings enable a single frozen backbone to function as a multi-task geometric sensor through lightweight probes, without fine-tuning or text generation.

Perception and understanding are two pillars of computer vision. While multimodal large language models (MLLM) have demonstrated remarkable visual understanding capabilities, they arguably lack accurate perception abilities, e.g. the stage-of-the-art model Qwen2-VL only achieves a 43.9 recall rate on the COCO dataset, limiting many tasks requiring the combination of perception and understanding. In this work, we aim to bridge this perception gap from both model designing and data development perspectives. We first introduce ChatRex, an MLLM with a decoupled perception design. Instead of having the LLM directly predict box coordinates, we feed the output boxes from a universal proposal network into the LLM, allowing it to output the corresponding box indices to represent its detection results, turning the regression task into a retrieval-based task that LLM handles more proficiently. From the data perspective, we build a fully automated data engine and construct the Rexverse-2M dataset which possesses multiple granularities to support the joint training of perception and understanding. After standard two-stage training, ChatRex demonstrates strong perception capabilities while preserving multimodal understanding performance. The combination of these two capabilities simultaneously unlocks many attractive applications, demonstrating the complementary roles of both perception and understanding in MLLM. Code is available at https://github.com/IDEA-Research/ChatRex.

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.

Solving complex Partial Differential Equations (PDEs) accurately and efficiently is an essential and challenging problem in all scientific and engineering disciplines. Mesh movement methods provide the capability to improve the accuracy of the numerical solution without increasing the overall mesh degree of freedom count. Conventional sophisticated mesh movement methods are extremely expensive and struggle to handle scenarios with complex boundary geometries. However, existing learning-based methods require re-training from scratch given a different PDE type or boundary geometry, which limits their applicability, and also often suffer from robustness issues in the form of inverted elements. In this paper, we introduce the Universal Mesh Movement Network (UM2N), which -- once trained -- can be applied in a non-intrusive, zero-shot manner to move meshes with different size distributions and structures, for solvers applicable to different PDE types and boundary geometries. UM2N consists of a Graph Transformer (GT) encoder for extracting features and a Graph Attention Network (GAT) based decoder for moving the mesh. We evaluate our method on advection and Navier-Stokes based examples, as well as a real-world tsunami simulation case. Our method outperforms existing learning-based mesh movement methods in terms of the benchmarks described above. In comparison to the conventional sophisticated Monge-Amp\`ere PDE-solver based method, our approach not only significantly accelerates mesh movement, but also proves effective in scenarios where the conventional method fails. Our project page is at https://erizmr.github.io/UM2N/.

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

This paper presents a theoretical framework explaining why fine tuning small, randomly selected subnetworks (slices) within pre trained models can be sufficient for downstream adaptation. We prove that pretrained networks exhibit a universal winning slice property arising from two phenomena: (1) spectral balance the eigenspectra of different weight matrix slices are remarkably similar; and (2) high task energy their backbone representations retain rich, task relevant features. This leads to the Universal Winning Slice Hypothesis, which provides a theoretical foundation for parameter efficient fine tuning (PEFT) in large scale models. Inspired by this, we propose SliceFine, a PEFT method that exploits this inherent redundancy by updating only selected slices of the original weights introducing zero new parameters, unlike adapter-based approaches. Empirically, SliceFine matches the performance of state of the art PEFT methods across language and vision tasks, while significantly improving training speed, memory efficiency, and model compactness. Our work bridges theory and practice, offering a theoretically grounded alternative to existing PEFT techniques.

Identifying potential objects is critical for object recognition and analysis across various computer vision applications. Existing methods typically localize potential objects by relying on exemplar images, predefined categories, or textual descriptions. However, their reliance on image and text prompts often limits flexibility, restricting adaptability in real-world scenarios. In this paper, we introduce a novel Prompt-Free Universal Region Proposal Network (PF-RPN), which identifies potential objects without relying on external prompts. First, the Sparse Image-Aware Adapter (SIA) module performs initial localization of potential objects using a learnable query embedding dynamically updated with visual features. Next, the Cascade Self-Prompt (CSP) module identifies the remaining potential objects by leveraging the self-prompted learnable embedding, autonomously aggregating informative visual features in a cascading manner. Finally, the Centerness-Guided Query Selection (CG-QS) module facilitates the selection of high-quality query embeddings using a centerness scoring network. Our method can be optimized with limited data (e.g., 5% of MS COCO data) and applied directly to various object detection application domains for identifying potential objects without fine-tuning, such as underwater object detection, industrial defect detection, and remote sensing image object detection. Experimental results across 19 datasets validate the effectiveness of our method. Code is available at https://github.com/tangqh03/PF-RPN.

When reading medical images such as a computed tomography (CT) scan, radiologists generally search across the image to find lesions, characterize and measure them, and then describe them in the radiological report. To automate this process, we propose a multitask universal lesion analysis network (MULAN) for joint detection, tagging, and segmentation of lesions in a variety of body parts, which greatly extends existing work of single-task lesion analysis on specific body parts. MULAN is based on an improved Mask R-CNN framework with three head branches and a 3D feature fusion strategy. It achieves the state-of-the-art accuracy in the detection and tagging tasks on the DeepLesion dataset, which contains 32K lesions in the whole body. We also analyze the relationship between the three tasks and show that tag predictions can improve detection accuracy via a score refinement layer.

Invertible neural networks based on coupling flows (CF-INNs) have various machine learning applications such as image synthesis and representation learning. However, their desirable characteristics such as analytic invertibility come at the cost of restricting the functional forms. This poses a question on their representation power: are CF-INNs universal approximators for invertible functions? Without a universality, there could be a well-behaved invertible transformation that the CF-INN can never approximate, hence it would render the model class unreliable. We answer this question by showing a convenient criterion: a CF-INN is universal if its layers contain affine coupling and invertible linear functions as special cases. As its corollary, we can affirmatively resolve a previously unsolved problem: whether normalizing flow models based on affine coupling can be universal distributional approximators. In the course of proving the universality, we prove a general theorem to show the equivalence of the universality for certain diffeomorphism classes, a theoretical insight that is of interest by itself.

In this paper, we present an efficient neural network for end-to-end general purpose audio source separation. Specifically, the backbone structure of this convolutional network is the SUccessive DOwnsampling and Resampling of Multi-Resolution Features (SuDoRMRF) as well as their aggregation which is performed through simple one-dimensional convolutions. In this way, we are able to obtain high quality audio source separation with limited number of floating point operations, memory requirements, number of parameters and latency. Our experiments on both speech and environmental sound separation datasets show that SuDoRMRF performs comparably and even surpasses various state-of-the-art approaches with significantly higher computational resource requirements.

Meta-learning has emerged as a powerful approach to train neural networks to learn new tasks quickly from limited data. Broad exposure to different tasks leads to versatile representations enabling general problem solving. But, what are the limits of meta-learning? In this work, we explore the potential of amortizing the most powerful universal predictor, namely Solomonoff Induction (SI), into neural networks via leveraging meta-learning to its limits. We use Universal Turing Machines (UTMs) to generate training data used to expose networks to a broad range of patterns. We provide theoretical analysis of the UTM data generation processes and meta-training protocols. We conduct comprehensive experiments with neural architectures (e.g. LSTMs, Transformers) and algorithmic data generators of varying complexity and universality. Our results suggest that UTM data is a valuable resource for meta-learning, and that it can be used to train neural networks capable of learning universal prediction strategies.

Recent works have suggested that finite Bayesian neural networks may sometimes outperform their infinite cousins because finite networks can flexibly adapt their internal representations. However, our theoretical understanding of how the learned hidden layer representations of finite networks differ from the fixed representations of infinite networks remains incomplete. Perturbative finite-width corrections to the network prior and posterior have been studied, but the asymptotics of learned features have not been fully characterized. Here, we argue that the leading finite-width corrections to the average feature kernels for any Bayesian network with linear readout and Gaussian likelihood have a largely universal form. We illustrate this explicitly for three tractable network architectures: deep linear fully-connected and convolutional networks, and networks with a single nonlinear hidden layer. Our results begin to elucidate how task-relevant learning signals shape the hidden layer representations of wide Bayesian neural networks.

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

The Universal Approximation Theorem posits that neural networks can theoretically possess unlimited approximation capacity with a suitable activation function and a freely chosen or trained set of parameters. However, a more practical scenario arises when these neural parameters, especially the nonlinear weights and biases, are bounded. This leads us to question: Does the approximation capacity of a neural network remain universal, or does it have a limit when the parameters are practically bounded? And if it has a limit, how can it be measured? Our theoretical study indicates that while universal approximation is theoretically feasible, in practical numerical scenarios, Deep Neural Networks (DNNs) with any analytic activation functions (such as Tanh and Sigmoid) can only be approximated by a finite-dimensional vector space under a bounded nonlinear parameter space (NP space), whether in a continuous or discrete sense. Based on this study, we introduce the concepts of ε outer measure and Numerical Span Dimension (NSdim) to quantify the approximation capacity limit of a family of networks both theoretically and practically. Furthermore, drawing on our new theoretical study and adopting a fresh perspective, we strive to understand the relationship between back-propagation neural networks and random parameter networks (such as the Extreme Learning Machine (ELM)) with both finite and infinite width. We also aim to provide fresh insights into regularization, the trade-off between width and depth, parameter space, width redundancy, condensation, and other related important issues.

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

Many machine learning tasks involve learning functions that are known to be invariant or equivariant to certain symmetries of the input data. However, it is often challenging to design neural network architectures that respect these symmetries while being expressive and computationally efficient. For example, Euclidean motion invariant/equivariant graph or point cloud neural networks. We introduce Frame Averaging (FA), a general purpose and systematic framework for adapting known (backbone) architectures to become invariant or equivariant to new symmetry types. Our framework builds on the well known group averaging operator that guarantees invariance or equivariance but is intractable. In contrast, we observe that for many important classes of symmetries, this operator can be replaced with an averaging operator over a small subset of the group elements, called a frame. We show that averaging over a frame guarantees exact invariance or equivariance while often being much simpler to compute than averaging over the entire group. Furthermore, we prove that FA-based models have maximal expressive power in a broad setting and in general preserve the expressive power of their backbone architectures. Using frame averaging, we propose a new class of universal Graph Neural Networks (GNNs), universal Euclidean motion invariant point cloud networks, and Euclidean motion invariant Message Passing (MP) GNNs. We demonstrate the practical effectiveness of FA on several applications including point cloud normal estimation, beyond 2-WL graph separation, and n-body dynamics prediction, achieving state-of-the-art results in all of these benchmarks.

Existing analyses of the expressive capacity of Transformer models have required excessively deep layers for data memorization, leading to a discrepancy with the Transformers actually used in practice. This is primarily due to the interpretation of the softmax function as an approximation of the hardmax function. By clarifying the connection between the softmax function and the Boltzmann operator, we prove that a single layer of self-attention with low-rank weight matrices possesses the capability to perfectly capture the context of an entire input sequence. As a consequence, we show that one-layer and single-head Transformers have a memorization capacity for finite samples, and that Transformers consisting of one self-attention layer with two feed-forward neural networks are universal approximators for continuous permutation equivariant functions on a compact domain.

We present a framework for using transformer networks as universal computers by programming them with specific weights and placing them in a loop. Our input sequence acts as a punchcard, consisting of instructions and memory for data read/writes. We demonstrate that a constant number of encoder layers can emulate basic computing blocks, including embedding edit operations, non-linear functions, function calls, program counters, and conditional branches. Using these building blocks, we emulate a small instruction-set computer. This allows us to map iterative algorithms to programs that can be executed by a looped, 13-layer transformer. We show how this transformer, instructed by its input, can emulate a basic calculator, a basic linear algebra library, and in-context learning algorithms that employ backpropagation. Our work highlights the versatility of the attention mechanism, and demonstrates that even shallow transformers can execute full-fledged, general-purpose programs.

We present a comprehensive study of deep bidirectional long short-term memory (LSTM) recurrent neural network (RNN) based acoustic models for automatic speech recognition (ASR). We study the effect of size and depth and train models of up to 8 layers. We investigate the training aspect and study different variants of optimization methods, batching, truncated backpropagation, different regularization techniques such as dropout and L_2 regularization, and different gradient clipping variants. The major part of the experimental analysis was performed on the Quaero corpus. Additional experiments also were performed on the Switchboard corpus. Our best LSTM model has a relative improvement in word error rate of over 14\% compared to our best feed-forward neural network (FFNN) baseline on the Quaero task. On this task, we get our best result with an 8 layer bidirectional LSTM and we show that a pretraining scheme with layer-wise construction helps for deep LSTMs. Finally we compare the training calculation time of many of the presented experiments in relation with recognition performance. All the experiments were done with RETURNN, the RWTH extensible training framework for universal recurrent neural networks in combination with RASR, the RWTH ASR toolkit.

Even as pre-trained language models share a semantic encoder, natural language understanding suffers from a diversity of output schemas. In this paper, we propose UBERT, a unified bidirectional language understanding model based on BERT framework, which can universally model the training objects of different NLU tasks through a biaffine network. Specifically, UBERT encodes prior knowledge from various aspects, uniformly constructing learning representations across multiple NLU tasks, which is conducive to enhancing the ability to capture common semantic understanding. By using the biaffine to model scores pair of the start and end position of the original text, various classification and extraction structures can be converted into a universal, span-decoding approach. Experiments show that UBERT wins the first price in the 2022 AIWIN - World Artificial Intelligence Innovation Competition, Chinese insurance few-shot multi-task track, and realizes the unification of extensive information extraction and linguistic reasoning tasks.

Methods of computational quantum chemistry provide accurate approximations of molecular properties crucial for computer-aided drug discovery and other areas of chemical science. However, high computational complexity limits the scalability of their applications. Neural network potentials (NNPs) are a promising alternative to quantum chemistry methods, but they require large and diverse datasets for training. This work presents a new dataset and benchmark called nabla^2DFT that is based on the nablaDFT. It contains twice as much molecular structures, three times more conformations, new data types and tasks, and state-of-the-art models. The dataset includes energies, forces, 17 molecular properties, Hamiltonian and overlap matrices, and a wavefunction object. All calculations were performed at the DFT level (omegaB97X-D/def2-SVP) for each conformation. Moreover, nabla^2DFT is the first dataset that contains relaxation trajectories for a substantial number of drug-like molecules. We also introduce a novel benchmark for evaluating NNPs in molecular property prediction, Hamiltonian prediction, and conformational optimization tasks. Finally, we propose an extendable framework for training NNPs and implement 10 models within it.

As in statistical physics, the concept of universality plays an important, albeit qualitative, role in the field of comparative mythology. Here we apply statistical mechanical tools to analyse the networks underlying three iconic mythological narratives with a view to identifying common and distinguishing quantitative features. Of the three narratives, an Anglo-Saxon and a Greek text are mostly believed by antiquarians to be partly historically based while the third, an Irish epic, is often considered to be fictional. Here we show that network analysis is able to discriminate real from imaginary social networks and place mythological narratives on the spectrum between them. Moreover, the perceived artificiality of the Irish narrative can be traced back to anomalous features associated with six characters. Considering these as amalgams of several entities or proxies, renders the plausibility of the Irish text comparable to the others from a network-theoretic point of view.

We show that deep belief networks with binary hidden units can approximate any multivariate probability density under very mild integrability requirements on the parental density of the visible nodes. The approximation is measured in the L^q-norm for qin[1,infty] (q=infty corresponding to the supremum norm) and in Kullback-Leibler divergence. Furthermore, we establish sharp quantitative bounds on the approximation error in terms of the number of hidden units.

Modern deep neural networks (DNNs) represent a formidable challenge for theorists: according to the commonly accepted probabilistic framework that describes their performance, these architectures should overfit due to the huge number of parameters to train, but in practice they do not. Here we employ results from replica mean field theory to compute the generalisation gap of machine learning models with quenched features, in the teacher-student scenario and for regression problems with quadratic loss function. Notably, this framework includes the case of DNNs where the last layer is optimised given a specific realisation of the remaining weights. We show how these results -- combined with ideas from statistical learning theory -- provide a stringent asymptotic upper bound on the generalisation gap of fully trained DNN as a function of the size of the dataset P. In particular, in the limit of large P and N_{out} (where N_out is the size of the last layer) and N_out ll P, the generalisation gap approaches zero faster than 2 N_out/P, for any choice of both architecture and teacher function. Notably, this result greatly improves existing bounds from statistical learning theory. We test our predictions on a broad range of architectures, from toy fully-connected neural networks with few hidden layers to state-of-the-art deep convolutional neural networks.

Deep neural networks have achieved remarkable accomplishments in practice. The success of these networks hinges on effective initialization methods, which are vital for ensuring stable and rapid convergence during training. Recently, initialization methods that maintain identity transition within layers have shown good efficiency in network training. These techniques (e.g., Fixup) set specific weights to zero to achieve identity control. However, settings of remaining weight (e.g., Fixup uses random values to initialize non-zero weights) will affect the inductive bias that is achieved only by a zero weight, which may be harmful to training. Addressing this concern, we introduce fully identical initialization (IDInit), a novel method that preserves identity in both the main and sub-stem layers of residual networks. IDInit employs a padded identity-like matrix to overcome rank constraints in non-square weight matrices. Furthermore, we show the convergence problem of an identity matrix can be solved by stochastic gradient descent. Additionally, we enhance the universality of IDInit by processing higher-order weights and addressing dead neuron problems. IDInit is a straightforward yet effective initialization method, with improved convergence, stability, and performance across various settings, including large-scale datasets and deep models.

Domain adaptation framework of GANs has achieved great progress in recent years as a main successful approach of training contemporary GANs in the case of very limited training data. In this work, we significantly improve this framework by proposing an extremely compact parameter space for fine-tuning the generator. We introduce a novel domain-modulation technique that allows to optimize only 6 thousand-dimensional vector instead of 30 million weights of StyleGAN2 to adapt to a target domain. We apply this parameterization to the state-of-art domain adaptation methods and show that it has almost the same expressiveness as the full parameter space. Additionally, we propose a new regularization loss that considerably enhances the diversity of the fine-tuned generator. Inspired by the reduction in the size of the optimizing parameter space we consider the problem of multi-domain adaptation of GANs, i.e. setting when the same model can adapt to several domains depending on the input query. We propose the HyperDomainNet that is a hypernetwork that predicts our parameterization given the target domain. We empirically confirm that it can successfully learn a number of domains at once and may even generalize to unseen domains. Source code can be found at https://github.com/MACderRu/HyperDomainNet

The study of universal approximation properties (UAP) for neural networks (NN) has a long history. When the network width is unlimited, only a single hidden layer is sufficient for UAP. In contrast, when the depth is unlimited, the width for UAP needs to be not less than the critical width w^*_{min}=max(d_x,d_y), where d_x and d_y are the dimensions of the input and output, respectively. Recently, cai2022achieve shows that a leaky-ReLU NN with this critical width can achieve UAP for L^p functions on a compact domain K, i.e., the UAP for L^p(K,R^{d_y}). This paper examines a uniform UAP for the function class C(K,R^{d_y}) and gives the exact minimum width of the leaky-ReLU NN as w_{min}=max(d_x+1,d_y)+1_{d_y=d_x+1}, which involves the effects of the output dimensions. To obtain this result, we propose a novel lift-flow-discretization approach that shows that the uniform UAP has a deep connection with topological theory.

It has been shown that deep neural networks of a large enough width are universal approximators but they are not if the width is too small. There were several attempts to characterize the minimum width w_{min} enabling the universal approximation property; however, only a few of them found the exact values. In this work, we show that the minimum width for L^p approximation of L^p functions from [0,1]^{d_x} to mathbb R^{d_y} is exactly max{d_x,d_y,2} if an activation function is ReLU-Like (e.g., ReLU, GELU, Softplus). Compared to the known result for ReLU networks, w_{min}=max{d_x+1,d_y} when the domain is mathbb R^{d_x}, our result first shows that approximation on a compact domain requires smaller width than on mathbb R^{d_x}. We next prove a lower bound on w_{min} for uniform approximation using general activation functions including ReLU: w_{min}ge d_y+1 if d_x<d_yle2d_x. Together with our first result, this shows a dichotomy between L^p and uniform approximations for general activation functions and input/output dimensions.

Relational pooling is a framework for building more expressive and permutation-invariant graph neural networks. However, there is limited understanding of the exact enhancement in the expressivity of RP and its connection with the Weisfeiler Lehman hierarchy. Starting from RP, we propose to explicitly assign labels to nodes as additional features to improve expressive power of message passing neural networks. The method is then extended to higher dimensional WL, leading to a novel k,l-WL algorithm, a more general framework than k-WL. Theoretically, we analyze the expressivity of k,l-WL with respect to k and l and unifies it with a great number of subgraph GNNs. Complexity reduction methods are also systematically discussed to build powerful and practical k,l-GNN instances. We theoretically and experimentally prove that our method is universally compatible and capable of improving the expressivity of any base GNN model. Our k,l-GNNs achieve superior performance on many synthetic and real-world datasets, which verifies the effectiveness of our framework.

Recurrent neural networks (RNNs) sequentially process data by updating their state with each new data point, and have long been the de facto choice for sequence modeling tasks. However, their inherently sequential computation makes them slow to train. Feed-forward and convolutional architectures have recently been shown to achieve superior results on some sequence modeling tasks such as machine translation, with the added advantage that they concurrently process all inputs in the sequence, leading to easy parallelization and faster training times. Despite these successes, however, popular feed-forward sequence models like the Transformer fail to generalize in many simple tasks that recurrent models handle with ease, e.g. copying strings or even simple logical inference when the string or formula lengths exceed those observed at training time. We propose the Universal Transformer (UT), a parallel-in-time self-attentive recurrent sequence model which can be cast as a generalization of the Transformer model and which addresses these issues. UTs combine the parallelizability and global receptive field of feed-forward sequence models like the Transformer with the recurrent inductive bias of RNNs. We also add a dynamic per-position halting mechanism and find that it improves accuracy on several tasks. In contrast to the standard Transformer, under certain assumptions, UTs can be shown to be Turing-complete. Our experiments show that UTs outperform standard Transformers on a wide range of algorithmic and language understanding tasks, including the challenging LAMBADA language modeling task where UTs achieve a new state of the art, and machine translation where UTs achieve a 0.9 BLEU improvement over Transformers on the WMT14 En-De dataset.

We show that deep neural networks trained across diverse tasks exhibit remarkably similar low-dimensional parametric subspaces. We provide the first large-scale empirical evidence that demonstrates that neural networks systematically converge to shared spectral subspaces regardless of initialization, task, or domain. Through mode-wise spectral analysis of over 1100 models - including 500 Mistral-7B LoRAs, 500 Vision Transformers, and 50 LLaMA-8B models - we identify universal subspaces capturing majority variance in just a few principal directions. By applying spectral decomposition techniques to the weight matrices of various architectures trained on a wide range of tasks and datasets, we identify sparse, joint subspaces that are consistently exploited, within shared architectures across diverse tasks and datasets. Our findings offer new insights into the intrinsic organization of information within deep networks and raise important questions about the possibility of discovering these universal subspaces without the need for extensive data and computational resources. Furthermore, this inherent structure has significant implications for model reusability, multi-task learning, model merging, and the development of training and inference-efficient algorithms, potentially reducing the carbon footprint of large-scale neural models.

Learning a universal policy across different robot morphologies can significantly improve learning efficiency and generalization in continuous control. However, it poses a challenging multi-task reinforcement learning problem, as the optimal policy may be quite different across robots and critically depend on the morphology. Existing methods utilize graph neural networks or transformers to handle heterogeneous state and action spaces across different morphologies, but pay little attention to the dependency of a robot's control policy on its morphology context. In this paper, we propose a hierarchical architecture to better model this dependency via contextual modulation, which includes two key submodules: (1) Instead of enforcing hard parameter sharing across robots, we use hypernetworks to generate morphology-dependent control parameters; (2) We propose a morphology-dependent attention mechanism to modulate the interactions between different limbs in a robot. Experimental results show that our method not only improves learning performance on a diverse set of training robots, but also generalizes better to unseen morphologies in a zero-shot fashion.

A common expectation is that career productivity peaks rather early and then gradually declines with seniority. But whether this holds true is still an open question. Here we investigate the productivity trajectories of almost 8,500 scientists from over fifty disciplines using methods from time series analysis, dimensionality reduction, and network science, showing that there exist six universal productivity patterns in research. Based on clusters of productivity trajectories and network representations where researchers with similar productivity patterns are connected, we identify constant, u-shaped, decreasing, periodic-like, increasing, and canonical productivity patterns, with the latter two describing almost three-fourths of researchers. In fact, we find that canonical curves are the most prevalent, but contrary to expectations, productivity peaks occur much more frequently around mid-career rather than early. These results outline the boundaries of possible career paths in science and caution against the adoption of stereotypes in tenure and funding decisions.

We propose a novel random walk-based algorithm for unbiased estimation of arbitrary functions of a weighted adjacency matrix, coined universal graph random features (u-GRFs). This includes many of the most popular examples of kernels defined on the nodes of a graph. Our algorithm enjoys subquadratic time complexity with respect to the number of nodes, overcoming the notoriously prohibitive cubic scaling of exact graph kernel evaluation. It can also be trivially distributed across machines, permitting learning on much larger networks. At the heart of the algorithm is a modulation function which upweights or downweights the contribution from different random walks depending on their lengths. We show that by parameterising it with a neural network we can obtain u-GRFs that give higher-quality kernel estimates or perform efficient, scalable kernel learning. We provide robust theoretical analysis and support our findings with experiments including pointwise estimation of fixed graph kernels, solving non-homogeneous graph ordinary differential equations, node clustering and kernel regression on triangular meshes.

Star-convex shapes arise across bio-microscopy and radiology in the form of nuclei, nodules, metastases, and other units. Existing instance segmentation networks for such structures train on densely labeled instances for each dataset, which requires substantial and often impractical manual annotation effort. Further, significant reengineering or finetuning is needed when presented with new datasets and imaging modalities due to changes in contrast, shape, orientation, resolution, and density. We present AnyStar, a domain-randomized generative model that simulates synthetic training data of blob-like objects with randomized appearance, environments, and imaging physics to train general-purpose star-convex instance segmentation networks. As a result, networks trained using our generative model do not require annotated images from unseen datasets. A single network trained on our synthesized data accurately 3D segments C. elegans and P. dumerilii nuclei in fluorescence microscopy, mouse cortical nuclei in micro-CT, zebrafish brain nuclei in EM, and placental cotyledons in human fetal MRI, all without any retraining, finetuning, transfer learning, or domain adaptation. Code is available at https://github.com/neel-dey/AnyStar.

Deep learning employs multi-layer neural networks trained via the backpropagation algorithm. This approach has achieved success across many domains and relies on adaptive gradient methods such as the Adam optimizer. Sequence modeling evolved from recurrent neural networks to attention-based models, culminating in the Transformer architecture. Transformers have achieved state-of-the-art performance in natural language processing (for example, BERT and GPT-3) and have been applied in computer vision and computational biology. However, theoretical understanding of these models remains limited. In this paper, we examine the mathematical foundations of deep learning and Transformers and present a novel theoretical result. We review key concepts from linear algebra, probability, and optimization that underpin deep learning, and we analyze the multi-head self-attention mechanism and the backpropagation algorithm in detail. Our main contribution is a universal approximation theorem for Transformers: we prove that a single-layer Transformer, comprising one self-attention layer followed by a position-wise feed-forward network with ReLU activation, can approximate any continuous sequence-to-sequence mapping on a compact domain to arbitrary precision. We provide a formal statement and a complete proof. Finally, we present case studies that demonstrate the practical implications of this result. Our findings advance the theoretical understanding of Transformer models and help bridge the gap between theory and practice.

Deep neural networks (DNNs) are susceptible to backdoor attacks, where adversaries poison datasets with adversary-specified triggers to implant hidden backdoors, enabling malicious manipulation of model predictions. Dataset purification serves as a proactive defense by removing malicious training samples to prevent backdoor injection at its source. We first reveal that the current advanced purification methods rely on a latent assumption that the backdoor connections between triggers and target labels in backdoor attacks are simpler to learn than the benign features. We demonstrate that this assumption, however, does not always hold, especially in all-to-all (A2A) and untargeted (UT) attacks. As a result, purification methods that analyze the separation between the poisoned and benign samples in the input-output space or the final hidden layer space are less effective. We observe that this separability is not confined to a single layer but varies across different hidden layers. Motivated by this understanding, we propose FLARE, a universal purification method to counter various backdoor attacks. FLARE aggregates abnormal activations from all hidden layers to construct representations for clustering. To enhance separation, FLARE develops an adaptive subspace selection algorithm to isolate the optimal space for dividing an entire dataset into two clusters. FLARE assesses the stability of each cluster and identifies the cluster with higher stability as poisoned. Extensive evaluations on benchmark datasets demonstrate the effectiveness of FLARE against 22 representative backdoor attacks, including all-to-one (A2O), all-to-all (A2A), and untargeted (UT) attacks, and its robustness to adaptive attacks. Codes are available at https://github.com/THUYimingLi/BackdoorBox{BackdoorBox} and https://github.com/vtu81/backdoor-toolbox{backdoor-toolbox}.

Deep neural networks are vulnerable to universal adversarial perturbation (UAP), an instance-agnostic perturbation capable of fooling the target model for most samples. Compared to instance-specific adversarial examples, UAP is more challenging as it needs to generalize across various samples and models. In this paper, we examine the serious dilemma of UAP generation methods from a generalization perspective -- the gradient vanishing problem using small-batch stochastic gradient optimization and the local optima problem using large-batch optimization. To address these problems, we propose a simple and effective method called Stochastic Gradient Aggregation (SGA), which alleviates the gradient vanishing and escapes from poor local optima at the same time. Specifically, SGA employs the small-batch training to perform multiple iterations of inner pre-search. Then, all the inner gradients are aggregated as a one-step gradient estimation to enhance the gradient stability and reduce quantization errors. Extensive experiments on the standard ImageNet dataset demonstrate that our method significantly enhances the generalization ability of UAP and outperforms other state-of-the-art methods. The code is available at https://github.com/liuxuannan/Stochastic-Gradient-Aggregation.

Spiking Neural Networks (SNNs) are computational models inspired by the structure and dynamics of biological neuronal networks. Their event-driven nature enables them to achieve high energy efficiency, particularly when deployed on neuromorphic hardware platforms. Unlike conventional Artificial Neural Networks (ANNs), which primarily rely on layered architectures, SNNs naturally support a wide range of connectivity patterns, from traditional layered structures to small-world graphs characterized by locally dense and globally sparse connections. In this work, we introduce NeuroCoreX, an FPGA-based emulator designed for the flexible co-design and testing of SNNs. NeuroCoreX supports all-to-all connectivity, providing the capability to implement diverse network topologies without architectural restrictions. It features a biologically motivated local learning mechanism based on Spike-Timing-Dependent Plasticity (STDP). The neuron model implemented within NeuroCoreX is the Leaky Integrate-and-Fire (LIF) model, with current-based synapses facilitating spike integration and transmission . A Universal Asynchronous Receiver-Transmitter (UART) interface is provided for programming and configuring the network parameters, including neuron, synapse, and learning rule settings. Users interact with the emulator through a simple Python-based interface, streamlining SNN deployment from model design to hardware execution. NeuroCoreX is released as an open-source framework, aiming to accelerate research and development in energy-efficient, biologically inspired computing.

We address the neural network robustness problem by adding Similarity (i.e., correctly predicted depth-matches into training)-awareness and Distance-to-training-distribution-awareness to the existing output Magnitude (i.e., decision-boundary)-awareness of the softmax function. The resulting SDM activation function provides strong signals of the relative epistemic (reducible) predictive uncertainty. We use this novel behavior to further address the complementary HCI problem of mapping the output to human-interpretable summary statistics over relevant partitions of a held-out calibration set. Estimates of prediction-conditional uncertainty are obtained via a parsimonious learned transform over the class-conditional empirical CDFs of the output of a final-layer SDM activation function. For decision-making and as an intrinsic model check, estimates of class-conditional accuracy are obtained by further partitioning the high-probability regions of this calibrated output into class-conditional, region-specific CDFs. The uncertainty estimates from SDM calibration are remarkably robust to test-time distribution shifts and out-of-distribution inputs; incorporate awareness of the effective sample size; provide estimates of uncertainty from the learning and data splitting processes; and are well-suited for selective classification and conditional branching for additional test-time compute based on the predictive uncertainty, as for selective LLM generation, routing, and composition over multiple models and retrieval. Finally, we construct SDM networks, LLMs with uncertainty-aware verification and interpretability-by-exemplar as intrinsic properties. We provide open-source software implementing these results.

Deep learning techniques are increasingly applied to scientific problems, where the precision of networks is crucial. Despite being deemed as universal function approximators, neural networks, in practice, struggle to reduce the prediction errors below O(10^{-5}) even with large network size and extended training iterations. To address this issue, we developed the multi-stage neural networks that divides the training process into different stages, with each stage using a new network that is optimized to fit the residue from the previous stage. Across successive stages, the residue magnitudes decreases substantially and follows an inverse power-law relationship with the residue frequencies. The multi-stage neural networks effectively mitigate the spectral biases associated with regular neural networks, enabling them to capture the high frequency feature of target functions. We demonstrate that the prediction error from the multi-stage training for both regression problems and physics-informed neural networks can nearly reach the machine-precision O(10^{-16}) of double-floating point within a finite number of iterations. Such levels of accuracy are rarely attainable using single neural networks alone.

A recurrent neural network (RNN) is a widely used deep-learning network for dealing with sequential data. Imitating a dynamical system, an infinite-width RNN can approximate any open dynamical system in a compact domain. In general, deep networks with bounded widths are more effective than wide networks in practice; however, the universal approximation theorem for deep narrow structures has yet to be extensively studied. In this study, we prove the universality of deep narrow RNNs and show that the upper bound of the minimum width for universality can be independent of the length of the data. Specifically, we show that a deep RNN with ReLU activation can approximate any continuous function or L^p function with the widths d_x+d_y+2 and max{d_x+1,d_y}, respectively, where the target function maps a finite sequence of vectors in R^{d_x} to a finite sequence of vectors in R^{d_y}. We also compute the additional width required if the activation function is tanh or more. In addition, we prove the universality of other recurrent networks, such as bidirectional RNNs. Bridging a multi-layer perceptron and an RNN, our theory and proof technique can be an initial step toward further research on deep RNNs.

In many cases, the computing resources are limited without the benefit from GPU, especially in the edge devices of IoT enabled systems. It may not be easy to implement complex AI models in edge devices. The Universal Approximation Theorem states that a shallow neural network (SNN) can represent any nonlinear function. However, how fat is an SNN enough to solve a nonlinear decision-making problem in edge devices? In this paper, we focus on the learnability and robustness of SNNs, obtained by a greedy tight force heuristic algorithm (performance driven BP) and a loose force meta-heuristic algorithm (a variant of PSO). Two groups of experiments are conducted to examine the learnability and the robustness of SNNs with Sigmoid activation, learned/optimised by KPI-PDBPs and KPI-VPSOs, where, KPIs (key performance indicators: error (ERR), accuracy (ACC) and F_1 score) are the objectives, driving the searching process. An incremental approach is applied to examine the impact of hidden neuron numbers on the performance of SNNs, learned/optimised by KPI-PDBPs and KPI-VPSOs. From the engineering prospective, all sensors are well justified for a specific task. Hence, all sensor readings should be strongly correlated to the target. Therefore, the structure of an SNN should depend on the dimensions of a problem space. The experimental results show that the number of hidden neurons up to the dimension number of a problem space is enough; the learnability of SNNs, produced by KPI-PDBP, is better than that of SNNs, optimized by KPI-VPSO, regarding the performance and learning time on the training data sets; the robustness of SNNs learned by KPI-PDBPs and KPI-VPSOs depends on the data sets; and comparing with other classic machine learning models, ACC-PDBPs win for almost all tested data sets.

This study introduces a Masked Degradation Classification Pre-Training method (MaskDCPT), designed to facilitate the classification of degradation types in input images, leading to comprehensive image restoration pre-training. Unlike conventional pre-training methods, MaskDCPT uses the degradation type of the image as an extremely weak supervision, while simultaneously leveraging the image reconstruction to enhance performance and robustness. MaskDCPT includes an encoder and two decoders: the encoder extracts features from the masked low-quality input image. The classification decoder uses these features to identify the degradation type, whereas the reconstruction decoder aims to reconstruct a corresponding high-quality image. This design allows the pre-training to benefit from both masked image modeling and contrastive learning, resulting in a generalized representation suited for restoration tasks. Benefit from the straightforward yet potent MaskDCPT, the pre-trained encoder can be used to address universal image restoration and achieve outstanding performance. Implementing MaskDCPT significantly improves performance for both convolution neural networks (CNNs) and Transformers, with a minimum increase in PSNR of 3.77 dB in the 5D all-in-one restoration task and a 34.8% reduction in PIQE compared to baseline in real-world degradation scenarios. It also emergences strong generalization to previously unseen degradation types and levels. In addition, we curate and release the UIR-2.5M dataset, which includes 2.5 million paired restoration samples across 19 degradation types and over 200 degradation levels, incorporating both synthetic and real-world data. The dataset, source code, and models are available at https://github.com/MILab-PKU/MaskDCPT.

This paper proposes the Degradation Classification Pre-Training (DCPT), which enables models to learn how to classify the degradation type of input images for universal image restoration pre-training. Unlike the existing self-supervised pre-training methods, DCPT utilizes the degradation type of the input image as an extremely weak supervision, which can be effortlessly obtained, even intrinsic in all image restoration datasets. DCPT comprises two primary stages. Initially, image features are extracted from the encoder. Subsequently, a lightweight decoder, such as ResNet18, is leveraged to classify the degradation type of the input image solely based on the features extracted in the first stage, without utilizing the input image. The encoder is pre-trained with a straightforward yet potent DCPT, which is used to address universal image restoration and achieve outstanding performance. Following DCPT, both convolutional neural networks (CNNs) and transformers demonstrate performance improvements, with gains of up to 2.55 dB in the 10D all-in-one restoration task and 6.53 dB in the mixed degradation scenarios. Moreover, previous self-supervised pretraining methods, such as masked image modeling, discard the decoder after pre-training, while our DCPT utilizes the pre-trained parameters more effectively. This superiority arises from the degradation classifier acquired during DCPT, which facilitates transfer learning between models of identical architecture trained on diverse degradation types. Source code and models are available at https://github.com/MILab-PKU/dcpt.

Large-kernel convolutional neural networks (ConvNets) have recently received extensive research attention, but there are two unresolved and critical issues that demand further investigation. 1) The architectures of existing large-kernel ConvNets largely follow the design principles of conventional ConvNets or transformers, while the architectural design for large-kernel ConvNets remains under-addressed. 2) As transformers have dominated multiple modalities, it remains to be investigated whether ConvNets also have a strong universal perception ability in domains beyond vision. In this paper, we contribute from two aspects. 1) We propose four architectural guidelines for designing large-kernel ConvNets, the core of which is to exploit the essential characteristics of large kernels that distinguish them from small kernels - they can see wide without going deep. Following such guidelines, our proposed large-kernel ConvNet shows leading performance in image recognition. For example, our models achieve an ImageNet accuracy of 88.0%, ADE20K mIoU of 55.6%, and COCO box AP of 56.4%, demonstrating better performance and higher speed than a number of recently proposed powerful competitors. 2) We discover that large kernels are the key to unlocking the exceptional performance of ConvNets in domains where they were originally not proficient. With certain modality-related preprocessing approaches, the proposed model achieves state-of-the-art performance on time-series forecasting and audio recognition tasks even without modality-specific customization to the architecture. Code and all the models at https://github.com/AILab-CVC/UniRepLKNet.

Deep Neural Networks (DNNs) have achieved widespread success yet remain prone to adversarial attacks. Typically, such attacks either involve frequent queries to the target model or rely on surrogate models closely mirroring the target model -- often trained with subsets of the target model's training data -- to achieve high attack success rates through transferability. However, in realistic scenarios where training data is inaccessible and excessive queries can raise alarms, crafting adversarial examples becomes more challenging. In this paper, we present UnivIntruder, a novel attack framework that relies solely on a single, publicly available CLIP model and publicly available datasets. By using textual concepts, UnivIntruder generates universal, transferable, and targeted adversarial perturbations that mislead DNNs into misclassifying inputs into adversary-specified classes defined by textual concepts. Our extensive experiments show that our approach achieves an Attack Success Rate (ASR) of up to 85% on ImageNet and over 99% on CIFAR-10, significantly outperforming existing transfer-based methods. Additionally, we reveal real-world vulnerabilities, showing that even without querying target models, UnivIntruder compromises image search engines like Google and Baidu with ASR rates up to 84%, and vision language models like GPT-4 and Claude-3.5 with ASR rates up to 80%. These findings underscore the practicality of our attack in scenarios where traditional avenues are blocked, highlighting the need to reevaluate security paradigms in AI applications.

Fine-tuning pre-trained models has emerged as a powerful technique in numerous domains, owing to its ability to leverage enormous pre-existing knowledge and achieve remarkable performance on downstream tasks. However, updating the parameters of entire networks is computationally intensive. Although state-of-the-art parameter-efficient transfer learning (PETL) methods significantly reduce the trainable parameters and storage demand, almost all of them still need to back-propagate the gradients through large pre-trained networks. This memory-extensive characteristic extremely limits the applicability of PETL methods in real-world scenarios. To this end, we propose a new memory-efficient PETL strategy, dubbed Universal Parallel Tuning (UniPT). Specifically, we facilitate the transfer process via a lightweight learnable parallel network, which consists of two modules: 1) A parallel interaction module that decouples the inherently sequential connections and processes the intermediate activations detachedly of the pre-trained network. 2) A confidence aggregation module that learns optimal strategies adaptively for integrating cross-layer features. We evaluate UniPT with different backbones (e.g., VSEinfty, CLIP4Clip, Clip-ViL, and MDETR) on five challenging vision-and-language tasks (i.e., image-text retrieval, video-text retrieval, visual question answering, compositional question answering, and visual grounding). Extensive ablations on ten datasets have validated that our UniPT can not only dramatically reduce memory consumption and outperform the best memory-efficient competitor, but also achieve higher performance than existing PETL methods in a low-memory scenario on different architectures. Our code is publicly available at: https://github.com/Paranioar/UniPT.

Feedforward neural networks are widely used as universal predictive models to fit data distribution. Common gradient-based learning, however, suffers from many drawbacks making the training process ineffective and time-consuming. Alternative randomized learning does not use gradients but selects hidden node parameters randomly. This makes the training process extremely fast. However, the problem in randomized learning is how to determine the random parameters. A recently proposed method uses autoencoders for unsupervised parameter learning. This method showed superior performance on classification tasks. In this work, we apply this method to regression problems, and, finding that it has some drawbacks, we show how to improve it. We propose a learning method of autoencoders that controls the produced random weights. We also propose how to determine the biases of hidden nodes. We empirically compare autoencoder based learning with other randomized learning methods proposed recently for regression and find that despite the proposed improvement of the autoencoder based learning, it does not outperform its competitors in fitting accuracy. Moreover, the method is much more complex than its competitors.

We introduce X-Adapter, a universal upgrader to enable the pretrained plug-and-play modules (e.g., ControlNet, LoRA) to work directly with the upgraded text-to-image diffusion model (e.g., SDXL) without further retraining. We achieve this goal by training an additional network to control the frozen upgraded model with the new text-image data pairs. In detail, X-Adapter keeps a frozen copy of the old model to preserve the connectors of different plugins. Additionally, X-Adapter adds trainable mapping layers that bridge the decoders from models of different versions for feature remapping. The remapped features will be used as guidance for the upgraded model. To enhance the guidance ability of X-Adapter, we employ a null-text training strategy for the upgraded model. After training, we also introduce a two-stage denoising strategy to align the initial latents of X-Adapter and the upgraded model. Thanks to our strategies, X-Adapter demonstrates universal compatibility with various plugins and also enables plugins of different versions to work together, thereby expanding the functionalities of diffusion community. To verify the effectiveness of the proposed method, we conduct extensive experiments and the results show that X-Adapter may facilitate wider application in the upgraded foundational diffusion model.

The increasing capabilities of Large Language Models (LLMs) have raised concerns about their misuse in AI-generated plagiarism and social engineering. While various AI-generated text detectors have been proposed to mitigate these risks, many remain vulnerable to simple evasion techniques such as paraphrasing. However, recent detectors have shown greater robustness against such basic attacks. In this work, we introduce Adversarial Paraphrasing, a training-free attack framework that universally humanizes any AI-generated text to evade detection more effectively. Our approach leverages an off-the-shelf instruction-following LLM to paraphrase AI-generated content under the guidance of an AI text detector, producing adversarial examples that are specifically optimized to bypass detection. Extensive experiments show that our attack is both broadly effective and highly transferable across several detection systems. For instance, compared to simple paraphrasing attack--which, ironically, increases the true positive at 1% false positive (T@1%F) by 8.57% on RADAR and 15.03% on Fast-DetectGPT--adversarial paraphrasing, guided by OpenAI-RoBERTa-Large, reduces T@1%F by 64.49% on RADAR and a striking 98.96% on Fast-DetectGPT. Across a diverse set of detectors--including neural network-based, watermark-based, and zero-shot approaches--our attack achieves an average T@1%F reduction of 87.88% under the guidance of OpenAI-RoBERTa-Large. We also analyze the tradeoff between text quality and attack success to find that our method can significantly reduce detection rates, with mostly a slight degradation in text quality. Our adversarial setup highlights the need for more robust and resilient detection strategies in the light of increasingly sophisticated evasion techniques.

Despite recent progress in generative adversarial network (GAN)-based vocoders, where the model generates raw waveform conditioned on acoustic features, it is challenging to synthesize high-fidelity audio for numerous speakers across various recording environments. In this work, we present BigVGAN, a universal vocoder that generalizes well for various out-of-distribution scenarios without fine-tuning. We introduce periodic activation function and anti-aliased representation into the GAN generator, which brings the desired inductive bias for audio synthesis and significantly improves audio quality. In addition, we train our GAN vocoder at the largest scale up to 112M parameters, which is unprecedented in the literature. We identify and address the failure modes in large-scale GAN training for audio, while maintaining high-fidelity output without over-regularization. Our BigVGAN, trained only on clean speech (LibriTTS), achieves the state-of-the-art performance for various zero-shot (out-of-distribution) conditions, including unseen speakers, languages, recording environments, singing voices, music, and instrumental audio. We release our code and model at: https://github.com/NVIDIA/BigVGAN

Linking names across historical sources, languages, and writing systems remains a fundamental challenge in digital humanities and geographic information retrieval. Existing approaches require language-specific phonetic algorithms or fail to capture phonetic relationships across different scripts. This paper presents Symphonym, a neural embedding system that maps names from any script into a unified 128-dimensional phonetic space, enabling direct similarity comparison without runtime phonetic conversion. Symphonym uses a Teacher-Student architecture where a Teacher network trained on articulatory phonetic features produces target embeddings, while a Student network learns to approximate these embeddings directly from characters. The Teacher combines Epitran (extended with 100 new language-script mappings), Phonikud for Hebrew, and CharsiuG2P for Chinese, Japanese, and Korean. Training used 32.7 million triplet samples of toponyms spanning 20 writing systems from GeoNames, Wikidata, and Getty Thesaurus of Geographic Names. On the MEHDIE Hebrew-Arabic historical toponym benchmark, Symphonym achieves Recall@10 of 97.6% and MRR of 90.3%, outperforming Levenshtein and Jaro-Winkler baselines (Recall@1: 86.7% vs 81.5% and 78.5%). Evaluation on 12,947 real cross-script training pairs shows 82.6% achieve greater than 0.75 cosine similarity, with best performance on Arabic-Cyrillic (94--100%) and Cyrillic-Latin (94.3%) combinations. The fixed-length embeddings enable efficient retrieval in digital humanities workflows, with a case study on medieval personal names demonstrating effective transfer from modern place names to historical orthographic variation.

Neural architecture search (NAS) automates the design process of high-performing architectures, but remains bottlenecked by expensive performance evaluation. Most existing studies that achieve faster evaluation are mostly tied to cell-based search spaces and graph encodings tailored to those individual search spaces, limiting their flexibility and scalability when applied to more expressive search spaces. In this work, we aim to close the gap of individual search space restrictions and search space dependent network representations. We present ONNX-Bench, a benchmark consisting of a collection of neural networks in a unified format based on ONNX files. ONNX-Bench includes all open-source NAS-bench-based neural networks, resulting in a total size of more than 600k {architecture, accuracy} pairs. This benchmark allows creating a shared neural network representation, ONNX-Net, able to represent any neural architecture using natural language descriptions acting as an input to a performance predictor. This text-based encoding can accommodate arbitrary layer types, operation parameters, and heterogeneous topologies, enabling a single surrogate to generalise across all neural architectures rather than being confined to cell-based search spaces. Experiments show strong zero-shot performance across disparate search spaces using only a small amount of pretraining samples, enabling the unprecedented ability to evaluate any neural network architecture instantly.

Foreground segmentation is a fundamental task in computer vision, encompassing various subdivision tasks. Previous research has typically designed task-specific architectures for each task, leading to a lack of unification. Moreover, they primarily focus on recognizing foreground objects without effectively distinguishing them from the background. In this paper, we emphasize the importance of the background and its relationship with the foreground. We introduce FOCUS, the Foreground ObjeCts Universal Segmentation framework that can handle multiple foreground tasks. We develop a multi-scale semantic network using the edge information of objects to enhance image features. To achieve boundary-aware segmentation, we propose a novel distillation method, integrating the contrastive learning strategy to refine the prediction mask in multi-modal feature space. We conduct extensive experiments on a total of 13 datasets across 5 tasks, and the results demonstrate that FOCUS consistently outperforms the state-of-the-art task-specific models on most metrics.

We propose UNIVERSE++, a universal speech enhancement method based on score-based diffusion and adversarial training. Specifically, we improve the existing UNIVERSE model that decouples clean speech feature extraction and diffusion. Our contributions are three-fold. First, we make several modifications to the network architecture, improving training stability and final performance. Second, we introduce an adversarial loss to promote learning high quality speech features. Third, we propose a low-rank adaptation scheme with a phoneme fidelity loss to improve content preservation in the enhanced speech. In the experiments, we train a universal enhancement model on a large scale dataset of speech degraded by noise, reverberation, and various distortions. The results on multiple public benchmark datasets demonstrate that UNIVERSE++ compares favorably to both discriminative and generative baselines for a wide range of qualitative and intelligibility metrics.

The inductive bias of a graph neural network (GNN) is largely encoded in its specified graph. Latent graph inference relies on latent geometric representations to dynamically rewire or infer a GNN's graph to maximize the GNN's predictive downstream performance, but it lacks solid theoretical foundations in terms of embedding-based representation guarantees. This paper addresses this issue by introducing a trainable deep learning architecture, coined neural snowflake, that can adaptively implement fractal-like metrics on R^d. We prove that any given finite weights graph can be isometrically embedded by a standard MLP encoder. Furthermore, when the latent graph can be represented in the feature space of a sufficiently regular kernel, we show that the combined neural snowflake and MLP encoder do not succumb to the curse of dimensionality by using only a low-degree polynomial number of parameters in the number of nodes. This implementation enables a low-dimensional isometric embedding of the latent graph. We conduct synthetic experiments to demonstrate the superior metric learning capabilities of neural snowflakes when compared to more familiar spaces like Euclidean space. Additionally, we carry out latent graph inference experiments on graph benchmarks. Consistently, the neural snowflake model achieves predictive performance that either matches or surpasses that of the state-of-the-art latent graph inference models. Importantly, this performance improvement is achieved without requiring random search for optimal latent geometry. Instead, the neural snowflake model achieves this enhancement in a differentiable manner.

Self-supervised speech pre-training enables deep neural network models to capture meaningful and disentangled factors from raw waveform signals. The learned universal speech representations can then be used across numerous downstream tasks. These representations, however, are sensitive to distribution shifts caused by environmental factors, such as noise and/or room reverberation. Their large sizes, in turn, make them unfeasible for edge applications. In this work, we propose a knowledge distillation methodology termed RobustDistiller which compresses universal representations while making them more robust against environmental artifacts via a multi-task learning objective. The proposed layer-wise distillation recipe is evaluated on top of three well-established universal representations, as well as with three downstream tasks. Experimental results show the proposed methodology applied on top of the WavLM Base+ teacher model outperforming all other benchmarks across noise types and levels, as well as reverberation times. Oftentimes, the obtained results with the student model (24M parameters) achieved results inline with those of the teacher model (95M).

Large language models display remarkable capabilities in logical and mathematical reasoning, allowing them to solve complex tasks. Interestingly, these abilities emerge in networks trained on the simple task of next-token prediction. In this work, we present a theoretical framework for studying auto-regressive next-token predictors. We demonstrate that even simple models such as linear next-token predictors, trained on Chain-of-Thought (CoT) data, can approximate any function efficiently computed by a Turing machine. We introduce a new complexity measure -- length complexity -- which measures the number of intermediate tokens in a CoT sequence required to approximate some target function, and analyze the interplay between length complexity and other notions of complexity. Finally, we show experimentally that simple next-token predictors, such as linear networks and shallow Multi-Layer Perceptrons (MLPs), display non-trivial performance on text generation and arithmetic tasks. Our results demonstrate that the power of language models can be attributed, to a great extent, to the auto-regressive next-token training scheme, and not necessarily to a particular choice of architecture.

We study the intriguing connection between visual data, deep networks, and the brain. Our method creates a universal channel alignment by using brain voxel fMRI response prediction as the training objective. We discover that deep networks, trained with different objectives, share common feature channels across various models. These channels can be clustered into recurring sets, corresponding to distinct brain regions, indicating the formation of visual concepts. Tracing the clusters of channel responses onto the images, we see semantically meaningful object segments emerge, even without any supervised decoder. Furthermore, the universal feature alignment and the clustering of channels produce a picture and quantification of how visual information is processed through the different network layers, which produces precise comparisons between the networks.

Models for image representation learning are typically designed for either recognition or generation. Various forms of contrastive learning help models learn to convert images to embeddings that are useful for classification, detection, and segmentation. On the other hand, models can be trained to reconstruct images with pixel-wise, perceptual, and adversarial losses in order to learn a latent space that is useful for image generation. We seek to unify these two directions with a first-of-its-kind model that learns representations which are simultaneously useful for recognition and generation. We train our model as a hyper-network for implicit neural representation, which learns to map images to model weights for fast, accurate reconstruction. We further integrate our INR hyper-network with knowledge distillation to improve its generalization and performance. Beyond the novel training design, the model also learns an unprecedented compressed embedding space with outstanding performance for various visual tasks. The complete model competes with state-of-the-art results for image representation learning, while also enabling generative capabilities with its high-quality tiny embeddings. The code is available at https://github.com/tiktok/huvr.

Existing image contrast enhancement methods are typically designed for specific tasks such as under-/over-exposure correction, low-light and backlit image enhancement, etc. The learned models, however, exhibit poor generalization performance across different tasks, even across different datasets of a specific task. It is important to explore whether we can learn a universal and generalized model for various contrast enhancement tasks. In this work, we observe that the common key factor of these tasks lies in the need of exposure and contrast adjustment, which can be well-addressed if high-dynamic range (HDR) inputs are available. We hence collect 46,928 HDR raw images from public sources, and render 328,496 sRGB images to build multi-exposure sequences (MES) and the corresponding pseudo sRGB ground-truths via multi-exposure fusion. Consequently, we train a network to generate an MES from a single sRGB image, followed by training another network to fuse the generated MES into an enhanced image. Our proposed method, namely UNiversal Image Contrast Enhancer (UNICE), is free of costly human labeling. However, it demonstrates significantly stronger generalization performance than existing image contrast enhancement methods across and within different tasks, even outperforming manually created ground-truths in multiple no-reference image quality metrics. The dataset, code and model are available at https://github.com/BeyondHeaven/UNICE.

Vision-language models such as CLIP have shown great impact on diverse downstream tasks for zero-shot or label-free predictions. However, when it comes to low-level vision such as image restoration their performance deteriorates dramatically due to corrupted inputs. In this paper, we present a degradation-aware vision-language model (DA-CLIP) to better transfer pretrained vision-language models to low-level vision tasks as a universal framework for image restoration. More specifically, DA-CLIP trains an additional controller that adapts the fixed CLIP image encoder to predict high-quality feature embeddings. By integrating the embedding into an image restoration network via cross-attention, we are able to pilot the model to learn a high-fidelity image reconstruction. The controller itself will also output a degradation feature that matches the real corruptions of the input, yielding a natural classifier for different degradation types. In addition, we construct a mixed degradation dataset with synthetic captions for DA-CLIP training. Our approach advances state-of-the-art performance on both degradation-specific and unified image restoration tasks, showing a promising direction of prompting image restoration with large-scale pretrained vision-language models. Our code is available at https://github.com/Algolzw/daclip-uir.

Creating universal speaker encoders which are robust for different acoustic and speech duration conditions is a big challenge today. According to our observations systems trained on short speech segments are optimal for short phrase speaker verification and systems trained on long segments are superior for long segments verification. A system trained simultaneously on pooled short and long speech segments does not give optimal verification results and usually degrades both for short and long segments. This paper addresses the problem of creating universal speaker encoders for different speech segments duration. We describe our simple recipe for training universal speaker encoder for any type of selected neural network architecture. According to our evaluation results of wav2vec-TDNN based systems obtained for NIST SRE and VoxCeleb1 benchmarks the proposed universal encoder provides speaker verification improvements in case of different enrollment and test speech segment duration. The key feature of the proposed encoder is that it has the same inference time as the selected neural network architecture.

Recent advances in diffusion models bring state-of-the-art performance on image generation tasks. However, empirical results from previous research in diffusion models imply an inverse correlation between density estimation and sample generation performances. This paper investigates with sufficient empirical evidence that such inverse correlation happens because density estimation is significantly contributed by small diffusion time, whereas sample generation mainly depends on large diffusion time. However, training a score network well across the entire diffusion time is demanding because the loss scale is significantly imbalanced at each diffusion time. For successful training, therefore, we introduce Soft Truncation, a universally applicable training technique for diffusion models, that softens the fixed and static truncation hyperparameter into a random variable. In experiments, Soft Truncation achieves state-of-the-art performance on CIFAR-10, CelebA, CelebA-HQ 256x256, and STL-10 datasets.

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

A basic question within the emerging field of mechanistic interpretability is the degree to which neural networks learn the same underlying mechanisms. In other words, are neural mechanisms universal across different models? In this work, we study the universality of individual neurons across GPT2 models trained from different initial random seeds, motivated by the hypothesis that universal neurons are likely to be interpretable. In particular, we compute pairwise correlations of neuron activations over 100 million tokens for every neuron pair across five different seeds and find that 1-5\% of neurons are universal, that is, pairs of neurons which consistently activate on the same inputs. We then study these universal neurons in detail, finding that they usually have clear interpretations and taxonomize them into a small number of neuron families. We conclude by studying patterns in neuron weights to establish several universal functional roles of neurons in simple circuits: deactivating attention heads, changing the entropy of the next token distribution, and predicting the next token to (not) be within a particular set.

We present Universal Sparse Autoencoders (USAEs), a framework for uncovering and aligning interpretable concepts spanning multiple pretrained deep neural networks. Unlike existing concept-based interpretability methods, which focus on a single model, USAEs jointly learn a universal concept space that can reconstruct and interpret the internal activations of multiple models at once. Our core insight is to train a single, overcomplete sparse autoencoder (SAE) that ingests activations from any model and decodes them to approximate the activations of any other model under consideration. By optimizing a shared objective, the learned dictionary captures common factors of variation-concepts-across different tasks, architectures, and datasets. We show that USAEs discover semantically coherent and important universal concepts across vision models; ranging from low-level features (e.g., colors and textures) to higher-level structures (e.g., parts and objects). Overall, USAEs provide a powerful new method for interpretable cross-model analysis and offers novel applications, such as coordinated activation maximization, that open avenues for deeper insights in multi-model AI systems

Accurate weather forecasts are important for disaster prevention, agricultural planning, etc. Traditional numerical weather prediction (NWP) methods offer physically interpretable high-accuracy predictions but are computationally expensive and fail to fully leverage rapidly growing historical data. In recent years, deep learning models have made significant progress in weather forecasting, but challenges remain, such as balancing global and regional high-resolution forecasts, excessive smoothing in extreme event predictions, and insufficient dynamic system modeling. To address these issues, this paper proposes a global-regional nested weather forecasting framework (OneForecast) based on graph neural networks. By combining a dynamic system perspective with multi-grid theory, we construct a multi-scale graph structure and densify the target region to capture local high-frequency features. We introduce an adaptive messaging mechanism, using dynamic gating units to deeply integrate node and edge features for more accurate extreme event forecasting. For high-resolution regional forecasts, we propose a neural nested grid method to mitigate boundary information loss. Experimental results show that OneForecast performs excellently across global to regional scales and short-term to long-term forecasts, especially in extreme event predictions. Codes link https://github.com/YuanGao-YG/OneForecast.

A challenging problem in many modern machine learning tasks is to process weight-space features, i.e., to transform or extract information from the weights and gradients of a neural network. Recent works have developed promising weight-space models that are equivariant to the permutation symmetries of simple feedforward networks. However, they are not applicable to general architectures, since the permutation symmetries of a weight space can be complicated by recurrence or residual connections. This work proposes an algorithm that automatically constructs permutation equivariant models, which we refer to as universal neural functionals (UNFs), for any weight space. Among other applications, we demonstrate how UNFs can be substituted into existing learned optimizer designs, and find promising improvements over prior methods when optimizing small image classifiers and language models. Our results suggest that learned optimizers can benefit from considering the (symmetry) structure of the weight space they optimize. We open-source our library for constructing UNFs at https://github.com/AllanYangZhou/universal_neural_functional.

Removing background noise from speech audio has been the subject of considerable effort, especially in recent years due to the rise of virtual communication and amateur recordings. Yet background noise is not the only unpleasant disturbance that can prevent intelligibility: reverb, clipping, codec artifacts, problematic equalization, limited bandwidth, or inconsistent loudness are equally disturbing and ubiquitous. In this work, we propose to consider the task of speech enhancement as a holistic endeavor, and present a universal speech enhancement system that tackles 55 different distortions at the same time. Our approach consists of a generative model that employs score-based diffusion, together with a multi-resolution conditioning network that performs enhancement with mixture density networks. We show that this approach significantly outperforms the state of the art in a subjective test performed by expert listeners. We also show that it achieves competitive objective scores with just 4-8 diffusion steps, despite not considering any particular strategy for fast sampling. We hope that both our methodology and technical contributions encourage researchers and practitioners to adopt a universal approach to speech enhancement, possibly framing it as a generative task.

Few-shot NER needs to effectively capture information from limited instances and transfer useful knowledge from external resources. In this paper, we propose a self-describing mechanism for few-shot NER, which can effectively leverage illustrative instances and precisely transfer knowledge from external resources by describing both entity types and mentions using a universal concept set. Specifically, we design Self-describing Networks (SDNet), a Seq2Seq generation model which can universally describe mentions using concepts, automatically map novel entity types to concepts, and adaptively recognize entities on-demand. We pre-train SDNet with large-scale corpus, and conduct experiments on 8 benchmarks from different domains. Experiments show that SDNet achieves competitive performances on all benchmarks and achieves the new state-of-the-art on 6 benchmarks, which demonstrates its effectiveness and robustness.

The advancement of object detection (OD) in open-vocabulary and open-world scenarios is a critical challenge in computer vision. This work introduces OmDet, a novel language-aware object detection architecture, and an innovative training mechanism that harnesses continual learning and multi-dataset vision-language pre-training. Leveraging natural language as a universal knowledge representation, OmDet accumulates a "visual vocabulary" from diverse datasets, unifying the task as a language-conditioned detection framework. Our multimodal detection network (MDN) overcomes the challenges of multi-dataset joint training and generalizes to numerous training datasets without manual label taxonomy merging. We demonstrate superior performance of OmDet over strong baselines in object detection in the wild, open-vocabulary detection, and phrase grounding, achieving state-of-the-art results. Ablation studies reveal the impact of scaling the pre-training visual vocabulary, indicating a promising direction for further expansion to larger datasets. The effectiveness of our deep fusion approach is underscored by its ability to learn jointly from multiple datasets, enhancing performance through knowledge sharing.

Universal speech enhancement aims at handling inputs with various speech distortions and recording conditions. In this work, we propose a novel hybrid architecture that synergizes the signal fidelity of discriminative modeling with the reconstruction capabilities of generative modeling. Our system utilizes the discriminative TF-GridNet model with the Sampling-Frequency-Independent strategy to handle variable sampling rates universally. In parallel, an autoregressive model combined with spectral mapping modeling generates detail-rich speech while effectively suppressing generative artifacts. Finally, a fusion network learns adaptive weights of the two outputs under the optimization of signal-level losses and the comprehensive Speech Quality Assessment (SQA) loss. Our proposed system is evaluated in the ICASSP 2026 URGENT Challenge (Track 1) and ranks the third place.

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional architectures in a causal multi-headed graph mechanism, to realize a generative pretrained model. The model is applied to predict secondary structure content (per-residue level and overall content), protein solubility, and sequencing tasks. Further trained on inverse tasks, the model is rendered capable of designing proteins with these properties as target features. The model is formulated as a general framework, completely prompt-based, and can be adapted for a variety of downstream tasks. We find that adding additional tasks yields emergent synergies that the model exploits in improving overall performance, beyond what would be possible by training a model on each dataset alone. Case studies are presented to validate the method, yielding protein designs specifically focused on structural proteins, but also exploring the applicability in the design of soluble, antimicrobial biomaterials. While our model is trained to ultimately perform 8 distinct tasks, with available datasets it can be extended to solve additional problems. In a broader sense, this work illustrates a form of multiscale modeling that relates a set of ultimate building blocks (here, byte-level utf8 characters) to complex output. This materiomic scheme captures complex emergent relationships between universal building block and resulting properties via a synergizing learning capacity to express a set of potentialities embedded in the knowledge used in training, via the interplay of universality and diversity.

Sound separation (SS) and target sound extraction (TSE) are fundamental techniques for addressing complex acoustic scenarios. While existing SS methods struggle with determining the unknown number of sound sources, TSE approaches require precisely specified clues to achieve optimal performance. This paper proposes a unified framework that synergistically combines SS and TSE to overcome their individual limitations. Our architecture employs two complementary components: 1) An Encoder-Decoder Attractor (EDA) network that automatically infers both the source count and corresponding acoustic clues for SS, and 2) A multi-modal fusion network that precisely interprets diverse user-provided clues (acoustic, semantic, or visual) for TSE. Through joint training with cross-task consistency constraints, we establish a unified latent space that bridges both paradigms. During inference, the system adaptively operates in either fully autonomous SS mode or clue-driven TSE mode. Experiments demonstrate remarkable performance in both tasks, with notable improvements of 1.4 dB SDR improvement in SS compared to baseline and 86\% TSE accuracy.

Encrypted traffic classification (TC) methods must adapt to new protocols and extensions as well as to advancements in other machine learning fields. In this paper, we follow a transfer learning setup best known from computer vision. We first pretrain an embedding model on a complex task with a large number of classes and then transfer it to five well-known TC datasets. The pretraining task is recognition of SNI domains in encrypted QUIC traffic, which in itself is a problem for network monitoring due to the growing adoption of TLS Encrypted Client Hello. Our training pipeline -- featuring a disjoint class setup, ArcFace loss function, and a modern deep learning architecture -- aims to produce universal embeddings applicable across tasks. The proposed solution, based on nearest neighbors search in the embedding space, surpasses SOTA performance on four of the five TC datasets. A comparison with a baseline method utilizing raw packet sequences revealed unexpected findings with potential implications for the broader TC field. We published the model architecture, trained weights, and transfer learning experiments.

Natural image matting aims to estimate the alpha matte of the foreground from a given image. Various approaches have been explored to address this problem, such as interactive matting methods that use guidance such as click or trimap, and automatic matting methods tailored to specific objects. However, existing matting methods are designed for specific objects or guidance, neglecting the common requirement of aggregating global and local contexts in image matting. As a result, these methods often encounter challenges in accurately identifying the foreground and generating precise boundaries, which limits their effectiveness in unforeseen scenarios. In this paper, we propose a simple and universal matting framework, named Dual-Context Aggregation Matting (DCAM), which enables robust image matting with arbitrary guidance or without guidance. Specifically, DCAM first adopts a semantic backbone network to extract low-level features and context features from the input image and guidance. Then, we introduce a dual-context aggregation network that incorporates global object aggregators and local appearance aggregators to iteratively refine the extracted context features. By performing both global contour segmentation and local boundary refinement, DCAM exhibits robustness to diverse types of guidance and objects. Finally, we adopt a matting decoder network to fuse the low-level features and the refined context features for alpha matte estimation. Experimental results on five matting datasets demonstrate that the proposed DCAM outperforms state-of-the-art matting methods in both automatic matting and interactive matting tasks, which highlights the strong universality and high performance of DCAM. The source code is available at https://github.com/Windaway/DCAM.

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.

Recently, open-vocabulary learning has emerged to accomplish segmentation for arbitrary categories of text-based descriptions, which popularizes the segmentation system to more general-purpose application scenarios. However, existing methods devote to designing specialized architectures or parameters for specific segmentation tasks. These customized design paradigms lead to fragmentation between various segmentation tasks, thus hindering the uniformity of segmentation models. Hence in this paper, we propose FreeSeg, a generic framework to accomplish Unified, Universal and Open-Vocabulary Image Segmentation. FreeSeg optimizes an all-in-one network via one-shot training and employs the same architecture and parameters to handle diverse segmentation tasks seamlessly in the inference procedure. Additionally, adaptive prompt learning facilitates the unified model to capture task-aware and category-sensitive concepts, improving model robustness in multi-task and varied scenarios. Extensive experimental results demonstrate that FreeSeg establishes new state-of-the-art results in performance and generalization on three segmentation tasks, which outperforms the best task-specific architectures by a large margin: 5.5% mIoU on semantic segmentation, 17.6% mAP on instance segmentation, 20.1% PQ on panoptic segmentation for the unseen class on COCO.

The security context used in 5G authentication is generated during the Authentication and Key Agreement (AKA) procedure and stored in both the user equipment (UE) and the network sides for the subsequent fast registration procedure. Given its importance, it is imperative to formally analyze the security mechanism of the security context. The security context in the UE can be stored in the Universal Subscriber Identity Module (USIM) card or in the baseband chip. In this work, we present a comprehensive and formal verification of the fast registration procedure based on the security context under the two scenarios in ProVerif. Our analysis identifies two vulnerabilities, including one that has not been reported before. Specifically, the security context stored in the USIM card can be read illegally, and the validity checking mechanism of the security context in the baseband chip can be bypassed. Moreover, these vulnerabilities also apply to 4G networks. As a consequence, an attacker can exploit these vulnerabilities to register to the network with the victim's identity and then launch other attacks, including one-tap authentication bypass leading to privacy disclosure, location spoofing, etc. To ensure that these attacks are indeed realizable in practice, we have responsibly confirmed them through experimentation in three operators. Our analysis reveals that these vulnerabilities stem from design flaws of the standard and unsafe practices by operators. We finally propose several potential countermeasures to prevent these attacks. We have reported our findings to the GSMA and received a coordinated vulnerability disclosure (CVD) number CVD-2022-0057.

How do humans learn language, and can the first language be learned at all? These fundamental questions are still hotly debated. In contemporary linguistics, there are two major schools of thought that give completely opposite answers. According to Chomsky's theory of universal grammar, language cannot be learned because children are not exposed to sufficient data in their linguistic environment. In contrast, usage-based models of language assume a profound relationship between language structure and language use. In particular, contextual mental processing and mental representations are assumed to have the cognitive capacity to capture the complexity of actual language use at all levels. The prime example is syntax, i.e., the rules by which words are assembled into larger units such as sentences. Typically, syntactic rules are expressed as sequences of word classes. However, it remains unclear whether word classes are innate, as implied by universal grammar, or whether they emerge during language acquisition, as suggested by usage-based approaches. Here, we address this issue from a machine learning and natural language processing perspective. In particular, we trained an artificial deep neural network on predicting the next word, provided sequences of consecutive words as input. Subsequently, we analyzed the emerging activation patterns in the hidden layers of the neural network. Strikingly, we find that the internal representations of nine-word input sequences cluster according to the word class of the tenth word to be predicted as output, even though the neural network did not receive any explicit information about syntactic rules or word classes during training. This surprising result suggests, that also in the human brain, abstract representational categories such as word classes may naturally emerge as a consequence of predictive coding and processing during language acquisition.

Photo-realistic style transfer aims at migrating the artistic style from an exemplar style image to a content image, producing a result image without spatial distortions or unrealistic artifacts. Impressive results have been achieved by recent deep models. However, deep neural network based methods are too expensive to run in real-time. Meanwhile, bilateral grid based methods are much faster but still contain artifacts like overexposure. In this work, we propose the Adaptive ColorMLP (AdaCM), an effective and efficient framework for universal photo-realistic style transfer. First, we find the complex non-linear color mapping between input and target domain can be efficiently modeled by a small multi-layer perceptron (ColorMLP) model. Then, in AdaCM, we adopt a CNN encoder to adaptively predict all parameters for the ColorMLP conditioned on each input content and style image pair. Experimental results demonstrate that AdaCM can generate vivid and high-quality stylization results. Meanwhile, our AdaCM is ultrafast and can process a 4K resolution image in 6ms on one V100 GPU.

Recent approaches to multi-task learning (MTL) have focused on modelling connections between tasks at the decoder level. This leads to a tight coupling between tasks, which need retraining if a new task is inserted or removed. We argue that MTL is a stepping stone towards universal feature learning (UFL), which is the ability to learn generic features that can be applied to new tasks without retraining. We propose Medusa to realize this goal, designing task heads with dual attention mechanisms. The shared feature attention masks relevant backbone features for each task, allowing it to learn a generic representation. Meanwhile, a novel Multi-Scale Attention head allows the network to better combine per-task features from different scales when making the final prediction. We show the effectiveness of Medusa in UFL (+13.18% improvement), while maintaining MTL performance and being 25% more efficient than previous approaches.

One of the most common and universal problems in science is to investigate a function. The prediction can be made by an Artificial Neural Network (ANN) or a mathematical model. Both approaches have their advantages and disadvantages. Mathematical models were sought as more trustworthy as their prediction is based on the laws of physics expressed in the form of mathematical equations. However, the majority of existing mathematical models include different empirical parameters, and both approaches inherit inevitable experimental errors. At the same time, the approximation of neural networks can reproduce the solution extremely well if fed with a sufficient amount of data. The difference is that an ANN requires big data to build its accurate approximation whereas a typical mathematical model needs just several data points to estimate an empirical constant. Therefore, the common problem that developer meet is the inaccuracy of mathematical models and artificial neural network. An another common challenge is the computational complexity of the mathematical models, or lack of data for a sufficient precision of the Artificial Neural Networks. In the presented paper those problems are addressed using the integration of a mathematical model with an artificial neural network. In the presented analysis, an ANN predicts just a part of the mathematical model and its weights and biases are adjusted based on the output of the mathematical model. The performance of Integrated Mathematical modeling - Artificial Neural Network (IMANN) is compared to a Dense Neural Network (DNN) with the use of the benchmarking functions. The obtained calculation results indicate that such an approach could lead to an increase of precision as well as limiting the data-set required for learning.

Machine learning models, particularly deep neural networks, have demonstrated strong performance in classifying complex time series data. However, their black-box nature limits trust and adoption, especially in high-stakes domains such as healthcare. To address this challenge, we introduce UniCoMTE, a model-agnostic framework for generating counterfactual explanations for multivariate time series classifiers. The framework identifies temporal features that most heavily influence a model's prediction by modifying the input sample and assessing its impact on the model's prediction. UniCoMTE is compatible with a wide range of model architectures and operates directly on raw time series inputs. In this study, we evaluate UniCoMTE's explanations on a time series ECG classifier. We quantify explanation quality by comparing our explanations' comprehensibility to comprehensibility of established techniques (LIME and SHAP) and assessing their generalizability to similar samples. Furthermore, clinical utility is assessed through a questionnaire completed by medical experts who review counterfactual explanations presented alongside original ECG samples. Results show that our approach produces concise, stable, and human-aligned explanations that outperform existing methods in both clarity and applicability. By linking model predictions to meaningful signal patterns, the framework advances the interpretability of deep learning models for real-world time series applications.

Designing neural networks typically relies on manual trial and error or a neural architecture search (NAS) followed by weight training. The former is time-consuming and labor-intensive, while the latter often discretizes architecture search and weight optimization. In this paper, we propose a fundamentally different approach that simultaneously optimizes both the architecture and the weights of a neural network. Our framework first trains a universal multi-scale autoencoder that embeds both architectural and parametric information into a continuous latent space, where functionally similar neural networks are mapped closer together. Given a dataset, we then randomly initialize a point in the embedding space and update it via gradient descent to obtain the optimal neural network, jointly optimizing its structure and weights. The optimization process incorporates sparsity and compactness penalties to promote efficient models. Experiments on synthetic regression tasks demonstrate that our method effectively discovers sparse and compact neural networks with strong performance.

Research on adversarial robustness is primarily focused on image and text data. Yet, many scenarios in which lack of robustness can result in serious risks, such as fraud detection, medical diagnosis, or recommender systems often do not rely on images or text but instead on tabular data. Adversarial robustness in tabular data poses two serious challenges. First, tabular datasets often contain categorical features, and therefore cannot be tackled directly with existing optimization procedures. Second, in the tabular domain, algorithms that are not based on deep networks are widely used and offer great performance, but algorithms to enhance robustness are tailored to neural networks (e.g. adversarial training). In this paper, we tackle both challenges. We present a method that allows us to train adversarially robust deep networks for tabular data and to transfer this robustness to other classifiers via universal robust embeddings tailored to categorical data. These embeddings, created using a bilevel alternating minimization framework, can be transferred to boosted trees or random forests making them robust without the need for adversarial training while preserving their high accuracy on tabular data. We show that our methods outperform existing techniques within a practical threat model suitable for tabular data.

Why do brains have inhibitory connections? Why do deep networks have negative weights? We propose an answer from the perspective of representation capacity. We believe representing functions is the primary role of both (i) the brain in natural intelligence, and (ii) deep networks in artificial intelligence. Our answer to why there are inhibitory/negative weights is: to learn more functions. We prove that, in the absence of negative weights, neural networks with non-decreasing activation functions are not universal approximators. While this may be an intuitive result to some, to the best of our knowledge, there is no formal theory, in either machine learning or neuroscience, that demonstrates why negative weights are crucial in the context of representation capacity. Further, we provide insights on the geometric properties of the representation space that non-negative deep networks cannot represent. We expect these insights will yield a deeper understanding of more sophisticated inductive priors imposed on the distribution of weights that lead to more efficient biological and machine learning.

Convolutional neural networks (CNNs) have been successfully applied to many recognition and learning tasks using a universal recipe; training a deep model on a very large dataset of supervised examples. However, this approach is rather restrictive in practice since collecting a large set of labeled images is very expensive. One way to ease this problem is coming up with smart ways for choosing images to be labelled from a very large collection (ie. active learning). Our empirical study suggests that many of the active learning heuristics in the literature are not effective when applied to CNNs in batch setting. Inspired by these limitations, we define the problem of active learning as core-set selection, ie. choosing set of points such that a model learned over the selected subset is competitive for the remaining data points. We further present a theoretical result characterizing the performance of any selected subset using the geometry of the datapoints. As an active learning algorithm, we choose the subset which is expected to yield best result according to our characterization. Our experiments show that the proposed method significantly outperforms existing approaches in image classification experiments by a large margin.

Image matching, which aims to identify corresponding pixel locations between images, is crucial in a wide range of scientific disciplines, aiding in image registration, fusion, and analysis. In recent years, deep learning-based image matching algorithms have dramatically outperformed humans in rapidly and accurately finding large amounts of correspondences. However, when dealing with images captured under different imaging modalities that result in significant appearance changes, the performance of these algorithms often deteriorates due to the scarcity of annotated cross-modal training data. This limitation hinders applications in various fields that rely on multiple image modalities to obtain complementary information. To address this challenge, we propose a large-scale pre-training framework that utilizes synthetic cross-modal training signals, incorporating diverse data from various sources, to train models to recognize and match fundamental structures across images. This capability is transferable to real-world, unseen cross-modality image matching tasks. Our key finding is that the matching model trained with our framework achieves remarkable generalizability across more than eight unseen cross-modality registration tasks using the same network weight, substantially outperforming existing methods, whether designed for generalization or tailored for specific tasks. This advancement significantly enhances the applicability of image matching technologies across various scientific disciplines and paves the way for new applications in multi-modality human and artificial intelligence analysis and beyond.

Prior methods propose to offset the escalating costs of modern foundation models by dropping specific parts of their contexts with hand-designed rules, while attempting to preserve their original performance. We overcome this trade-off with Neural Attention Memory Models (NAMMs), introducing a learned network for memory management that improves both the performance and efficiency of transformers. We evolve NAMMs atop pre-trained transformers to provide different latent contexts focusing on the most relevant information for individual layers and attention heads.NAMMs are universally applicable to any model using self-attention as they condition exclusively on the values in the produced attention matrices. Learning NAMMs on a small set of problems, we achieve substantial performance improvements across multiple long-context benchmarks while cutting the model's input contexts up to a fraction of the original sizes. We show the generality of our conditioning enables zero-shot transfer of NAMMs trained only on language to entirely new transformer architectures even across input modalities, with their benefits carrying over to vision and reinforcement learning.

We present the latest generation of MobileNets, known as MobileNetV4 (MNv4), featuring universally efficient architecture designs for mobile devices. At its core, we introduce the Universal Inverted Bottleneck (UIB) search block, a unified and flexible structure that merges Inverted Bottleneck (IB), ConvNext, Feed Forward Network (FFN), and a novel Extra Depthwise (ExtraDW) variant. Alongside UIB, we present Mobile MQA, an attention block tailored for mobile accelerators, delivering a significant 39% speedup. An optimized neural architecture search (NAS) recipe is also introduced which improves MNv4 search effectiveness. The integration of UIB, Mobile MQA and the refined NAS recipe results in a new suite of MNv4 models that are mostly Pareto optimal across mobile CPUs, DSPs, GPUs, as well as specialized accelerators like Apple Neural Engine and Google Pixel EdgeTPU - a characteristic not found in any other models tested. Finally, to further boost accuracy, we introduce a novel distillation technique. Enhanced by this technique, our MNv4-Hybrid-Large model delivers 87% ImageNet-1K accuracy, with a Pixel 8 EdgeTPU runtime of just 3.8ms.

In this paper, we delve into the foundational principles of tensor categories, harnessing the universal property of the tensor product to pioneer novel methodologies in deep network architectures. Our primary contribution is the introduction of the Tensor Attention and Tensor Interaction Mechanism, a groundbreaking approach that leverages the tensor category to enhance the computational efficiency and the expressiveness of deep networks, and can even be generalized into the quantum realm.

Molecular dynamics (MD) simulations are essential tools for unraveling atomistic insights into the structure and dynamics of condensed-phase systems. However, the universal and accurate prediction of macroscopic properties from ab initio calculations remains a significant challenge, often hindered by the trade-off between computational cost and simulation accuracy. Here, we present ByteFF-Pol, a graph neural network (GNN)-parameterized polarizable force field, trained exclusively on high-level quantum mechanics (QM) data. Leveraging physically-motivated force field forms and training strategies, ByteFF-Pol exhibits exceptional performance in predicting thermodynamic and transport properties for a wide range of small-molecule liquids and electrolytes, outperforming state-of-the-art (SOTA) classical and machine learning force fields. The zero-shot prediction capability of ByteFF-Pol bridges the gap between microscopic QM calculations and macroscopic liquid properties, enabling the exploration of previously intractable chemical spaces. This advancement holds transformative potential for applications such as electrolyte design and custom-tailored solvent, representing a pivotal step toward data-driven materials discovery.

We introduce Orb, a family of universal interatomic potentials for atomistic modelling of materials. Orb models are 3-6 times faster than existing universal potentials, stable under simulation for a range of out of distribution materials and, upon release, represented a 31% reduction in error over other methods on the Matbench Discovery benchmark. We explore several aspects of foundation model development for materials, with a focus on diffusion pretraining. We evaluate Orb as a model for geometry optimization, Monte Carlo and molecular dynamics simulations.

Achieving a balance between computational speed, prediction accuracy, and universal applicability in molecular simulations has been a persistent challenge. This paper presents substantial advancements in the TorchMD-Net software, a pivotal step forward in the shift from conventional force fields to neural network-based potentials. The evolution of TorchMD-Net into a more comprehensive and versatile framework is highlighted, incorporating cutting-edge architectures such as TensorNet. This transformation is achieved through a modular design approach, encouraging customized applications within the scientific community. The most notable enhancement is a significant improvement in computational efficiency, achieving a very remarkable acceleration in the computation of energy and forces for TensorNet models, with performance gains ranging from 2-fold to 10-fold over previous iterations. Other enhancements include highly optimized neighbor search algorithms that support periodic boundary conditions and the smooth integration with existing molecular dynamics frameworks. Additionally, the updated version introduces the capability to integrate physical priors, further enriching its application spectrum and utility in research. The software is available at https://github.com/torchmd/torchmd-net.

Multi-agent reinforcement learning shines as the pinnacle of multi-agent systems, conquering intricate real-world challenges, fostering collaboration and coordination among agents, and unleashing the potential for intelligent decision-making across domains. However, training a multi-agent reinforcement learning network is a formidable endeavor, demanding substantial computational resources to interact with diverse environmental variables, extract state representations, and acquire decision-making knowledge. The recent breakthroughs in large-scale pre-trained models ignite our curiosity: Can we uncover shared knowledge in multi-agent reinforcement learning and leverage pre-trained models to expedite training for future tasks? Addressing this issue, we present an innovative multi-task learning approach that aims to extract and harness common decision-making knowledge, like cooperation and competition, across different tasks. Our approach involves concurrent training of multiple multi-agent tasks, with each task employing independent front-end perception layers while sharing back-end decision-making layers. This effective decoupling of state representation extraction from decision-making allows for more efficient training and better transferability. To evaluate the efficacy of our proposed approach, we conduct comprehensive experiments in two distinct environments: the StarCraft Multi-agent Challenge (SMAC) and the Google Research Football (GRF) environments. The experimental results unequivocally demonstrate the smooth transferability of the shared decision-making network to other tasks, thereby significantly reducing training costs and improving final performance. Furthermore, visualizations authenticate the presence of general multi-agent decision-making knowledge within the shared network layers, further validating the effectiveness of our approach.

With generative models proliferating at a rapid rate, there is a growing need for general purpose fake image detectors. In this work, we first show that the existing paradigm, which consists of training a deep network for real-vs-fake classification, fails to detect fake images from newer breeds of generative models when trained to detect GAN fake images. Upon analysis, we find that the resulting classifier is asymmetrically tuned to detect patterns that make an image fake. The real class becomes a sink class holding anything that is not fake, including generated images from models not accessible during training. Building upon this discovery, we propose to perform real-vs-fake classification without learning; i.e., using a feature space not explicitly trained to distinguish real from fake images. We use nearest neighbor and linear probing as instantiations of this idea. When given access to the feature space of a large pretrained vision-language model, the very simple baseline of nearest neighbor classification has surprisingly good generalization ability in detecting fake images from a wide variety of generative models; e.g., it improves upon the SoTA by +15.07 mAP and +25.90% acc when tested on unseen diffusion and autoregressive models.

Although automatic shot transition detection approaches are already investigated for more than two decades, an effective universal human-level model was not proposed yet. Even for common shot transitions like hard cuts or simple gradual changes, the potential diversity of analyzed video contents may still lead to both false hits and false dismissals. Recently, deep learning-based approaches significantly improved the accuracy of shot transition detection using 3D convolutional architectures and artificially created training data. Nevertheless, one hundred percent accuracy is still an unreachable ideal. In this paper, we share the current version of our deep network TransNet V2 that reaches state-of-the-art performance on respected benchmarks. A trained instance of the model is provided so it can be instantly utilized by the community for a highly efficient analysis of large video archives. Furthermore, the network architecture, as well as our experience with the training process, are detailed, including simple code snippets for convenient usage of the proposed model and visualization of results.

Deploying deep learning models on mobile devices draws more and more attention recently. However, designing an efficient inference engine on devices is under the great challenges of model compatibility, device diversity, and resource limitation. To deal with these challenges, we propose Mobile Neural Network (MNN), a universal and efficient inference engine tailored to mobile applications. In this paper, the contributions of MNN include: (1) presenting a mechanism called pre-inference that manages to conduct runtime optimization; (2)deliveringthorough kernel optimization on operators to achieve optimal computation performance; (3) introducing backend abstraction module which enables hybrid scheduling and keeps the engine lightweight. Extensive benchmark experiments demonstrate that MNN performs favorably against other popular lightweight deep learning frameworks. MNN is available to public at: https://github.com/alibaba/MNN.

Despite increasing efforts on universal representations for visual recognition, few have addressed object detection. In this paper, we develop an effective and efficient universal object detection system that is capable of working on various image domains, from human faces and traffic signs to medical CT images. Unlike multi-domain models, this universal model does not require prior knowledge of the domain of interest. This is achieved by the introduction of a new family of adaptation layers, based on the principles of squeeze and excitation, and a new domain-attention mechanism. In the proposed universal detector, all parameters and computations are shared across domains, and a single network processes all domains all the time. Experiments, on a newly established universal object detection benchmark of 11 diverse datasets, show that the proposed detector outperforms a bank of individual detectors, a multi-domain detector, and a baseline universal detector, with a 1.3x parameter increase over a single-domain baseline detector. The code and benchmark will be released at http://www.svcl.ucsd.edu/projects/universal-detection/.

While deep learning models have become the predominant method for medical image segmentation, they are typically not capable of generalizing to unseen segmentation tasks involving new anatomies, image modalities, or labels. Given a new segmentation task, researchers generally have to train or fine-tune models, which is time-consuming and poses a substantial barrier for clinical researchers, who often lack the resources and expertise to train neural networks. We present UniverSeg, a method for solving unseen medical segmentation tasks without additional training. Given a query image and example set of image-label pairs that define a new segmentation task, UniverSeg employs a new Cross-Block mechanism to produce accurate segmentation maps without the need for additional training. To achieve generalization to new tasks, we have gathered and standardized a collection of 53 open-access medical segmentation datasets with over 22,000 scans, which we refer to as MegaMedical. We used this collection to train UniverSeg on a diverse set of anatomies and imaging modalities. We demonstrate that UniverSeg substantially outperforms several related methods on unseen tasks, and thoroughly analyze and draw insights about important aspects of the proposed system. The UniverSeg source code and model weights are freely available at https://universeg.csail.mit.edu

We present TensorCircuit-NG, a next-generation quantum software platform designed to bridge the gap between quantum physics, artificial intelligence, and high-performance computing. Moving beyond the scope of traditional circuit simulators, TensorCircuit-NG establishes a unified, tensor-native programming paradigm where quantum circuits, tensor networks, and neural networks fuse into a single, end-to-end differentiable computational graph. Built upon industry-standard machine learning backends (JAX, TensorFlow, PyTorch), the framework introduces comprehensive capabilities for approximate circuit simulation, analog dynamics, fermion Gaussian states, qudit systems, and scalable noise modeling. To tackle the exponential complexity of deep quantum circuits, TensorCircuit-NG implements advanced distributed computing strategies, including automated data parallelism and model-parallel tensor network slicing. We validate these capabilities on GPU clusters, demonstrating a near-linear speedup in distributed variational quantum algorithms. TensorCircuit-NG enables flagship applications, including end-to-end QML for CIFAR-100 computer vision, efficient pipelines from quantum states to neural networks via classical shadows, and differentiable optimization of tensor network states for many-body physics.

The lottery ticket hypothesis conjectures the existence of sparse subnetworks of large randomly initialized deep neural networks that can be successfully trained in isolation. Recent work has experimentally observed that some of these tickets can be practically reused across a variety of tasks, hinting at some form of universality. We formalize this concept and theoretically prove that not only do such universal tickets exist but they also do not require further training. Our proofs introduce a couple of technical innovations related to pruning for strong lottery tickets, including extensions of subset sum results and a strategy to leverage higher amounts of depth. Our explicit sparse constructions of universal function families might be of independent interest, as they highlight representational benefits induced by univariate convolutional architectures.

Spiking neural networks (SNNs) have shown their competence in handling spatial-temporal event-based data with low energy consumption. Similar to conventional artificial neural networks (ANNs), SNNs are also vulnerable to gradient-based adversarial attacks, wherein gradients are calculated by spatial-temporal back-propagation (STBP) and surrogate gradients (SGs). However, the SGs may be invisible for an inference-only model as they do not influence the inference results, and current gradient-based attacks are ineffective for binary dynamic images captured by the dynamic vision sensor (DVS). While some approaches addressed the issue of invisible SGs through universal SGs, their SGs lack a correlation with the victim model, resulting in sub-optimal performance. Moreover, the imperceptibility of existing SNN-based binary attacks is still insufficient. In this paper, we introduce an innovative potential-dependent surrogate gradient (PDSG) method to establish a robust connection between the SG and the model, thereby enhancing the adaptability of adversarial attacks across various models with invisible SGs. Additionally, we propose the sparse dynamic attack (SDA) to effectively attack binary dynamic images. Utilizing a generation-reduction paradigm, SDA can fully optimize the sparsity of adversarial perturbations. Experimental results demonstrate that our PDSG and SDA outperform state-of-the-art SNN-based attacks across various models and datasets. Specifically, our PDSG achieves 100% attack success rate on ImageNet, and our SDA obtains 82% attack success rate by modifying only 0.24% of the pixels on CIFAR10DVS. The code is available at https://github.com/ryime/PDSG-SDA .

Ever since the Multilayered Perceptron was first introduced the connectionist community has struggled with the concept of uncertainty and how this could be represented in these types of models. This past decade has seen a lot of effort in trying to join the principled approach of probabilistic modeling with the scalable nature of deep neural networks. While the theoretical benefits of this consolidation are clear, there are also several important practical aspects of these endeavors; namely to force the models we create to represent, learn, and report uncertainty in every prediction that is made. Many of these efforts have been based on extending existing frameworks with additional structures. We present Borch, a scalable deep universal probabilistic programming language, built on top of PyTorch. The code is available for download and use in our repository https://gitlab.com/desupervised/borch.

Generating identity-preserving faces aims to generate various face images keeping the same identity given a target face image. Although considerable generative models have been developed in recent years, it is still challenging to simultaneously acquire high quality of facial images and preserve the identity. Here we propose a compelling method using generative adversarial networks (GAN). Concretely, we leverage the generator of trained GAN to generate plausible faces and FaceNet as an identity-similarity discriminator to ensure the identity. Experimental results show that our method is qualified to generate both plausible and identity-preserving faces with high quality. In addition, our method provides a universal framework which can be realized in various ways by combining different face generators and identity-similarity discriminator.

Modern deep neural networks, particularly recent large language models, come with massive model sizes that require significant computational and storage resources. To enable the deployment of modern models on resource-constrained environments and accelerate inference time, researchers have increasingly explored pruning techniques as a popular research direction in neural network compression. However, there is a dearth of up-to-date comprehensive review papers on pruning. To address this issue, in this survey, we provide a comprehensive review of existing research works on deep neural network pruning in a taxonomy of 1) universal/specific speedup, 2) when to prune, 3) how to prune, and 4) fusion of pruning and other compression techniques. We then provide a thorough comparative analysis of seven pairs of contrast settings for pruning (e.g., unstructured/structured) and explore emerging topics, including post-training pruning, different levels of supervision for pruning, and broader applications (e.g., adversarial robustness) to shed light on the commonalities and differences of existing methods and lay the foundation for further method development. To facilitate future research, we build a curated collection of datasets, networks, and evaluations on different applications. Finally, we provide some valuable recommendations on selecting pruning methods and prospect promising research directions. We build a repository at https://github.com/hrcheng1066/awesome-pruning.

Observing the close relationship among panoptic, semantic and instance segmentation tasks, we propose to train a universal multi-dataset multi-task segmentation model: DaTaSeg.We use a shared representation (mask proposals with class predictions) for all tasks. To tackle task discrepancy, we adopt different merge operations and post-processing for different tasks. We also leverage weak-supervision, allowing our segmentation model to benefit from cheaper bounding box annotations. To share knowledge across datasets, we use text embeddings from the same semantic embedding space as classifiers and share all network parameters among datasets. We train DaTaSeg on ADE semantic, COCO panoptic, and Objects365 detection datasets. DaTaSeg improves performance on all datasets, especially small-scale datasets, achieving 54.0 mIoU on ADE semantic and 53.5 PQ on COCO panoptic. DaTaSeg also enables weakly-supervised knowledge transfer on ADE panoptic and Objects365 instance segmentation. Experiments show DaTaSeg scales with the number of training datasets and enables open-vocabulary segmentation through direct transfer. In addition, we annotate an Objects365 instance segmentation set of 1,000 images and will release it as a public benchmark.

The research in the field of adversarial attacks and models' vulnerability is one of the fundamental directions in modern machine learning. Recent studies reveal the vulnerability phenomenon, and understanding the mechanisms behind this is essential for improving neural network characteristics and interpretability. In this paper, we propose a novel sparse universal white-box adversarial attack. Our approach is based on truncated power iteration providing sparsity to (p,q)-singular vectors of the hidden layers of Jacobian matrices. Using the ImageNet benchmark validation subset, we analyze the proposed method in various settings, achieving results comparable to dense baselines with more than a 50% fooling rate while damaging only 5% of pixels and utilizing 256 samples for perturbation fitting. We also show that our algorithm admits higher attack magnitude without affecting the human ability to solve the task. Furthermore, we investigate that the constructed perturbations are highly transferable among different models without significantly decreasing the fooling rate. Our findings demonstrate the vulnerability of state-of-the-art models to sparse attacks and highlight the importance of developing robust machine learning systems.

Text-to-image diffusion models (SD) exhibit significant advancements while requiring extensive computational resources. Though many acceleration methods have been proposed, they suffer from generation quality degradation or extra training cost generalizing to new fine-tuned models. To address these limitations, we propose a novel and universal Stable-Diffusion (SD) acceleration module called SpeedUpNet(SUN). SUN can be directly plugged into various fine-tuned SD models without extra training. This technique utilizes cross-attention layers to learn the relative offsets in the generated image results between negative and positive prompts achieving classifier-free guidance distillation with negative prompts controllable, and introduces a Multi-Step Consistency (MSC) loss to ensure a harmonious balance between reducing inference steps and maintaining consistency in the generated output. Consequently, SUN significantly reduces the number of inference steps to just 4 steps and eliminates the need for classifier-free guidance. It leads to an overall speedup of more than 10 times for SD models compared to the state-of-the-art 25-step DPM-solver++, and offers two extra advantages: (1) classifier-free guidance distillation with controllable negative prompts and (2) seamless integration into various fine-tuned Stable-Diffusion models without training. The effectiveness of the SUN has been verified through extensive experimentation. Project Page: https://williechai.github.io/speedup-plugin-for-stable-diffusions.github.io