Daily Papers

We present an end-to-end pipeline for estimating stellar parameters from Sloan Digital Sky Survey Data Release 12 spectra using a fully connected multitask neural network with residual blocks, whose hyperparameters are tuned via Bayesian optimization. The preprocessing pipeline includes per-spectrum standardization, RobustScaler normalization of the target variables -- effective temperature T_{eff}, metallicity [Fe/H], and surface gravity log g -- and data augmentation via Gaussian noise injection. On a held-out test set, the model achieved Mean Absolute Errors (MAE) of 59.76~K for T_{eff}, 0.103~dex for [Fe/H], and 0.130~dex for log g. Normalized against the full-scale range of each parameter, these results represent range-normalized errors between 1% and 3%, achieved with a highly efficient model complexity of approximately 540,000 trainable parameters. These results demonstrate that a compact residual multitask architecture, combined with principled signal preprocessing, provides a parameter-efficient solution for nonlinear parameter estimation in large-scale spectral datasets. In particular, the proposed model achieves competitive performance with substantially lower complexity than deeper neural network baselines.

Current electroencephalogram (EEG) decoding models are typically trained on small numbers of subjects performing a single task. Here, we introduce a large-scale, code-submission-based competition comprising two challenges. First, the Transfer Challenge asks participants to build and test a model that can zero-shot decode new tasks and new subjects from their EEG data. Second, the Psychopathology factor prediction Challenge asks participants to infer subject measures of mental health from EEG data. For this, we use an unprecedented, multi-terabyte dataset of high-density EEG signals (128 channels) recorded from over 3,000 child to young adult subjects engaged in multiple active and passive tasks. We provide several tunable neural network baselines for each of these two challenges, including a simple network and demographic-based regression models. Developing models that generalise across tasks and individuals will pave the way for ML network architectures capable of adapting to EEG data collected from diverse tasks and individuals. Similarly, predicting mental health-relevant personality trait values from EEG might identify objective biomarkers useful for clinical diagnosis and design of personalised treatment for psychological conditions. Ultimately, the advances spurred by this challenge could contribute to the development of computational psychiatry and useful neurotechnology, and contribute to breakthroughs in both fundamental neuroscience and applied clinical research.

Automated affective computing in the wild setting is a challenging problem in computer vision. Existing annotated databases of facial expressions in the wild are small and mostly cover discrete emotions (aka the categorical model). There are very limited annotated facial databases for affective computing in the continuous dimensional model (e.g., valence and arousal). To meet this need, we collected, annotated, and prepared for public distribution a new database of facial emotions in the wild (called AffectNet). AffectNet contains more than 1,000,000 facial images from the Internet by querying three major search engines using 1250 emotion related keywords in six different languages. About half of the retrieved images were manually annotated for the presence of seven discrete facial expressions and the intensity of valence and arousal. AffectNet is by far the largest database of facial expression, valence, and arousal in the wild enabling research in automated facial expression recognition in two different emotion models. Two baseline deep neural networks are used to classify images in the categorical model and predict the intensity of valence and arousal. Various evaluation metrics show that our deep neural network baselines can perform better than conventional machine learning methods and off-the-shelf facial expression recognition systems.

Tabular data underpin prediction and decision-making in medicine, finance, government and science, but often contain sensitive individual-level information, creating a need for accurate prediction while preserving privacy. Traditional private learning provides formal privacy guarantees, but requires slow dataset-specific optimisation, suffers substantial utility loss under strong privacy, and is often difficult to apply correctly. Tabular foundation models adapt rapidly to new datasets, but existing models lack formal privacy guarantees, and are highly vulnerable to membership-inference attacks, limiting their use on sensitive data. Here we introduce PrivTab, an easy to use tabular foundation model for differentially private classification that embeds a privacy mechanism within its architecture. Pretrained on simulated datasets, PrivTab uses in-context learning to transform sensitive rows into compact, provably private summaries---effectively learning how to learn under privacy. PrivTab outperforms private linear and neural-network baselines under moderate-to-strong privacy, shows negligible membership leakage, maintains well-calibrated predictions under strong privacy, and reduces dataset fitting time by 10,000 times, requiring only a single forward pass. By combining formal privacy, speed, and easy of use, PrivTab brings recent advances in AI to applications where sensitive individual-level data have limited their adoption.

Autonomous robots deployed in the real world will need control policies that rapidly adapt to environmental changes. To this end, we propose AutoRobotics-Zero (ARZ), a method based on AutoML-Zero that discovers zero-shot adaptable policies from scratch. In contrast to neural network adaption policies, where only model parameters are optimized, ARZ can build control algorithms with the full expressive power of a linear register machine. We evolve modular policies that tune their model parameters and alter their inference algorithm on-the-fly to adapt to sudden environmental changes. We demonstrate our method on a realistic simulated quadruped robot, for which we evolve safe control policies that avoid falling when individual limbs suddenly break. This is a challenging task in which two popular neural network baselines fail. Finally, we conduct a detailed analysis of our method on a novel and challenging non-stationary control task dubbed Cataclysmic Cartpole. Results confirm our findings that ARZ is significantly more robust to sudden environmental changes and can build simple, interpretable control policies.

Humans' internal states play a key role in human-machine interaction, leading to the rise of human state estimation as a prominent field. Compared to swift state changes such as surprise and irritation, modeling gradual states like trust and satisfaction are further challenged by label sparsity: long time-series signals are usually associated with a single label, making it difficult to identify the critical span of state shifts. Windowing has been one widely-used technique to enable localized analysis of long time-series data. However, the performance of downstream models can be sensitive to the window size, and determining the optimal window size demands domain expertise and extensive search. To address this challenge, we propose a Selective Windowing Attention Network (SWAN), which employs window prompts and masked attention transformation to enable the selection of attended intervals with flexible lengths. We evaluate SWAN on the task of trust prediction on a new multimodal driving simulation dataset. Experiments show that SWAN significantly outperforms an existing empirical window selection baseline and neural network baselines including CNN-LSTM and Transformer. Furthermore, it shows robustness across a wide span of windowing ranges, compared to the traditional windowing approach.

The Helmholtz equation governs time-harmonic wave propagation, and in dissipative media a complex modulus renders its squared wavenumber κ^2 complex. Inferring such fields from sparse, noisy data calls for solvers that also quantify their own uncertainty. Physics-informed Gaussian-process (GP) regression supplies this by returning a posterior over the solution, yet operator-conditioned formulations have been developed almost exclusively for real-valued fields. We extend operator-informed GP regression to complex-valued Helmholtz problems by realifying the complex operator into an equivalent coupled real block, which enables inference with standard real-valued GP conditioning. The construction admits a family of priors, from a proper diagonal prior to coregionalized and multiscale variants, and conditions on PDE residuals and boundary traces. On benchmark problems in one to three dimensions, the solver is competitive with finite-difference and neural-network baselines at a far smaller interior-constraint budget. Unlike those deterministic baselines, it returns a posterior over the complex wavefield rather than a point estimate. Applied to in vivo brain magnetic resonance elastography, a proper multiscale prior reconstructs the shear curl field to a correlation of 0.77 with measurement, above a 0.75 target. The gain arises from the multiscale kernel rather than from real--imaginary coupling. We further identify a low-frequency accuracy ceiling set by model mismatch and a posterior uncertainty that is not yet calibrated. Calibrated uncertainty therefore emerges as the central next step for probabilistic wavefield inference in dissipative media.

In this paper, we present "Graph Feature Preprocessor", a software library for detecting typical money laundering patterns in financial transaction graphs in real time. These patterns are used to produce a rich set of transaction features for downstream machine learning training and inference tasks such as detection of fraudulent financial transactions. We show that our enriched transaction features dramatically improve the prediction accuracy of gradient-boosting-based machine learning models. Our library exploits multicore parallelism, maintains a dynamic in-memory graph, and efficiently mines subgraph patterns in the incoming transaction stream, which enables it to be operated in a streaming manner. Our solution, which combines our Graph Feature Preprocessor and gradient-boosting-based machine learning models, can detect illicit transactions with higher minority-class F1 scores than standard graph neural networks in anti-money laundering and phishing datasets. In addition, the end-to-end throughput rate of our solution executed on a multicore CPU outperforms the graph neural network baselines executed on a powerful V100 GPU. Overall, the combination of high accuracy, a high throughput rate, and low latency of our solution demonstrates the practical value of our library in real-world applications.

Physics-informed surrogate models can accelerate computational fluid dynamics simulations. However, many existing methods reproduce global flow patterns more reliably than localized multiscale structures. This study presents a physics-informed Fourier-wavelet transformer for next-step velocity-field reconstruction in real-world flow benchmarks. The proposed formulation combines hybrid Fourier-wavelet spectral encoding with physics-biased self-attention based on partial differential equation residual diagnostics. It also uses self-supervised pretraining through Masked Physics Prediction and Equation Consistency Prediction. The experiments are conducted on two real benchmark cases: cylinder-wake flow and fluid-structure interaction. All approaches are evaluated under a shared local protocol and compared with spectral, transformer-based, operator-learning, and physics-informed neural-network baselines. On the cylinder-wake benchmark, the proposed model achieves the best aggregate accuracy, with an all-channel normalized mean-squared error of 0.05875 and an all-channel Pearson correlation coefficient of 0.97019. On the fluid-structure-interaction benchmark, it gives the lowest all-channel normalized mean-squared error of 2.70 times 10^{-4}, compared with 4.02 times 10^{-4} for the strongest baseline. Component-wise field comparisons and scale-separated diagnostics further show stronger recovery of localized wake structures, including near-body, wake-core, and far-wake features. The results demonstrate improved real-world flow reconstruction while maintaining a practical accuracy-cost tradeoff.

Point-of-interest (POI) recommendation models based on graph neural networks achieve strong performance by propagating collaborative signals over user-item interactions, yet they struggle with the cold-start problem, where items with few or no interactions are not represented. In this paper, we propose LLM-augmented Multi-Graph Contrastive Learning (LLM-MGCL), a multi-graph neural network that uses semantic and spatial information about items to extend the LightGCN backbone with two auxiliary item-item graphs: a semantic graph constructed from sentence embeddings of LLM-generated photo summaries and keywords, and a geographic graph derived from Haversine distances between business locations. Item embeddings are propagated over all three graphs in parallel, fused additively, and aligned across views through a bidirectional InfoNCE contrastive objective that connects behavioral, semantic, and spatial representations of the same items. Experiments on the Yelp Multimodal Recommendation Dataset show that LLM-MGCL outperforms classical collaborative filtering, matrix factorization, and interaction-only graph neural network baselines. It improves Recall@20 by 52.0% and NDCG@20 by 64.8% over LightGCN while performing on par with the strongest contrastive baseline, Self-supervised Graph Learning (SGL), which is also affected by the cold-start problem. An ablation study reveals that the cross-view contrastive alignment (CA) is the primary driver of these gains, with the best performance achieved when all three graphs are combined. Our results suggest that externally grounded, LLM-derived item knowledge can effectively compensate for missing collaborative signal and mitigate the item cold-start problem in POI recommendation.

Real-time EEG classification on edge devices is bottlenecked by the floating-point arithmetic of conventional neural networks. We investigated Differentiable Logic Gate Networks (Diff-Logic) as a hardware-native alternative that compiles models into pure Boolean circuits executable via bitwise CPU operations. Through rigorous iso-parameter experiments across four EEG datasets spanning two classification tasks, binary dementia detection and 3-class emotion recognition, we compared Diff-Logic against matched-capacity Multi-Layer Perceptron (MLP) and Binarized Neural Network (BNN) baselines at four complexity tiers (50k-500k parameters). On dementia screening, Diff-Logic achieved 80.2% Macro F1, outperforming the MLP baseline by 6.8%. On emotion recognition, the MLP retained a moderate performance advantage but incurred a 2.3times higher latency and 14times larger model size when deployed on a power-constrained (7W) Nvidia Jetson Orin Nano CPU (Single-core). Critically, Diff-Logic inference time remained nearly constant across a 10times increase in model scale, achieving a peak speedup of 2.9times over MLPs at the largest complexity tier. Our results establish logic-based neural architectures as a practical paradigm for resource-constrained brain-computer interfaces, achieving competitive or superior performance while natively satisfying the latency and memory constraints of portable edge deployment. Code is available on GitHub: https://github.com/Shyamal-Dharia/eeg-difflogic

The skeleton of a digital image is a compact representation of its topology, geometry, and scale. It has utility in many computer vision applications, such as image description, segmentation, and registration. However, skeletonization has only seen limited use in contemporary deep learning solutions. Most existing skeletonization algorithms are not differentiable, making it impossible to integrate them with gradient-based optimization. Compatible algorithms based on morphological operations and neural networks have been proposed, but their results often deviate from the geometry and topology of the true medial axis. This work introduces the first three-dimensional skeletonization algorithm that is both compatible with gradient-based optimization and preserves an object's topology. Our method is exclusively based on matrix additions and multiplications, convolutional operations, basic non-linear functions, and sampling from a uniform probability distribution, allowing it to be easily implemented in any major deep learning library. In benchmarking experiments, we prove the advantages of our skeletonization algorithm compared to non-differentiable, morphological, and neural-network-based baselines. Finally, we demonstrate the utility of our algorithm by integrating it with two medical image processing applications that use gradient-based optimization: deep-learning-based blood vessel segmentation, and multimodal registration of the mandible in computed tomography and magnetic resonance images.

Transformers and variational autoencoders (VAE) have been extensively employed for symbolic (e.g., MIDI) domain music generation. While the former boast an impressive capability in modeling long sequences, the latter allow users to willingly exert control over different parts (e.g., bars) of the music to be generated. In this paper, we are interested in bringing the two together to construct a single model that exhibits both strengths. The task is split into two steps. First, we equip Transformer decoders with the ability to accept segment-level, time-varying conditions during sequence generation. Subsequently, we combine the developed and tested in-attention decoder with a Transformer encoder, and train the resulting MuseMorphose model with the VAE objective to achieve style transfer of long pop piano pieces, in which users can specify musical attributes including rhythmic intensity and polyphony (i.e., harmonic fullness) they desire, down to the bar level. Experiments show that MuseMorphose outperforms recurrent neural network (RNN) based baselines on numerous widely-used metrics for style transfer tasks.

This paper investigates the ability of artificial neural networks to judge the grammatical acceptability of a sentence, with the goal of testing their linguistic competence. We introduce the Corpus of Linguistic Acceptability (CoLA), a set of 10,657 English sentences labeled as grammatical or ungrammatical from published linguistics literature. As baselines, we train several recurrent neural network models on acceptability classification, and find that our models outperform unsupervised models by Lau et al (2016) on CoLA. Error-analysis on specific grammatical phenomena reveals that both Lau et al.'s models and ours learn systematic generalizations like subject-verb-object order. However, all models we test perform far below human level on a wide range of grammatical constructions.

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

Despite Graph Neural Networks (GNNs) have achieved prominent success in many graph-based learning problem, such as credit risk assessment in financial networks and fake news detection in social networks. However, the trained GNNs still make errors and these errors may cause serious negative impact on society. Model editing, which corrects the model behavior on wrongly predicted target samples while leaving model predictions unchanged on unrelated samples, has garnered significant interest in the fields of computer vision and natural language processing. However, model editing for graph neural networks (GNNs) is rarely explored, despite GNNs' widespread applicability. To fill the gap, we first observe that existing model editing methods significantly deteriorate prediction accuracy (up to 50% accuracy drop) in GNNs while a slight accuracy drop in multi-layer perception (MLP). The rationale behind this observation is that the node aggregation in GNNs will spread the editing effect throughout the whole graph. This propagation pushes the node representation far from its original one. Motivated by this observation, we propose Editable Graph Neural Networks (EGNN), a neighbor propagation-free approach to correct the model prediction on misclassified nodes. Specifically, EGNN simply stitches an MLP to the underlying GNNs, where the weights of GNNs are frozen during model editing. In this way, EGNN disables the propagation during editing while still utilizing the neighbor propagation scheme for node prediction to obtain satisfactory results. Experiments demonstrate that EGNN outperforms existing baselines in terms of effectiveness (correcting wrong predictions with lower accuracy drop), generalizability (correcting wrong predictions for other similar nodes), and efficiency (low training time and memory) on various graph datasets.

During music listening, cortical activity encodes both acoustic and expectation-related information. Prior work has shown that ANN representations resemble cortical representations and can serve as supervisory signals for EEG recognition. Here we show that distinguishing acoustic and expectation-related ANN representations as teacher targets improves EEG-based music identification. Models pretrained to predict either representation outperform non-pretrained baselines, and combining them yields complementary gains that exceed strong seed ensembles formed by varying random initializations. These findings show that teacher representation type shapes downstream performance and that representation learning can be guided by neural encoding. This work points toward advances in predictive music cognition and neural decoding. Our expectation representation, computed directly from raw signals without manual labels, reflects predictive structure beyond onset or pitch, enabling investigation of multilayer predictive encoding across diverse stimuli. Its scalability to large, diverse datasets further suggests potential for developing general-purpose EEG models grounded in cortical encoding principles.

With a view to bridging the gap between deep learning and symbolic AI, we present a novel end-to-end neural network architecture that learns to form propositional representations with an explicitly relational structure from raw pixel data. In order to evaluate and analyse the architecture, we introduce a family of simple visual relational reasoning tasks of varying complexity. We show that the proposed architecture, when pre-trained on a curriculum of such tasks, learns to generate reusable representations that better facilitate subsequent learning on previously unseen tasks when compared to a number of baseline architectures. The workings of a successfully trained model are visualised to shed some light on how the architecture functions.

Accurate prediction of drug-target interactions is critical for advancing drug discovery. By reducing time and cost, machine learning and deep learning can accelerate this discovery process. Our approach utilises the powerful Barlow Twins architecture for feature-extraction while considering the structure of the target protein, achieving state-of-the-art predictive performance against multiple established benchmarks. The use of gradient boosting machine as the underlying predictor ensures fast and efficient predictions without the need for large computational resources. In addition, we further benchmarked new baselines against existing methods. Together, these innovations improve the efficiency and effectiveness of drug-target interaction predictions, providing robust tools for accelerating drug development and deepening the understanding of molecular interactions.

Modern neural network training relies on optimizers such as Adam and Muon which act on each weight matrix as a single object. Yet every weight matrix carries two distinct quantities -- a magnitude and a direction -- and all optimizers stepping in the matrix as a whole couple their dynamics: the directional change from an update depends on the current magnitude, while the magnitude drifts as a byproduct of learning the direction, so neither is governed directly by the learning rate. Typical training therefore leans on surrounding recipes such as weight decay and warmup to keep learning stable at scale, though these regulate the coupling only indirectly; other recent methods instead constrain the weight to a fixed-norm sphere, but add no learnable magnitude, leaving scale control to normalization layers alone. We propose Magnitude--Direction (MD) Decoupling, an optimizer modification that factorizes each weight into a fixed-norm direction on a hypersphere and learnable per-row and per-column magnitude gains, updated at separate learning rates, all while the model still sees a single fused weight tensor. The method is agnostic to the base optimizer and removes the need for weight decay and warmup. Across both Adam and Muon, MD Decoupling improves on well-tuned baselines, transfers the optimal LR across model width without retuning, and continues to help at scale on large Mixture-of-Experts (MoE) models. Treating magnitude and direction as separately controlled quantities thus yields more predictable training dynamics and a simple, broadly applicable improvement to modern optimizers.

We present 3DRegNet, a novel deep learning architecture for the registration of 3D scans. Given a set of 3D point correspondences, we build a deep neural network to address the following two challenges: (i) classification of the point correspondences into inliers/outliers, and (ii) regression of the motion parameters that align the scans into a common reference frame. With regard to regression, we present two alternative approaches: (i) a Deep Neural Network (DNN) registration and (ii) a Procrustes approach using SVD to estimate the transformation. Our correspondence-based approach achieves a higher speedup compared to competing baselines. We further propose the use of a refinement network, which consists of a smaller 3DRegNet as a refinement to improve the accuracy of the registration. Extensive experiments on two challenging datasets demonstrate that we outperform other methods and achieve state-of-the-art results. The code is available.

Graph Neural Networks (GNNs) show promising results for graph tasks. However, existing GNNs' generalization ability will degrade when there exist distribution shifts between testing and training graph data. The cardinal impetus underlying the severe degeneration is that the GNNs are architected predicated upon the I.I.D assumptions. In such a setting, GNNs are inclined to leverage imperceptible statistical correlations subsisting in the training set to predict, albeit it is a spurious correlation. In this paper, we study the problem of the generalization ability of GNNs in Out-Of-Distribution (OOD) settings. To solve this problem, we propose the Learning to Reweight for Generalizable Graph Neural Network (L2R-GNN) to enhance the generalization ability for achieving satisfactory performance on unseen testing graphs that have different distributions with training graphs. We propose a novel nonlinear graph decorrelation method, which can substantially improve the out-of-distribution generalization ability and compares favorably to previous methods in restraining the over-reduced sample size. The variables of the graph representation are clustered based on the stability of the correlation, and the graph decorrelation method learns weights to remove correlations between the variables of different clusters rather than any two variables. Besides, we interpose an efficacious stochastic algorithm upon bi-level optimization for the L2R-GNN framework, which facilitates simultaneously learning the optimal weights and GNN parameters, and avoids the overfitting problem. Experimental results show that L2R-GNN greatly outperforms baselines on various graph prediction benchmarks under distribution shifts.

The 2021 NeurIPS Machine Learning for Combinatorial Optimization (ML4CO) competition was designed with the goal of improving state-of-the-art combinatorial optimization solvers by replacing key heuristic components with machine learning models. The competition's main scientific question was the following: is machine learning a viable option for improving traditional combinatorial optimization solvers on specific problem distributions, when historical data is available? This was motivated by the fact that in many practical scenarios, the data changes only slightly between the repetitions of a combinatorial optimization problem, and this is an area where machine learning models are particularly powerful at. This paper summarizes the solution and lessons learned by the Huawei EI-OROAS team in the dual task of the competition. The submission of our team achieved the second place in the final ranking, with a very close distance to the first spot. In addition, our solution was ranked first consistently for several weekly leaderboard updates before the final evaluation. We provide insights gained from a large number of experiments, and argue that a simple Graph Convolutional Neural Network (GCNNs) can achieve state-of-the-art results if trained and tuned properly.

The electronic design automation of analog circuits has been a longstanding challenge in the integrated circuit field due to the huge design space and complex design trade-offs among circuit specifications. In the past decades, intensive research efforts have mostly been paid to automate the transistor sizing with a given circuit topology. By recognizing the graph nature of circuits, this paper presents a Circuit Graph Neural Network (CktGNN) that simultaneously automates the circuit topology generation and device sizing based on the encoder-dependent optimization subroutines. Particularly, CktGNN encodes circuit graphs using a two-level GNN framework (of nested GNN) where circuits are represented as combinations of subgraphs in a known subgraph basis. In this way, it significantly improves design efficiency by reducing the number of subgraphs to perform message passing. Nonetheless, another critical roadblock to advancing learning-assisted circuit design automation is a lack of public benchmarks to perform canonical assessment and reproducible research. To tackle the challenge, we introduce Open Circuit Benchmark (OCB), an open-sourced dataset that contains 10K distinct operational amplifiers with carefully-extracted circuit specifications. OCB is also equipped with communicative circuit generation and evaluation capabilities such that it can help to generalize CktGNN to design various analog circuits by producing corresponding datasets. Experiments on OCB show the extraordinary advantages of CktGNN through representation-based optimization frameworks over other recent powerful GNN baselines and human experts' manual designs. Our work paves the way toward a learning-based open-sourced design automation for analog circuits. Our source code is available at https://github.com/zehao-dong/CktGNN.

This paper proposes SoftGM, an octopus-inspired distributed control architecture for segmented soft robotic arms that learn to reach targets in contact-rich environments using online obstacle discovery without assuming full obstacle geometry at the start of each episode. SoftGM formulates each arm section as a cooperative agent and represents the arm-environment interaction as a graph. SoftGM uses a two-stage graph attention message passing scheme following a Centralised Training Decentralised Execution (CTDE) paradigm with a centralised critic and decentralised actor. We evaluate SoftGM in a Cosserat-rod simulator (PyElastica) across three tasks that increase the complexity of the environment: obstacle-free, structured obstacles, and a wall-with-hole scenario. Compared with six widely used MARL baselines (IDDPG, IPPO, ISAC, MADDPG, MAPPO, MASAC) under identical information content and training conditions, SoftGM matches strong CTDE methods in simpler settings and achieves the best performance in the wall-with-hole task. Robustness tests with observation noise, single-section actuation failure, and transient disturbances show that SoftGM maintains comparable performance under non-ideal simulated conditions while keeping control effort bounded, suggesting that selective contact-relevant information routing improves resilience in the tested settings.

This paper tackles optimization problems whose objective and constraints involve a trained Neural Network (NN), where the goal is to maximize f(Phi(x)) subject to c(Phi(x)) leq 0, with f smooth, c general and non-stringent, and Phi an already trained and possibly nonwhite-box NN. We address two challenges regarding this problem: identifying ascent directions for local search, and ensuring reliable convergence towards relevant local solutions. To this end, we re-purpose the notion of directional NN attacks as efficient optimization subroutines, since directional NN attacks use the neural structure of Phi to compute perturbations of x that steer Phi(x) in prescribed directions. Precisely, we develop an attack operator that computes attacks of Phi at any x along the direction nabla f(Phi(x)). Then, we propose a hybrid algorithm combining the attack operator with derivative-free optimization (DFO) techniques, designed for numerical reliability by remaining oblivious to the structure of the problem. We consider the cDSM algorithm, which offers asymptotic guarantees to converge to a local solution under mild assumptions on the problem. The resulting method alternates between attack-based steps for heuristic yet fast local intensification and cDSM steps for certified convergence and numerical reliability. Experiments on three problems show that this hybrid approach consistently outperforms standard DFO baselines.

Modern transformers pair impressive capabilities with substantial memory and compute demands. Low-rank weight factorization reduces both while keeping the matrices dense, and thus efficient on standard hardware. Existing methods, however, choose the subspace to remove from each weight matrix with local closed-form criteria: activation energy, layer-wise reconstruction error, or a quadratic approximation of the loss. These criteria ignore how errors propagate through the network, so at high compression the errors compound with depth and performance collapses. We introduce Learnable Subspace Projections (LSP), which instead learns the subspaces to discard end-to-end. Each linear layer, or tied group of layers that read the same activations, is assigned an orthogonal projector. All projectors are optimized jointly against a global objective--the KL divergence to the dense model's output distribution or the model's original training loss--while the pretrained weights remain frozen. Projectors are initialized from a whitened SVD truncation, and ranks are allocated by the output KL each projector induces per parameter saved. After training, the projectors merge into standard low-rank factors, with each tied group sharing one factor. In attention, this also lets the model cache one narrow latent in place of full keys and values. Across LLMs (OPT-125M/1.3B, Qwen3-4B, Llama-2-7B) and ViT-B/16, LSP outperforms baselines, and its advantage widens as compression increases. At -70% compression, LSP brings Llama-2-7B to 10.9 WikiText-2 perplexity and 42.2% mean zero-shot accuracy, versus 13.3 and 36.0% for the strongest baseline. The factorized model decodes up to 1.6x faster than the dense model at small batch sizes, and aching the shared latent shrinks the combined memory of weights and KV cache by 13.5x at a 128k-token context, versus at most 6.5x for untied baseline factorizations.

Graph neural networks (GNNs) have demonstrated superior performance in collaborative recommendation through their ability to conduct high-order representation smoothing, effectively capturing structural information within users' interaction patterns. However, existing GNN paradigms face significant challenges in scalability and robustness when handling large-scale, noisy, and real-world datasets. To address these challenges, we present LightGNN, a lightweight and distillation-based GNN pruning framework designed to substantially reduce model complexity while preserving essential collaboration modeling capabilities. Our LightGNN framework introduces a computationally efficient pruning module that adaptively identifies and removes redundant edges and embedding entries for model compression. The framework is guided by a resource-friendly hierarchical knowledge distillation objective, whose intermediate layer augments the observed graph to maintain performance, particularly in high-rate compression scenarios. Extensive experiments on public datasets demonstrate LightGNN's effectiveness, significantly improving both computational efficiency and recommendation accuracy. Notably, LightGNN achieves an 80% reduction in edge count and 90% reduction in embedding entries while maintaining performance comparable to more complex state-of-the-art baselines. The implementation of our LightGNN framework is available at the github repository: https://github.com/HKUDS/LightGNN.

Spatiotemporal forecasting has various applications in neuroscience, climate and transportation domain. Traffic forecasting is one canonical example of such learning task. The task is challenging due to (1) complex spatial dependency on road networks, (2) non-linear temporal dynamics with changing road conditions and (3) inherent difficulty of long-term forecasting. To address these challenges, we propose to model the traffic flow as a diffusion process on a directed graph and introduce Diffusion Convolutional Recurrent Neural Network (DCRNN), a deep learning framework for traffic forecasting that incorporates both spatial and temporal dependency in the traffic flow. Specifically, DCRNN captures the spatial dependency using bidirectional random walks on the graph, and the temporal dependency using the encoder-decoder architecture with scheduled sampling. We evaluate the framework on two real-world large scale road network traffic datasets and observe consistent improvement of 12% - 15% over state-of-the-art baselines.

Sparse neural networks have shown similar or better generalization performance than their dense counterparts while having higher parameter efficiency. This has motivated a number of works to learn or search for high performing sparse networks. While reports of task performance or efficiency gains are impressive, standard baselines are lacking leading to poor comparability and unreliable reproducibility across methods. In this work, we propose Random Search as a baseline algorithm for finding good sparse configurations and study its performance. We apply Random Search on the node space of an overparameterized network with the goal of finding better initialized sparse sub-networks that are positioned more advantageously in the loss landscape. We record the post-training performances of the found sparse networks and at various levels of sparsity, and compare against both their fully connected parent networks and random sparse configurations at the same sparsity levels. First, we demonstrate performance at different levels of sparsity and highlight that a significant level of performance can still be preserved even when the network is highly sparse. Second, we observe that for this sparse architecture search task, initialized sparse networks found by Random Search neither perform better nor converge more efficiently than their random counterparts. Thus we conclude that Random Search may be viewed as a reasonable neutral baseline for sparsity search methods.

To meet the growing mobility needs in intra-city transportation, the concept of urban air mobility (UAM) has been proposed in which vertical takeoff and landing (VTOL) aircraft are used to provide a ride-hailing service. In UAM, aircraft can operate in designated air spaces known as corridors, that link the aerodromes. A reliable communication network between GBSs and aircraft enables UAM to adequately utilize the airspace and create a fast, efficient, and safe transportation system. In this paper, to characterize the wireless connectivity performance for UAM, a spatial model is proposed. For this setup, the distribution of the distance between an arbitrarily selected GBS and its associated aircraft and the Laplace transform of the interference experienced by the GBS are derived. Using these results, the signal-to-interference ratio (SIR)-based connectivity probability is determined to capture the connectivity performance of the UAM aircraft-to-ground communication network. Then, leveraging these connectivity results, a wireless-enabled asynchronous federated learning (AFL) framework that uses a Fourier neural network is proposed to tackle the challenging problem of turbulence prediction during UAM operations. For this AFL scheme, a staleness-aware global aggregation scheme is introduced to expedite the convergence to the optimal turbulence prediction model used by UAM aircraft. Simulation results validate the theoretical derivations for the UAM wireless connectivity. The results also demonstrate that the proposed AFL framework converges to the optimal turbulence prediction model faster than the synchronous federated learning baselines and a staleness-free AFL approach. Furthermore, the results characterize the performance of wireless connectivity and convergence of the aircraft's turbulence model under different parameter settings, offering useful UAM design guidelines.

Dynamic graph representation learning requires capturing both structural relationships and temporal evolution, yet existing approaches face a fundamental trade-off: attention-based methods achieve expressiveness at O(T^2) complexity, while recurrent architectures suffer from gradient pathologies and dense state storage. Spiking neural networks offer event-driven efficiency but remain limited by sequential propagation, binary information loss, and local aggregation that misses global context. We propose ChronoSpike, an adaptive spiking graph neural network that integrates learnable LIF neurons with per-channel membrane dynamics, multi-head attentive spatial aggregation on continuous features, and a lightweight Transformer temporal encoder, enabling both fine-grained local modeling and long-range dependency capture with linear memory complexity O(T cdot d). On three large-scale benchmarks, ChronoSpike outperforms twelve state-of-the-art baselines by 2.0% Macro-F1 and 2.4% Micro-F1 while achieving 3-10times faster training than recurrent methods with a constant 105K-parameter budget independent of graph size. We provide theoretical guarantees for membrane potential boundedness, gradient flow stability under contraction factor ρ< 1, and BIBO stability; interpretability analyses reveal heterogeneous temporal receptive fields and a learned primacy effect with 83-88% sparsity.

Neuromorphic computing, which exploits Spiking Neural Networks (SNNs) on neuromorphic chips, is a promising energy-efficient alternative to traditional AI. CNN-based SNNs are the current mainstream of neuromorphic computing. By contrast, no neuromorphic chips are designed especially for Transformer-based SNNs, which have just emerged, and their performance is only on par with CNN-based SNNs, offering no distinct advantage. In this work, we propose a general Transformer-based SNN architecture, termed as ``Meta-SpikeFormer", whose goals are: 1) Lower-power, supports the spike-driven paradigm that there is only sparse addition in the network; 2) Versatility, handles various vision tasks; 3) High-performance, shows overwhelming performance advantages over CNN-based SNNs; 4) Meta-architecture, provides inspiration for future next-generation Transformer-based neuromorphic chip designs. Specifically, we extend the Spike-driven Transformer in yao2023spike into a meta architecture, and explore the impact of structure, spike-driven self-attention, and skip connection on its performance. On ImageNet-1K, Meta-SpikeFormer achieves 80.0\% top-1 accuracy (55M), surpassing the current state-of-the-art (SOTA) SNN baselines (66M) by 3.7\%. This is the first direct training SNN backbone that can simultaneously supports classification, detection, and segmentation, obtaining SOTA results in SNNs. Finally, we discuss the inspiration of the meta SNN architecture for neuromorphic chip design. Source code and models are available at https://github.com/BICLab/Spike-Driven-Transformer-V2.

Spatio-temporal modeling is foundational for smart city applications, yet it is often hindered by data scarcity in many cities and regions. To bridge this gap, we propose a novel generative pre-training framework, GPD, for spatio-temporal few-shot learning with urban knowledge transfer. Unlike conventional approaches that heavily rely on common feature extraction or intricate few-shot learning designs, our solution takes a novel approach by performing generative pre-training on a collection of neural network parameters optimized with data from source cities. We recast spatio-temporal few-shot learning as pre-training a generative diffusion model, which generates tailored neural networks guided by prompts, allowing for adaptability to diverse data distributions and city-specific characteristics. GPD employs a Transformer-based denoising diffusion model, which is model-agnostic to integrate with powerful spatio-temporal neural networks. By addressing challenges arising from data gaps and the complexity of generalizing knowledge across cities, our framework consistently outperforms state-of-the-art baselines on multiple real-world datasets for tasks such as traffic speed prediction and crowd flow prediction. The implementation of our approach is available: https://github.com/tsinghua-fib-lab/GPD.

Climate-vulnerable road networks require a paradigm shift from reactive, fix-on-failure repairs to predictive, decision-ready maintenance. This paper introduces ST-ResGAT, a novel Spatio-Temporal Residual Graph Attention Network that fuses residual graph-attention encoding with GRU temporal aggregation to forecast pavement deterioration. Engineered for resource-constrained deployment, the framework translates continuous Pavement Condition Index (PCI) forecasts directly into the American Society for Testing and Materials (ASTM)-compliant maintenance priorities. Using a real-world inspection dataset of 750 segments in Sylhet, Bangladesh (2021-2024), ST-ResGAT significantly outperforms traditional non-spatial machine learning baselines, achieving exceptional predictive fidelity (R2 = 0.93, RMSE = 2.72). Crucially, ablation testing confirmed the mathematical necessity of modeling topological neighbor effects, proving that structural decay acts as a spatial contagion. Uniquely, we integrate GNNExplainer to unbox the model, demonstrating that its learned priorities align perfectly with established physical engineering theory. Furthermore, we quantify classification safety: achieving 85.5% exact ASTM class agreement and 100% adjacent-class containment, ensuring bounded, engineer-safe predictions. To connect model outputs to policy, we generate localized longitudinal maintenance profiles, perform climate stress-testing, and derive Pareto sustainability frontiers. ST-ResGAT therefore offers a practical, explainable, and sustainable blueprint for intelligent infrastructure management in high-risk, low-resource geological settings.

Face recognition is a mainstream biometric authentication method. However, vulnerability to presentation attacks (a.k.a spoofing) limits its usability in unsupervised applications. Even though there are many methods available for tackling presentation attacks (PA), most of them fail to detect sophisticated attacks such as silicone masks. As the quality of presentation attack instruments improves over time, achieving reliable PA detection with visual spectra alone remains very challenging. We argue that analysis in multiple channels might help to address this issue. In this context, we propose a multi-channel Convolutional Neural Network based approach for presentation attack detection (PAD). We also introduce the new Wide Multi-Channel presentation Attack (WMCA) database for face PAD which contains a wide variety of 2D and 3D presentation attacks for both impersonation and obfuscation attacks. Data from different channels such as color, depth, near-infrared and thermal are available to advance the research in face PAD. The proposed method was compared with feature-based approaches and found to outperform the baselines achieving an ACER of 0.3% on the introduced dataset. The database and the software to reproduce the results are made available publicly.

Humans represent scenes and objects in rich feature spaces, carrying information that allows us to generalise about category memberships and abstract functions with few examples. What determines whether a neural network model generalises like a human? We tested how well the representations of 86 pretrained neural network models mapped to human learning trajectories across two tasks where humans had to learn continuous relationships and categories of natural images. In these tasks, both human participants and neural networks successfully identified the relevant stimulus features within a few trials, demonstrating effective generalisation. We found that while training dataset size was a core determinant of alignment with human choices, contrastive training with multi-modal data (text and imagery) was a common feature of currently publicly available models that predicted human generalisation. Intrinsic dimensionality of representations had different effects on alignment for different model types. Lastly, we tested three sets of human-aligned representations and found no consistent improvements in predictive accuracy compared to the baselines. In conclusion, pretrained neural networks can serve to extract representations for cognitive models, as they appear to capture some fundamental aspects of cognition that are transferable across tasks. Both our paradigms and modelling approach offer a novel way to quantify alignment between neural networks and humans and extend cognitive science into more naturalistic domains.

Multivariate time-series data often exhibit complex temporal dependencies, irregular sampling, and heterogeneous dynamics across multiple time scales, making accurate sequence modeling particularly challenging. Traditional recurrent neural networks (RNNs), such as Long Short-Term Memory (LSTM) networks, operate in discrete time and may struggle to effectively capture continuous and irregular temporal behaviors. Liquid Neural Networks (LNNs) address some of these limitations through continuous-time dynamics, but standard LNN architectures typically rely on a single dynamical system, limiting their ability to model heterogeneous temporal patterns. To address these challenges, we propose a Multi-Rate Mixture-of-Experts (MR-MoE) framework built on top of Liquid Neural Networks. In the proposed architecture, multiple LNN-based experts operate at distinct time scales, enabling the model to explicitly separate fast-changing dynamics from slow-evolving temporal trends. A gating network further enables adaptive expert specialization based on input conditions. In addition, we incorporate both feature-level and temporal attention mechanisms to improve robustness, interpretability, and long-range dependency modeling. Feature-level attention suppresses noisy or irrelevant variables, while temporal attention selectively focuses on informative historical states. We evaluate the proposed framework on a complex multivariate time-series prediction task and compare it against strong baselines, including LSTM, monolithic LNN, and standard MoE models. Experimental results demonstrate that the proposed MR-MoE framework consistently achieves improved AUROC and AUPRC performance while maintaining favorable computational efficiency. These results highlight the effectiveness of combining continuous-time dynamics, multi-scale expert decomposition, and adaptive attention mechanisms for time-series modeling.

Multi-agent coordination is crucial for reliable multi-robot navigation in shared spaces such as automated warehouses. In regions of dense robot traffic, local coordination methods may fail to find a deadlock-free solution. In these scenarios, it is appropriate to let a central unit generate a global schedule that decides the passing order of robots. However, the runtime of such centralized coordination methods increases significantly with the problem scale. In this paper, we propose to leverage Graph Neural Network Variational Autoencoders (GNN-VAE) to solve the multi-agent coordination problem at scale faster than through centralized optimization. We formulate the coordination problem as a graph problem and collect ground truth data using a Mixed-Integer Linear Program (MILP) solver. During training, our learning framework encodes good quality solutions of the graph problem into a latent space. At inference time, solution samples are decoded from the sampled latent variables, and the lowest-cost sample is selected for coordination. Finally, the feasible proposal with the highest performance index is selected for the deployment. By construction, our GNN-VAE framework returns solutions that always respect the constraints of the considered coordination problem. Numerical results show that our approach trained on small-scale problems can achieve high-quality solutions even for large-scale problems with 250 robots, being much faster than other baselines. Project page: https://mengyuest.github.io/gnn-vae-coord

Sparse Autoencoders (SAEs) have emerged as a promising tool for interpreting neural networks by decomposing their activations into sparse sets of human-interpretable features. Recent work has introduced multiple SAE variants and successfully scaled them to frontier models. Despite much excitement, a growing number of negative results in downstream tasks casts doubt on whether SAEs recover meaningful features. To directly investigate this, we perform two complementary evaluations. On a synthetic setup with known ground-truth features, we demonstrate that SAEs recover only 9% of true features despite achieving 71% explained variance, showing that they fail at their core task even when reconstruction is strong. To evaluate SAEs on real activations, we introduce three baselines that constrain SAE feature directions or their activation patterns to random values. Through extensive experiments across multiple SAE architectures, we show that our baselines match fully-trained SAEs in interpretability (0.87 vs 0.90), sparse probing (0.69 vs 0.72), and causal editing (0.73 vs 0.72). Together, these results suggest that SAEs in their current state do not reliably decompose models' internal mechanisms.

Programming-by-example is the task of synthesizing a program that is consistent with a set of user-provided input-output examples. As examples are often an under-specification of one's intent, a good synthesizer must choose the intended program from the many that are consistent with the given set of examples. Prior work frames program synthesis as a cooperative game between a listener (that synthesizes programs) and a speaker (a user choosing examples), and shows that models of computational pragmatic inference are effective in choosing the user intended programs. However, these models require counterfactual reasoning over a large set of programs and examples, which is infeasible in realistic program spaces. In this paper, we propose a novel way to amortize this search with neural networks. We sample pairs of programs and examples via self-play between listener and speaker models, and use pragmatic inference to choose informative training examples from this sample.We then use the informative dataset to train models to improve the synthesizer's ability to disambiguate user-provided examples without human supervision. We validate our method on the challenging task of synthesizing regular expressions from example strings, and find that our method (1) outperforms models trained without choosing pragmatic examples by 23% (a 51% relative increase) (2) matches the performance of supervised learning on a dataset of pragmatic examples provided by humans, despite using no human data in training.

Leveraging multiple Large Language Models(LLMs) has proven effective for addressing complex, high-dimensional tasks, but current approaches often rely on static, manually engineered multi-agent configurations. To overcome these constraints, we present the Agentic Neural Network(ANN), a framework that conceptualizes multi-agent collaboration as a layered neural network architecture. In this design, each agent operates as a node, and each layer forms a cooperative "team" focused on a specific subtask. Agentic Neural Network follows a two-phase optimization strategy: (1) Forward Phase-Drawing inspiration from neural network forward passes, tasks are dynamically decomposed into subtasks, and cooperative agent teams with suitable aggregation methods are constructed layer by layer. (2) Backward Phase-Mirroring backpropagation, we refine both global and local collaboration through iterative feedback, allowing agents to self-evolve their roles, prompts, and coordination. This neuro-symbolic approach enables ANN to create new or specialized agent teams post-training, delivering notable gains in accuracy and adaptability. Across four benchmark datasets, ANN surpasses leading multi-agent baselines under the same configurations, showing consistent performance improvements. Our findings indicate that ANN provides a scalable, data-driven framework for multi-agent systems, combining the collaborative capabilities of LLMs with the efficiency and flexibility of neural network principles. We plan to open-source the entire framework.

With the advancement in argument detection, we suggest to pay more attention to the challenging task of identifying the more convincing arguments. Machines capable of responding and interacting with humans in helpful ways have become ubiquitous. We now expect them to discuss with us the more delicate questions in our world, and they should do so armed with effective arguments. But what makes an argument more persuasive? What will convince you? In this paper, we present a new data set, IBM-EviConv, of pairs of evidence labeled for convincingness, designed to be more challenging than existing alternatives. We also propose a Siamese neural network architecture shown to outperform several baselines on both a prior convincingness data set and our own. Finally, we provide insights into our experimental results and the various kinds of argumentative value our method is capable of detecting.

Existing sequence models, including RNNs, LSTMs, continuous-time networks, and Transformers, share a common structural principle: layer-wise dynamics, where all neurons in the same layer co-evolve through a shared parameterized operator, leaving individual neurons no freedom to evolve independently. Yet in many complex dynamical systems, rich global behavior emerges precisely from locally evolving units interacting through structured connectivity. Inspired by this principle, we introduce Topological Neural Dynamics (TND), a sequence modeling framework that shifts computation from layer-wise to neuron-wise dynamics. TND represents a neural system as a directed neuron graph, an interaction operator, and a local dynamics function, where each neuron evolves independently and collective computation emerges from interactions through the explicit graph topology. We instantiate TND as a discrete-time graph-coupled dynamical system and evaluate it as a case study on a behavior cloning task in single-player Pong. Compared with Vanilla RNN, Sparse RNN, LSTM, Closed-form continuous-time neural network (CfC), and Transformer baselines, TND achieves the best catch rate and a mean of 17.47 consecutive catches per round, more than three times that of the strongest baseline. These results suggest that shifting from layer-wise to neuron-wise dynamics provides an effective inductive bias for sequence modeling.

This paper presents a far-field text-dependent speaker verification database named HI-MIA. We aim to meet the data requirement for far-field microphone array based speaker verification since most of the publicly available databases are single channel close-talking and text-independent. The database contains recordings of 340 people in rooms designed for the far-field scenario. Recordings are captured by multiple microphone arrays located in different directions and distance to the speaker and a high-fidelity close-talking microphone. Besides, we propose a set of end-to-end neural network based baseline systems that adopt single-channel data for training. Moreover, we propose a testing background aware enrollment augmentation strategy to further enhance the performance. Results show that the fusion systems could achieve 3.29% EER in the far-field enrollment far field testing task and 4.02% EER in the close-talking enrollment and far-field testing task.

Given the ever-increasing size of modern neural networks, the significance of sparse architectures has surged due to their accelerated inference speeds and minimal memory demands. When it comes to global pruning techniques, Iterative Magnitude Pruning (IMP) still stands as a state-of-the-art algorithm despite its simple nature, particularly in extremely sparse regimes. In light of the recent finding that the two successive matching IMP solutions are linearly connected without a loss barrier, we propose Sparse Weight Averaging with Multiple Particles (SWAMP), a straightforward modification of IMP that achieves performance comparable to an ensemble of two IMP solutions. For every iteration, we concurrently train multiple sparse models, referred to as particles, using different batch orders yet the same matching ticket, and then weight average such models to produce a single mask. We demonstrate that our method consistently outperforms existing baselines across different sparsities through extensive experiments on various data and neural network structures.

Recent years have witnessed an increasing interest in image-based question-answering (QA) tasks. However, due to data limitations, there has been much less work on video-based QA. In this paper, we present TVQA, a large-scale video QA dataset based on 6 popular TV shows. TVQA consists of 152,545 QA pairs from 21,793 clips, spanning over 460 hours of video. Questions are designed to be compositional in nature, requiring systems to jointly localize relevant moments within a clip, comprehend subtitle-based dialogue, and recognize relevant visual concepts. We provide analyses of this new dataset as well as several baselines and a multi-stream end-to-end trainable neural network framework for the TVQA task. The dataset is publicly available at http://tvqa.cs.unc.edu.

Recently the LARS and LAMB optimizers have been proposed for training neural networks faster using large batch sizes. LARS and LAMB add layer-wise normalization to the update rules of Heavy-ball momentum and Adam, respectively, and have become popular in prominent benchmarks and deep learning libraries. However, without fair comparisons to standard optimizers, it remains an open question whether LARS and LAMB have any benefit over traditional, generic algorithms. In this work we demonstrate that standard optimization algorithms such as Nesterov momentum and Adam can match or exceed the results of LARS and LAMB at large batch sizes. Our results establish new, stronger baselines for future comparisons at these batch sizes and shed light on the difficulties of comparing optimizers for neural network training more generally.

We extend variational autoencoders (VAEs) to collaborative filtering for implicit feedback. This non-linear probabilistic model enables us to go beyond the limited modeling capacity of linear factor models which still largely dominate collaborative filtering research.We introduce a generative model with multinomial likelihood and use Bayesian inference for parameter estimation. Despite widespread use in language modeling and economics, the multinomial likelihood receives less attention in the recommender systems literature. We introduce a different regularization parameter for the learning objective, which proves to be crucial for achieving competitive performance. Remarkably, there is an efficient way to tune the parameter using annealing. The resulting model and learning algorithm has information-theoretic connections to maximum entropy discrimination and the information bottleneck principle. Empirically, we show that the proposed approach significantly outperforms several state-of-the-art baselines, including two recently-proposed neural network approaches, on several real-world datasets. We also provide extended experiments comparing the multinomial likelihood with other commonly used likelihood functions in the latent factor collaborative filtering literature and show favorable results. Finally, we identify the pros and cons of employing a principled Bayesian inference approach and characterize settings where it provides the most significant improvements.

Colonial archives are at the center of increased interest from a variety of perspectives, as they contain traces of historically marginalized people. Unfortunately, like most archives, they remain difficult to access due to significant persisting barriers. We focus here on one of them: the biases to be found in historical findings aids, such as indexes of person names, which remain in use to this day. In colonial archives, indexes can perpetuate silences by omitting to include mentions of historically marginalized persons. In order to overcome such limitations and pluralize the scope of existing finding aids, we propose using automated entity recognition. To this end, we contribute a fit-for-purpose annotation typology and apply it on the colonial archive of the Dutch East India Company (VOC). We release a corpus of nearly 70,000 annotations as a shared task, for which we provide baselines using state-of-the-art neural network models. Our work intends to stimulate further contributions in the direction of broadening access to (colonial) archives, integrating automation as a possible means to this end.

We develop a first line of attack for solving programming competition-style problems from input-output examples using deep learning. The approach is to train a neural network to predict properties of the program that generated the outputs from the inputs. We use the neural network's predictions to augment search techniques from the programming languages community, including enumerative search and an SMT-based solver. Empirically, we show that our approach leads to an order of magnitude speedup over the strong non-augmented baselines and a Recurrent Neural Network approach, and that we are able to solve problems of difficulty comparable to the simplest problems on programming competition websites.

As artificial intelligence becomes increasingly intelligent---in some cases, achieving superhuman performance---there is growing potential for humans to learn from and collaborate with algorithms. However, the ways in which AI systems approach problems are often different from the ways people do, and thus may be uninterpretable and hard to learn from. A crucial step in bridging this gap between human and artificial intelligence is modeling the granular actions that constitute human behavior, rather than simply matching aggregate human performance. We pursue this goal in a model system with a long history in artificial intelligence: chess. The aggregate performance of a chess player unfolds as they make decisions over the course of a game. The hundreds of millions of games played online by players at every skill level form a rich source of data in which these decisions, and their exact context, are recorded in minute detail. Applying existing chess engines to this data, including an open-source implementation of AlphaZero, we find that they do not predict human moves well. We develop and introduce Maia, a customized version of Alpha-Zero trained on human chess games, that predicts human moves at a much higher accuracy than existing engines, and can achieve maximum accuracy when predicting decisions made by players at a specific skill level in a tuneable way. For a dual task of predicting whether a human will make a large mistake on the next move, we develop a deep neural network that significantly outperforms competitive baselines. Taken together, our results suggest that there is substantial promise in designing artificial intelligence systems with human collaboration in mind by first accurately modeling granular human decision-making.

Fast Weight Programmers (FWPs) encode temporal dependencies through dynamically updated parameters rather than recurrent hidden states. Quantum FWPs (QFWPs) extend this idea with variational quantum circuits (VQCs), but existing implementations rely on multi-qubit architectures that are difficult to scale on noisy intermediate-scale quantum (NISQ) devices and expensive to simulate classically. We propose gated QKAN-FWP, a fast-weight framework that integrates FWP with Quantum-inspired Kolmogorov-Arnold Network (QKAN) using single-qubit data re-uploading circuits as learnable nonlinear activation, known as DatA Re-Uploading ActivatioN (DARUAN). We further introduce a scalar-gated fast-weight update rule that stabilizes parameter evolution, supported by a theoretical analysis of its adaptive memory kernel, geometric boundedness, and parallelizable gradient paths. We evaluate the framework across time-series benchmarks, MiniGrid reinforcement learning, and highlight real-world solar cycle forecasting as our main practical result. In the long-horizon setting with 528-month input window and 132-month forecast horizon, our 12.5k-parameter model achieves lower scaled Mean Square Error (MSE), peak amplitude error, and peak timing error than a suite of classical recurrent baselines with up to 13x more parameters, including Long Short-Term Memory (LSTM) networks (25.9k-89.1k parameters), WaveNet-LSTM (167k), Vanilla recurrent neural network (11.5k), and a Modified Echo State Network (132k). To validate NISQ compatibility, we further deploy the trained fast programmer on IonQ and IBM Quantum processors, recovering forecasting accuracy within 0.1% relative MSE of the noiseless simulator at 1024 shots. These results position gated QKAN-FWP as a scalable, parameter-efficient, and NISQ-compatible approach to quantum-inspired sequence modeling.

Recent pre-training strategies for molecular graphs have attempted to use 2D and 3D molecular views as both inputs and self-supervised signals, primarily aligning graph-level representations. However, existing studies remain limited in addressing two main challenges of multi-view molecular learning: (1) discovering shared information between two views while diminishing view-specific information and (2) identifying and aligning important substructures, e.g., functional groups, which are crucial for enhancing cross-view consistency and model expressiveness. To solve these challenges, we propose a Multi-View Conditional Information Bottleneck framework, called MVCIB, for pre-training graph neural networks on 2D and 3D molecular structures in a self-supervised setting. Our idea is to discover the shared information while minimizing irrelevant features from each view under the MVCIB principle, which uses one view as a contextual condition to guide the representation learning of its counterpart. To enhance semantic and structural consistency across views, we utilize key substructures, e.g., functional groups and ego-networks, as anchors between the two views. Then, we propose a cross-attention mechanism that captures fine-grained correlations between the substructures to achieve subgraph alignment across views. Extensive experiments in four molecular domains demonstrated that MVCIB consistently outperforms baselines in both predictive performance and interpretability. Moreover, MVCIB achieved the 3d Weisfeiler-Lehman expressiveness power to distinguish not only non-isomorphic graphs but also different 3D geometries that share identical 2D connectivity, such as isomers.

We propose a method for adapting neural networks to distribution shifts at test-time. In contrast to training-time robustness mechanisms that attempt to anticipate and counter the shift, we create a closed-loop system and make use of a test-time feedback signal to adapt a network on the fly. We show that this loop can be effectively implemented using a learning-based function, which realizes an amortized optimizer for the network. This leads to an adaptation method, named Rapid Network Adaptation (RNA), that is notably more flexible and orders of magnitude faster than the baselines. Through a broad set of experiments using various adaptation signals and target tasks, we study the efficiency and flexibility of this method. We perform the evaluations using various datasets (Taskonomy, Replica, ScanNet, Hypersim, COCO, ImageNet), tasks (depth, optical flow, semantic segmentation, classification), and distribution shifts (Cross-datasets, 2D and 3D Common Corruptions) with promising results. We end with a discussion on general formulations for handling distribution shifts and our observations from comparing with similar approaches from other domains.

The quantum approximate optimization algorithm (QAOA) holds promise for combinatorial optimization but is constrained by limited qubits. While divide-and-conquer frameworks like QAOA^{2} address scalability by partitioning graphs into subgraphs, existing methods suffer from two fundamental limitations: i) misalignment between heuristic partitioning metrics and quantum optimization goals, and ii) topology-blind parameter initialization that leads to optimization cold starts. To bridge these gaps, we propose Neural QAOA^{2}, an end-to-end differentiable framework that jointly generates graph partitions and initial parameters. By integrating a generative evaluative network (GEN), our method utilizes a differentiable quantum evaluator as a high-fidelity performance surrogate to provide direct gradient guidance, enabling the joint generator to learn the intrinsic mapping from graph topology to high-quality partition and parameter configurations. Extensive experiments on 183 QUBO, Ising, and MaxCut instances (21 to 1000 variables) demonstrate that our gradient-driven approach broadly outperforms heuristic baselines, ranking first on 101 instances. It exhibits zero-shot generalization across out-of-distribution graph topologies and scales.

Neural surrogates promise large speedups over classical solvers for physical dynamics but fail silently at sharp dynamical events such as shocks, fronts, and contact. We present hybrid neural world models for physical dynamics: a recipe for training and deploying multi-horizon surrogates in physical state space, where a single network with continuous horizon conditioning is trained with direct supervision against textbook reference solvers to predict any future state at horizon T in one forward pass. Although no part of the training data, loss function, or architecture supervises discontinuity location, the trained surrogate encodes it implicitly, recoverable from its forward passes alone as a per-trajectory error map that concentrates on shocks, fronts, and contacts, and stays small elsewhere. The map is competitive with or better than standard label-free baselines including deep ensembles, learned error heads, gradient-magnitude indicators, and locally-adaptive conformal prediction, while using only a single trained network and requiring no calibration set or governing-equation knowledge. The recipe supports two operating points. Mode 1 runs the surrogate alone for maximum throughput, with same-hardware CPU speedups of 26x to 72x against textbook solvers on the PDE environments. Mode 2 uses the error map to gate a reference-solver fallback, deferring uncertain trajectories and roughly halving the surrogate's residual error at the default operating point. The recipe applies without modification across reaction-diffusion, compressible Euler, and rigid-body collision dynamics.

Recent one-shot Neural Architecture Search algorithms rely on training a hardware-agnostic super-network tailored to a specific task and then extracting efficient sub-networks for different hardware platforms. Popular approaches separate the training of super-networks from the search for sub-networks, often employing predictors to alleviate the computational overhead associated with search. Additionally, certain methods also incorporate the quantization policy within the search space. However, while the quantization policy search for convolutional neural networks is well studied, the extension of these methods to transformers and especially foundation models remains under-explored. In this paper, we demonstrate that by using multi-objective search algorithms paired with lightly trained predictors, we can efficiently search for both the sub-network architecture and the corresponding quantization policy and outperform their respective baselines across different performance objectives such as accuracy, model size, and latency. Specifically, we demonstrate that our approach performs well across both uni-modal (ViT and BERT) and multi-modal (BEiT-3) transformer-based architectures as well as convolutional architectures (ResNet). For certain networks, we demonstrate an improvement of up to 4.80x and 3.44x for latency and model size respectively, without degradation in accuracy compared to the fully quantized INT8 baselines.

We introduce JuRe (Just Repair), a minimal denoising network for time series anomaly detection that exposes a central finding: architectural complexity is unnecessary when the training objective correctly implements the manifold-projection principle. JuRe consists of a single depthwise-separable convolutional residual block with hidden dimension 128, trained to repair corrupted time series windows and scored at inference by a fixed, parameter-free structural discrepancy function. Despite using no attention, no latent variable, and no adversarial component, JuRe ranks second on the TSB-AD multivariate benchmark (AUC-PR 0.404, 180 series, 17 datasets) and second on the UCR univariate archive by AUC-PR (0.198, 250 series), leading all neural baselines on AUC-PR and VUS-PR. Component ablation on TSB-AD identifies training-time corruption as the dominant factor (ΔAUC-PR = 0.047 on removal), confirming that the denoising objective, not network capacity, drives detection quality. Pairwise Wilcoxon signed-rank tests establish statistical significance against 21 of 25 baselines on TSB-AD. Code is available at the URL https://github.com/iis-esslingen/JuRe.

We introduce the task of Visual Dialog, which requires an AI agent to hold a meaningful dialog with humans in natural, conversational language about visual content. Specifically, given an image, a dialog history, and a question about the image, the agent has to ground the question in image, infer context from history, and answer the question accurately. Visual Dialog is disentangled enough from a specific downstream task so as to serve as a general test of machine intelligence, while being grounded in vision enough to allow objective evaluation of individual responses and benchmark progress. We develop a novel two-person chat data-collection protocol to curate a large-scale Visual Dialog dataset (VisDial). VisDial v0.9 has been released and contains 1 dialog with 10 question-answer pairs on ~120k images from COCO, with a total of ~1.2M dialog question-answer pairs. We introduce a family of neural encoder-decoder models for Visual Dialog with 3 encoders -- Late Fusion, Hierarchical Recurrent Encoder and Memory Network -- and 2 decoders (generative and discriminative), which outperform a number of sophisticated baselines. We propose a retrieval-based evaluation protocol for Visual Dialog where the AI agent is asked to sort a set of candidate answers and evaluated on metrics such as mean-reciprocal-rank of human response. We quantify gap between machine and human performance on the Visual Dialog task via human studies. Putting it all together, we demonstrate the first 'visual chatbot'! Our dataset, code, trained models and visual chatbot are available on https://visualdialog.org

Recently, there has been an increasing interest in (supervised) learning with graph data, especially using graph neural networks. However, the development of meaningful benchmark datasets and standardized evaluation procedures is lagging, consequently hindering advancements in this area. To address this, we introduce the TUDataset for graph classification and regression. The collection consists of over 120 datasets of varying sizes from a wide range of applications. We provide Python-based data loaders, kernel and graph neural network baseline implementations, and evaluation tools. Here, we give an overview of the datasets, standardized evaluation procedures, and provide baseline experiments. All datasets are available at www.graphlearning.io. The experiments are fully reproducible from the code available at www.github.com/chrsmrrs/tudataset.

This report presents the dataset and the evaluation setup of the Sound Event Localization & Detection (SELD) task for the DCASE 2020 Challenge. The SELD task refers to the problem of trying to simultaneously classify a known set of sound event classes, detect their temporal activations, and estimate their spatial directions or locations while they are active. To train and test SELD systems, datasets of diverse sound events occurring under realistic acoustic conditions are needed. Compared to the previous challenge, a significantly more complex dataset was created for DCASE 2020. The two key differences are a more diverse range of acoustical conditions, and dynamic conditions, i.e. moving sources. The spatial sound scenes are created using real room impulse responses captured in a continuous manner with a slowly moving excitation source. Both static and moving sound events are synthesized from them. Ambient noise recorded on location is added to complete the generation of scene recordings. A baseline SELD method accompanies the dataset, based on a convolutional recurrent neural network, to provide benchmark scores for the task. The baseline is an updated version of the one used in the previous challenge, with input features and training modifications to improve its performance.

Tabular data prediction is a fundamental machine learning task for many applications. Existing methods predominantly employ discriminative modeling and operate under the assumption of a fixed target column, necessitating re-training for every new predictive task. Inspired by the generative power of large language models (LLMs), this paper exploits the idea of building universal tabular data predictors based on generative modeling, namely UniPredict. Here, we demonstrate the scalability of an LLM to extensive tabular datasets, enabling it to comprehend diverse tabular inputs and predict target variables following the provided instructions. Specifically, we train a single LLM on an aggregation of 169 tabular datasets with diverse targets and compare its performance against baselines that are trained on each dataset separately. We observe this versatile UniPredict model demonstrates an advantage over other models, ranging from 5.4% to 13.4%, when compared with the best tree-boosting baseline and the best neural network baseline, respectively. We further test UniPredict in few-shot learning settings on another 62 tabular datasets. Our method achieves strong performance in quickly adapting to new tasks. In low-resource few-shot setup, we observed a 100%+ performance advantage compared with XGBoost, and significant margin over all baselines. We envision that UniPredict sheds light on developing a universal tabular data prediction system that learns from data at scale and serves a wide range of prediction tasks.

The RNA structure-function relationship has recently garnered significant attention within the deep learning community, promising to grow in importance as nucleic acid structure models advance. However, the absence of standardized and accessible benchmarks for deep learning on RNA 3D structures has impeded the development of models for RNA functional characteristics. In this work, we introduce a set of seven benchmarking datasets for RNA structure-function prediction, designed to address this gap. Our library builds on the established Python library rnaglib, and offers easy data distribution and encoding, splitters and evaluation methods, providing a convenient all-in-one framework for comparing models. Datasets are implemented in a fully modular and reproducible manner, facilitating for community contributions and customization. Finally, we provide initial baseline results for all tasks using a graph neural network. Source code: https://github.com/cgoliver/rnaglib Documentation: https://rnaglib.org

As large language models (LLMs) become increasingly prevalent, reliable methods for detecting AI-generated text are critical for mitigating potential risks. We introduce DependencyAI, a simple and interpretable approach for detecting AI-generated text using only the labels of linguistic dependency relations. Our method achieves competitive performance across monolingual, multi-generator, and multilingual settings. To increase interpretability, we analyze feature importance to reveal syntactic structures that distinguish AI-generated from human-written text. We also observe a systematic overprediction of certain models on unseen domains, suggesting that generator-specific writing styles may affect cross-domain generalization. Overall, our results demonstrate that dependency relations alone provide a robust signal for AI-generated text detection, establishing DependencyAI as a strong linguistically grounded, interpretable, and non-neural network baseline.

Antibodies have become an important class of therapeutic agents to treat human diseases. To accelerate therapeutic antibody discovery, computational methods, especially machine learning, have attracted considerable interest for predicting specific interactions between antibody candidates and target antigens such as viruses and bacteria. However, the publicly available datasets in existing works have notable limitations, such as small sizes and the lack of non-binding samples and exact amino acid sequences. To overcome these limitations, we have developed AVIDa-hIL6, a large-scale dataset for predicting antigen-antibody interactions in the variable domain of heavy chain of heavy chain antibodies (VHHs), produced from an alpaca immunized with the human interleukin-6 (IL-6) protein, as antigens. By leveraging the simple structure of VHHs, which facilitates identification of full-length amino acid sequences by DNA sequencing technology, AVIDa-hIL6 contains 573,891 antigen-VHH pairs with amino acid sequences. All the antigen-VHH pairs have reliable labels for binding or non-binding, as generated by a novel labeling method. Furthermore, via introduction of artificial mutations, AVIDa-hIL6 contains 30 different mutants in addition to wild-type IL-6 protein. This characteristic provides opportunities to develop machine learning models for predicting changes in antibody binding by antigen mutations. We report experimental benchmark results on AVIDa-hIL6 by using neural network-based baseline models. The results indicate that the existing models have potential, but further research is needed to generalize them to predict effective antibodies against unknown mutants. The dataset is available at https://avida-hil6.cognanous.com.

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.

Brain MRIs are routinely acquired as multiple complementary sequences with unique contrast weighting, including T1-weighed imaging (T1w) anatomic and fluid-sensitive T2-weighted (T2w) contrasts. However, methods for learning unified representations across the multitude of MRI contrast mechanisms at health-system scale are lacking. In this study, we introduce Neuro-JEPA, a sparse multimodal neuroimaging foundation model that combines a latent predictive objective with a Mixture-of-Experts architecture to encode brain MRI across core T1w, T2w, and fluid-suppressed FLAIR imaging (FLAIR). We further provide a systematic methodological study of architectural, masking, objective, and sparsity design choices beneficial for robust neuroimaging multimodal representation learning. Neuro-JEPA was pretrained on 1,551,862 scans from 428,647 studies after modality-specific preprocessing with data curation across three core structural brain MRI sequences. We evaluated the learned representations across clinical and research settings, including 25 tasks from three health systems: NYU Langone, NYU Long Island, and Massachusetts General Hospital, and 22 tasks from 12 public datasets, covering unimodal, multimodal and cross-domain evaluation configurations. Across these benchmarks, existing neuroimaging foundation models showed inconsistent gains over a simple convolutional neural network (CNN) baseline, whereas Neuro-JEPA achieved stronger and more consistent performance across all evaluated settings. These results establish a scalable methodological framework for multimodal neuroimaging representation learning and highlight the need for foundation model evaluation protocols that include simple baselines, clinically heterogeneous cohorts and controlled multimodal comparisons.

Image captioning is a crucial task with applications in a wide range of domains, including healthcare and education. Despite extensive research on English image captioning datasets, the availability of such datasets for Vietnamese remains limited, with only two existing datasets. In this study, we introduce KTVIC, a comprehensive Vietnamese Image Captioning dataset focused on the life domain, covering a wide range of daily activities. This dataset comprises 4,327 images and 21,635 Vietnamese captions, serving as a valuable resource for advancing image captioning in the Vietnamese language. We conduct experiments using various deep neural networks as the baselines on our dataset, evaluating them using the standard image captioning metrics, including BLEU, METEOR, CIDEr, and ROUGE. Our findings underscore the effectiveness of the proposed dataset and its potential contributions to the field of image captioning in the Vietnamese context.

We introduce the Burmese Handwritten Digit Dataset (BHDD), a collection of 87,561 grayscale images of handwritten Burmese digits in ten classes. Each image is 28x28 pixels, following the MNIST format. The training set has 60,000 samples split evenly across classes; the test set has 27,561 samples with class frequencies as they arose during collection. Over 150 people of different ages and backgrounds contributed samples. We analyze the dataset's class distribution, pixel statistics, and morphological variation, and identify digit pairs that are easily confused due to the round shapes of the Myanmar script. Simple baselines (an MLP, a two-layer CNN, and an improved CNN with batch normalization and augmentation) reach 99.40%, 99.75%, and 99.83% test accuracy respectively. BHDD is available under CC BY-SA 4.0 at https://github.com/baseresearch/BHDD

In this paper we describe the SOREL-20M (Sophos/ReversingLabs-20 Million) dataset: a large-scale dataset consisting of nearly 20 million files with pre-extracted features and metadata, high-quality labels derived from multiple sources, information about vendor detections of the malware samples at the time of collection, and additional ``tags'' related to each malware sample to serve as additional targets. In addition to features and metadata, we also provide approximately 10 million ``disarmed'' malware samples -- samples with both the optional\_headers.subsystem and file\_header.machine flags set to zero -- that may be used for further exploration of features and detection strategies. We also provide Python code to interact with the data and features, as well as baseline neural network and gradient boosted decision tree models and their results, with full training and evaluation code, to serve as a starting point for further experimentation.

This paper presents the sound event localization and detection (SELD) task setup for the DCASE 2019 challenge. The goal of the SELD task is to detect the temporal activities of a known set of sound event classes, and further localize them in space when active. As part of the challenge, a synthesized dataset with each sound event associated with a spatial coordinate represented using azimuth and elevation angles is provided. These sound events are spatialized using real-life impulse responses collected at multiple spatial coordinates in five different rooms with varying dimensions and material properties. A baseline SELD method employing a convolutional recurrent neural network is used to generate benchmark scores for this reverberant dataset. The benchmark scores are obtained using the recommended cross-validation setup.

Training algorithms, broadly construed, are an essential part of every deep learning pipeline. Training algorithm improvements that speed up training across a wide variety of workloads (e.g., better update rules, tuning protocols, learning rate schedules, or data selection schemes) could save time, save computational resources, and lead to better, more accurate, models. Unfortunately, as a community, we are currently unable to reliably identify training algorithm improvements, or even determine the state-of-the-art training algorithm. In this work, using concrete experiments, we argue that real progress in speeding up training requires new benchmarks that resolve three basic challenges faced by empirical comparisons of training algorithms: (1) how to decide when training is complete and precisely measure training time, (2) how to handle the sensitivity of measurements to exact workload details, and (3) how to fairly compare algorithms that require hyperparameter tuning. In order to address these challenges, we introduce a new, competitive, time-to-result benchmark using multiple workloads running on fixed hardware, the AlgoPerf: Training Algorithms benchmark. Our benchmark includes a set of workload variants that make it possible to detect benchmark submissions that are more robust to workload changes than current widely-used methods. Finally, we evaluate baseline submissions constructed using various optimizers that represent current practice, as well as other optimizers that have recently received attention in the literature. These baseline results collectively demonstrate the feasibility of our benchmark, show that non-trivial gaps between methods exist, and set a provisional state-of-the-art for future benchmark submissions to try and surpass.

Nowadays, graph-structured data are increasingly used to model complex systems. Meanwhile, detecting anomalies from graph has become a vital research problem of pressing societal concerns. Anomaly detection is an unsupervised learning task of identifying rare data that differ from the majority. As one of the dominant anomaly detection algorithms, One Class Support Vector Machine has been widely used to detect outliers. However, those traditional anomaly detection methods lost their effectiveness in graph data. Since traditional anomaly detection methods are stable, robust and easy to use, it is vitally important to generalize them to graph data. In this work, we propose One Class Graph Neural Network (OCGNN), a one-class classification framework for graph anomaly detection. OCGNN is designed to combine the powerful representation ability of Graph Neural Networks along with the classical one-class objective. Compared with other baselines, OCGNN achieves significant improvements in extensive experiments.

Binary Neural Networks (BNNs) have emerged as a promising solution for reducing the memory footprint and compute costs of deep neural networks. BNNs, on the other hand, suffer from information loss because binary activations are limited to only two values, resulting in reduced accuracy. To improve the accuracy, previous studies have attempted to control the distribution of binary activation by manually shifting the threshold of the activation function or making the shift amount trainable. During the process, they usually depended on statistical information computed from a batch. We argue that using statistical data from a batch fails to capture the crucial information for each input instance in BNN computations, and the differences between statistical information computed from each instance need to be considered when determining the binary activation threshold of each instance. Based on the concept, we propose the Binary Neural Network with INSTAnce-aware threshold (INSTA-BNN), which decides the activation threshold value considering the difference between statistical data computed from a batch and each instance. The proposed INSTA-BNN outperforms the baseline by 2.5% and 2.3% on the ImageNet classification task with comparable computing cost, achieving 68.0% and 71.7% top-1 accuracy on ResNet-18 and MobileNetV1 based models, respectively.

Graph-based learning has emerged as a transformative approach for modeling complex relationships across diverse domains, yet its potential in wireless security remains largely unexplored. In this work, we introduce the first application of graph-based learning for jamming source localization, addressing the imminent threat of jamming attacks in wireless networks. Unlike geometric optimization techniques that struggle under environmental uncertainties and dense interference, we reformulate localization as an inductive graph regression task. Our approach integrates structured node representations that encode local and global signal aggregation, ensuring spatial coherence and adaptive signal fusion. To enhance robustness, we incorporate an attention-based graph neural network that adaptively refines neighborhood influence and introduces a confidence-guided estimation mechanism that dynamically balances learned predictions with domain-informed priors. We evaluate our approach under complex radio frequency environments with varying sampling densities and signal propagation conditions, conducting comprehensive ablation studies on graph construction, feature selection, and pooling strategies. Results demonstrate that our novel graph-based learning framework significantly outperforms established localization baselines, particularly in challenging scenarios with sparse and obfuscated signal information. Code is available at [https://github.com/daniaherzalla/gnn-jamming-source-localization](https://github.com/daniaherzalla/gnn-jamming-source-localization).

We propose ArtSAGENet, a novel multimodal architecture that integrates Graph Neural Networks (GNNs) and Convolutional Neural Networks (CNNs), to jointly learn visual and semantic-based artistic representations. First, we illustrate the significant advantages of multi-task learning for fine art analysis and argue that it is conceptually a much more appropriate setting in the fine art domain than the single-task alternatives. We further demonstrate that several GNN architectures can outperform strong CNN baselines in a range of fine art analysis tasks, such as style classification, artist attribution, creation period estimation, and tag prediction, while training them requires an order of magnitude less computational time and only a small amount of labeled data. Finally, through extensive experimentation we show that our proposed ArtSAGENet captures and encodes valuable relational dependencies between the artists and the artworks, surpassing the performance of traditional methods that rely solely on the analysis of visual content. Our findings underline a great potential of integrating visual content and semantics for fine art analysis and curation.

Online social media works as a source of various valuable and actionable information during disasters. These information might be available in multiple languages due to the nature of user generated content. An effective system to automatically identify and categorize these actionable information should be capable to handle multiple languages and under limited supervision. However, existing works mostly focus on English language only with the assumption that sufficient labeled data is available. To overcome these challenges, we propose a multilingual disaster related text classification system which is capable to work under \{mono, cross and multi\} lingual scenarios and under limited supervision. Our end-to-end trainable framework combines the versatility of graph neural networks, by applying over the corpus, with the power of transformer based large language models, over examples, with the help of cross-attention between the two. We evaluate our framework over total nine English, Non-English and monolingual datasets in \{mono, cross and multi\} lingual classification scenarios. Our framework outperforms state-of-the-art models in disaster domain and multilingual BERT baseline in terms of Weighted F_1 score. We also show the generalizability of the proposed model under limited supervision.

Pruning neural networks has become popular in the last decade when it was shown that a large number of weights can be safely removed from modern neural networks without compromising accuracy. Numerous pruning methods have been proposed since then, each claiming to be better than the previous. Many state-of-the-art (SOTA) techniques today rely on complex pruning methodologies utilizing importance scores, getting feedback through back-propagation or having heuristics-based pruning rules amongst others. In this work, we question whether this pattern of introducing complexity is really necessary to achieve better pruning results. We benchmark these SOTA techniques against a naive pruning baseline, namely, Global Magnitude Pruning (Global MP). Global MP ranks weights in order of their magnitudes and prunes the smallest ones. Hence, in its vanilla form, it is one of the simplest pruning techniques. Surprisingly, we find that vanilla Global MP outperforms all the other SOTA techniques and achieves a new SOTA result. It also achieves promising performance on FLOPs sparsification, which we find is enhanced, when pruning is conducted in a gradual fashion. We also find that Global MP is generalizable across tasks, datasets, and models with superior performance. Moreover, a common issue that many pruning algorithms run into at high sparsity rates, namely, layer-collapse, can be easily fixed in Global MP by setting a minimum threshold of weights to be retained in each layer. Lastly, unlike many other SOTA techniques, Global MP does not require any additional algorithm specific hyper-parameters and is very straightforward to tune and implement. We showcase our findings on various models (WRN-28-8, ResNet-32, ResNet-50, MobileNet-V1 and FastGRNN) and multiple datasets (CIFAR-10, ImageNet and HAR-2). Code is available at https://github.com/manasgupta-1/GlobalMP.

Pronounced as "musician", the musicnn library contains a set of pre-trained musically motivated convolutional neural networks for music audio tagging: https://github.com/jordipons/musicnn. This repository also includes some pre-trained vgg-like baselines. These models can be used as out-of-the-box music audio taggers, as music feature extractors, or as pre-trained models for transfer learning. We also provide the code to train the aforementioned models: https://github.com/jordipons/musicnn-training. This framework also allows implementing novel models. For example, a musically motivated convolutional neural network with an attention-based output layer (instead of the temporal pooling layer) can achieve state-of-the-art results for music audio tagging: 90.77 ROC-AUC / 38.61 PR-AUC on the MagnaTagATune dataset --- and 88.81 ROC-AUC / 31.51 PR-AUC on the Million Song Dataset.

Graphs are essential data structures for modeling complex interactions in domains such as social networks, molecular structures, and biological systems. Graph-level tasks, which predict properties or classes for the entire graph, are critical for applications, such as molecular property prediction and subgraph counting. Graph Neural Networks (GNNs) have shown promise in these tasks, but their evaluations are often limited to narrow datasets, tasks, and inconsistent experimental setups, restricting their generalizability. To address these limitations, we propose a unified evaluation framework for graph-level GNNs. This framework provides a standardized setting to evaluate GNNs across diverse datasets, various graph tasks (e.g., graph classification and regression), and challenging scenarios, including noisy, imbalanced, and few-shot graphs. Additionally, we propose a novel GNN model with enhanced expressivity and generalization capabilities. Specifically, we enhance the expressivity of GNNs through a k-path rooted subgraph approach, enabling the model to effectively count subgraphs (e.g., paths and cycles). Moreover, we introduce a unified graph contrastive learning algorithm for graphs across diverse domains, which adaptively removes unimportant edges to augment graphs, thereby significantly improving generalization performance. Extensive experiments demonstrate that our model achieves superior performance against fourteen effective baselines across twenty-seven graph datasets, establishing it as a robust and generalizable model for graph-level tasks.

Purpose: Accurate segmentation of clinical target volumes (CTV) and organs-at-risk is crucial for optimizing gynecologic brachytherapy (GYN-BT) treatment planning. However, anatomical variability, low soft-tissue contrast in CT imaging, and limited annotated datasets pose significant challenges. This study presents GynBTNet, a novel multi-stage learning framework designed to enhance segmentation performance through self-supervised pretraining and hierarchical fine-tuning strategies. Methods: GynBTNet employs a three-stage training strategy: (1) self-supervised pretraining on large-scale CT datasets using sparse submanifold convolution to capture robust anatomical representations, (2) supervised fine-tuning on a comprehensive multi-organ segmentation dataset to refine feature extraction, and (3) task-specific fine-tuning on a dedicated GYN-BT dataset to optimize segmentation performance for clinical applications. The model was evaluated against state-of-the-art methods using the Dice Similarity Coefficient (DSC), 95th percentile Hausdorff Distance (HD95), and Average Surface Distance (ASD). Results: Our GynBTNet achieved superior segmentation performance, significantly outperforming nnU-Net and Swin-UNETR. Notably, it yielded a DSC of 0.837 +/- 0.068 for CTV, 0.940 +/- 0.052 for the bladder, 0.842 +/- 0.070 for the rectum, and 0.871 +/- 0.047 for the uterus, with reduced HD95 and ASD compared to baseline models. Self-supervised pretraining led to consistent performance improvements, particularly for structures with complex boundaries. However, segmentation of the sigmoid colon remained challenging, likely due to anatomical ambiguities and inter-patient variability. Statistical significance analysis confirmed that GynBTNet's improvements were significant compared to baseline models.

We introduce WARP (Weight-space Adaptive Recurrent Prediction), a simple yet powerful model that unifies weight-space learning with linear recurrence to redefine sequence modeling. Unlike conventional recurrent neural networks (RNNs) which collapse temporal dynamics into fixed-dimensional hidden states, WARP explicitly parametrizes its hidden state as the weights and biases of a distinct auxiliary neural network, and uses input differences to drive its recurrence. This brain-inspired formulation enables efficient gradient-free adaptation of the auxiliary network at test-time, in-context learning abilities, and seamless integration of domain-specific physical priors. Empirical validation shows that WARP matches or surpasses state-of-the-art baselines on diverse classification tasks, featuring in the top three in 5 out of 6 real-world challenging datasets. Furthermore, extensive experiments across sequential image completion, multivariate time series forecasting, and dynamical system reconstruction demonstrate its expressiveness and generalisation capabilities. Remarkably, a physics-informed variant of our model outperforms the next best model by more than 10x. Ablation studies confirm the architectural necessity of key components, solidifying weight-space linear RNNs as a transformative paradigm for adaptive machine intelligence.

Message passing neural networks (MPNNs) have emerged as go-to models for learning on graph-structured data in the past decade. Despite their effectiveness, most of such models still incur severe issues such as over-smoothing and -correlation, due to their underlying objective of minimizing the Dirichlet energy and the derived neighborhood aggregation operations. In this paper, we propose the DDSM, a new MPNN model built on an optimization framework that includes the stress majorization and orthogonal regularization for overcoming the above issues. Further, we introduce the diffusion distances for nodes into the framework to guide the new message passing operations and develop efficient algorithms for distance approximations, both backed by rigorous theoretical analyses. Our comprehensive experiments showcase that DDSM consistently and considerably outperforms 15 strong baselines on both homophilic and heterophilic graphs.

Multi-agent reinforcement learning (MARL) has emerged as a powerful paradigm for coordinating swarms of agents in complex decision-making, yet major challenges remain. In competitive settings such as pursuer-evader tasks, simultaneous adaptation can destabilize training; non-kinetic countermeasures often fail under adverse conditions; and policies trained in one configuration rarely generalize to environments with a different number of agents. To address these issues, we propose the Local-Canonicalization Equivariant Graph Neural Networks (LEGO) framework, which integrates seamlessly with popular MARL algorithms such as MAPPO. LEGO employs graph neural networks to capture permutation equivariance and generalization to different agent numbers, canonicalization to enforce E(n)-equivariance, and heterogeneous representations to encode role-specific inductive biases. Experiments on cooperative and competitive swarm benchmarks show that LEGO outperforms strong baselines and improves generalization. In real-world experiments, LEGO demonstrates robustness to varying team sizes and agent failure.

Neural vocoders have recently advanced waveform generation, yielding natural and expressive audio. Among these approaches, iSTFT-based vocoders have recently gained attention. They predict a complex-valued spectrogram and then synthesize the waveform via iSTFT, thereby avoiding learned upsampling stages that can increase computational cost. However, current approaches use real-valued networks that process the real and imaginary parts independently. This separation limits their ability to capture the inherent structure of complex spectrograms. We present ComVo, a Complex-valued neural Vocoder whose generator and discriminator use native complex arithmetic. This enables an adversarial training framework that provides structured feedback in complex-valued representations. To guide phase transformations in a structured manner, we introduce phase quantization, which discretizes phase values and regularizes the training process. Finally, we propose a block-matrix computation scheme to improve training efficiency by reducing redundant operations. Experiments demonstrate that ComVo achieves higher synthesis quality than comparable real-valued baselines, and that its block-matrix scheme reduces training time by 25%. Audio samples and code are available at https://hs-oh-prml.github.io/ComVo/.

Hardware faults can flip bits in the stored weights of a quantized neural network, potentially compromising its predictions. While such faults typically affect multiple parameters simultaneously, existing verifiers are limited to single-parameter perturbations due to the combinatorial explosion of possible flip locations in large networks. We present mBFV (m-BitFlip Verifier), an efficient verification framework that proves robustness against simultaneous bit flips across multiple parameters without explicitly enumerating these combinations. mBFV achieves this via a novel multi-parameter bound propagation technique that directly aggregates the m worst-case contributions. To further tighten these bounds, mBFV employs a branch-and-bound mechanism over perturbation locations, partitioning the potential flips to smaller groups of neurons. Evaluated on 625 instances, mBFV successfully verifies 293, significantly outperforming a prior single-parameter verifier (38 verified instances) and an exact mixed-integer linear programming baseline (0 verified instances). Notably, while these baselines are restricted to single-parameter flips on small networks (up to 13k parameters), mBFV scales to verify networks with up to 1.15M parameters against up to four simultaneous parameter flips.

As its width tends to infinity, a deep neural network's behavior under gradient descent can become simplified and predictable (e.g. given by the Neural Tangent Kernel (NTK)), if it is parametrized appropriately (e.g. the NTK parametrization). However, we show that the standard and NTK parametrizations of a neural network do not admit infinite-width limits that can learn features, which is crucial for pretraining and transfer learning such as with BERT. We propose simple modifications to the standard parametrization to allow for feature learning in the limit. Using the *Tensor Programs* technique, we derive explicit formulas for such limits. On Word2Vec and few-shot learning on Omniglot via MAML, two canonical tasks that rely crucially on feature learning, we compute these limits exactly. We find that they outperform both NTK baselines and finite-width networks, with the latter approaching the infinite-width feature learning performance as width increases. More generally, we classify a natural space of neural network parametrizations that generalizes standard, NTK, and Mean Field parametrizations. We show 1) any parametrization in this space either admits feature learning or has an infinite-width training dynamics given by kernel gradient descent, but not both; 2) any such infinite-width limit can be computed using the Tensor Programs technique. Code for our experiments can be found at github.com/edwardjhu/TP4.

The ability to accurately represent sentences is central to language understanding. We describe a convolutional architecture dubbed the Dynamic Convolutional Neural Network (DCNN) that we adopt for the semantic modelling of sentences. The network uses Dynamic k-Max Pooling, a global pooling operation over linear sequences. The network handles input sentences of varying length and induces a feature graph over the sentence that is capable of explicitly capturing short and long-range relations. The network does not rely on a parse tree and is easily applicable to any language. We test the DCNN in four experiments: small scale binary and multi-class sentiment prediction, six-way question classification and Twitter sentiment prediction by distant supervision. The network achieves excellent performance in the first three tasks and a greater than 25% error reduction in the last task with respect to the strongest baseline.

Learning to solve complex sequences of tasks--while both leveraging transfer and avoiding catastrophic forgetting--remains a key obstacle to achieving human-level intelligence. The progressive networks approach represents a step forward in this direction: they are immune to forgetting and can leverage prior knowledge via lateral connections to previously learned features. We evaluate this architecture extensively on a wide variety of reinforcement learning tasks (Atari and 3D maze games), and show that it outperforms common baselines based on pretraining and finetuning. Using a novel sensitivity measure, we demonstrate that transfer occurs at both low-level sensory and high-level control layers of the learned policy.

Graph neural networks have moved from a niche representation-learning technique to the default model class wherever data carry relational structure. The interesting question is no longer whether message passing helps on a given dataset, but where graph structure earns its computational cost and where it does not. This survey organises the field around a single design space, derives the spectral and spatial formulations from shared first principles, and connects expressive power to the Weisfeiler-Leman hierarchy with explicit statements of what current architectures can and cannot separate. Against that methodological backbone we examine twelve application domains, among them recommendation and social networks, knowledge graphs and language-model integration, drug discovery and molecular property learning, healthcare and neuroscience, computer vision, traffic and urban computing, power and renewable-energy systems, wireless and sixth-generation networks, fraud and cybersecurity, industrial prognostics, materials science, and climate modelling. For each domain we specify the graph-construction choices and their costs, identify which architecture families dominate and why, and separate reported gains from artefacts of weak baselines or favourable splits. A cross-domain comparison exposes recurring patterns: heterophily and scale undercut the same models almost everywhere, temporal graphs remain harder than their static counterparts, and the architectures that top public leaderboards are seldom the ones that reach deployment. We treat over-smoothing, over-squashing, robustness, distribution shift, fairness, and explainability not as a closing checklist but as the constraints that decide adoption.

Graph Neural Networks (GNNs) have been widely applied to different tasks such as bioinformatics, drug design, and social networks. However, recent studies have shown that GNNs are vulnerable to adversarial attacks which aim to mislead the node or subgraph classification prediction by adding subtle perturbations. Detecting these attacks is challenging due to the small magnitude of perturbation and the discrete nature of graph data. In this paper, we propose a general adversarial edge detection pipeline EDoG without requiring knowledge of the attack strategies based on graph generation. Specifically, we propose a novel graph generation approach combined with link prediction to detect suspicious adversarial edges. To effectively train the graph generative model, we sample several sub-graphs from the given graph data. We show that since the number of adversarial edges is usually low in practice, with low probability the sampled sub-graphs will contain adversarial edges based on the union bound. In addition, considering the strong attacks which perturb a large number of edges, we propose a set of novel features to perform outlier detection as the preprocessing for our detection. Extensive experimental results on three real-world graph datasets including a private transaction rule dataset from a major company and two types of synthetic graphs with controlled properties show that EDoG can achieve above 0.8 AUC against four state-of-the-art unseen attack strategies without requiring any knowledge about the attack type; and around 0.85 with knowledge of the attack type. EDoG significantly outperforms traditional malicious edge detection baselines. We also show that an adaptive attack with full knowledge of our detection pipeline is difficult to bypass it.

Graph Neural Networks (GNNs) have greatly advanced the semi-supervised node classification task on graphs. The majority of existing GNNs are trained in an end-to-end manner that can be viewed as tackling a bi-level optimization problem. This process is often inefficient in computation and memory usage. In this work, we propose a new optimization framework for semi-supervised learning on graphs. The proposed framework can be conveniently solved by the alternating optimization algorithms, resulting in significantly improved efficiency. Extensive experiments demonstrate that the proposed method can achieve comparable or better performance with state-of-the-art baselines while it has significantly better computation and memory efficiency.

Discrete event sequences are ubiquitous, such as an ordered event series of process interactions in Information and Communication Technology systems. Recent years have witnessed increasing efforts in detecting anomalies with discrete-event sequences. However, it still remains an extremely difficult task due to several intrinsic challenges including data imbalance issues, the discrete property of the events, and sequential nature of the data. To address these challenges, in this paper, we propose OC4Seq, a multi-scale one-class recurrent neural network for detecting anomalies in discrete event sequences. Specifically, OC4Seq integrates the anomaly detection objective with recurrent neural networks (RNNs) to embed the discrete event sequences into latent spaces, where anomalies can be easily detected. In addition, given that an anomalous sequence could be caused by either individual events, subsequences of events, or the whole sequence, we design a multi-scale RNN framework to capture different levels of sequential patterns simultaneously. Experimental results on three benchmark datasets show that OC4Seq consistently outperforms various representative baselines by a large margin. Moreover, through both quantitative and qualitative analysis, the importance of capturing multi-scale sequential patterns for event anomaly detection is verified.

Sarcasm Detection has enjoyed great interest from the research community, however the task of predicting sarcasm in a text remains an elusive problem for machines. Past studies mostly make use of twitter datasets collected using hashtag based supervision but such datasets are noisy in terms of labels and language. To overcome these shortcoming, we introduce a new dataset which contains news headlines from a sarcastic news website and a real news website. Next, we propose a hybrid Neural Network architecture with attention mechanism which provides insights about what actually makes sentences sarcastic. Through experiments, we show that the proposed model improves upon the baseline by ~ 5% in terms of classification accuracy.

Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by using graph structures based on the relational inductive bias (homophily assumption). While GNNs have been commonly believed to outperform NNs in real-world tasks, recent work has identified a non-trivial set of datasets where their performance compared to NNs is not satisfactory. Heterophily has been considered the main cause of this empirical observation and numerous works have been put forward to address it. In this paper, we first revisit the widely used homophily metrics and point out that their consideration of only graph-label consistency is a shortcoming. Then, we study heterophily from the perspective of post-aggregation node similarity and define new homophily metrics, which are potentially advantageous compared to existing ones. Based on this investigation, we prove that some harmful cases of heterophily can be effectively addressed by local diversification operation. Then, we propose the Adaptive Channel Mixing (ACM), a framework to adaptively exploit aggregation, diversification and identity channels node-wisely to extract richer localized information for diverse node heterophily situations. ACM is more powerful than the commonly used uni-channel framework for node classification tasks on heterophilic graphs and is easy to be implemented in baseline GNN layers. When evaluated on 10 benchmark node classification tasks, ACM-augmented baselines consistently achieve significant performance gain, exceeding state-of-the-art GNNs on most tasks without incurring significant computational burden.

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

Biological neurons transmit information with stereotyped electrical impulses called ``spikes'', sensitive to coincident timings. Spiking Neural Networks (SNNs), introduced in the nineties, have gained popularity in AI for their energy efficiency and competitive performance with deep learning. Among them, Recurrent SNNs (RSNNs) are particularly appealing for their ability to learn long-term dependencies and exhibit rich dynamics. In SNNs, each connection can have a weight and a transmission delay, both plastic in the brain. While theory has long suggested that trainable delays enhance a network's expressivity, practical learning methods emerged only recently and remain mostly limited to feedforward delays. Here, we introduce DelRec, the first method to jointly optimize recurrent delays with synaptic weights in RSNNs via surrogate gradient learning, compatible with any spiking neuron model. DelRec works in discrete time, leveraging differentiable interpolation to handle non-integer delays with well-defined gradients at training time. Using simple neurons, DelRec outperforms all baselines on a chaotic time-series prediction task, and achieves competitive performance on four challenging temporal datasets. Analysis of trained networks show that recurrent delay optimization builds structured, depth-dependent spatio-temporal receptive fields that the network actively exploits, with delay-weight joint optimization reshaping temporal selectivity. Beyond accuracy, we show that recurrent delay learning can reduce the memory footprint and energy consumption of a network, and shapes its robustness to temporal perturbations of its inputs. This work establishes recurrent delay optimization as a promising framework for both biological circuit modeling and neuromorphic computing.

Spiking Neural Networks (SNNs) are well known as a promising energy-efficient alternative to conventional artificial neural networks. Subject to the preconceived impression that SNNs are sparse firing, the analysis and optimization of inherent redundancy in SNNs have been largely overlooked, thus the potential advantages of spike-based neuromorphic computing in accuracy and energy efficiency are interfered. In this work, we pose and focus on three key questions regarding the inherent redundancy in SNNs. We argue that the redundancy is induced by the spatio-temporal invariance of SNNs, which enhances the efficiency of parameter utilization but also invites lots of noise spikes. Further, we analyze the effect of spatio-temporal invariance on the spatio-temporal dynamics and spike firing of SNNs. Then, motivated by these analyses, we propose an Advance Spatial Attention (ASA) module to harness SNNs' redundancy, which can adaptively optimize their membrane potential distribution by a pair of individual spatial attention sub-modules. In this way, noise spike features are accurately regulated. Experimental results demonstrate that the proposed method can significantly drop the spike firing with better performance than state-of-the-art SNN baselines. Our code is available in https://github.com/BICLab/ASA-SNN.

Recent progress in Graph Neural Networks has resulted in wide adoption by many applications, including recommendation systems. The reason for Graph Neural Networks' superiority over other approaches is that many problems in recommendation systems can be naturally modeled as graphs, where nodes can be either users or items and edges represent preference relationships. In current Graph Neural Network approaches, nodes are represented with a static vector learned at training time. This static vector might only be suitable to capture some of the nuances of users or items they define. To overcome this limitation, we propose using a recently proposed model inspired by category theory: Sheaf Neural Networks. Sheaf Neural Networks, and its connected Laplacian, can address the previous problem by associating every node (and edge) with a vector space instead than a single vector. The vector space representation is richer and allows picking the proper representation at inference time. This approach can be generalized for different related tasks on graphs and achieves state-of-the-art performance in terms of F1-Score@N in collaborative filtering and Hits@20 in link prediction. For collaborative filtering, the approach is evaluated on the MovieLens 100K with a 5.1% improvement, on MovieLens 1M with a 5.4% improvement and on Book-Crossing with a 2.8% improvement, while for link prediction on the ogbl-ddi dataset with a 1.6% refinement with respect to the respective baselines.

Due to the unprecedented success of deep learning, it has become an integral component in several multimedia computing applications in todays world. Unfortunately, deep learning systems are not perfect and can fail, sometimes abruptly, without prior warning or explanation. While reducing the error rate of deep neural networks has been the primary focus of the multimedia community, the problem of predicting when a deep learning system is going to fail has received significantly less research attention. In this paper, we propose a simple yet effective framework, MetaErr, to address this under-explored problem in deep learning research. We train a meta-model whose goal is to predict whether a base deep neural network will succeed or fail in predicting a particular data sample, by observing the base models performance on a given learning task. The meta-model is completely agnostic of the architecture and training parameters of the base model. Such an error prediction system can be immensely useful in a variety of smart multimedia applications. Our empirical studies corroborate the promise and potential of our framework against competing baselines. We further demonstrate the usefulness of our framework to improve the performance of pseudo-labeling-based semi-supervised learning, and show that MetaErr outperforms several strong baselines on three benchmark computer vision datasets.

Statutory article retrieval (SAR), the task of retrieving statute law articles relevant to a legal question, is a promising application of legal text processing. In particular, high-quality SAR systems can improve the work efficiency of legal professionals and provide basic legal assistance to citizens in need at no cost. Unlike traditional ad-hoc information retrieval, where each document is considered a complete source of information, SAR deals with texts whose full sense depends on complementary information from the topological organization of statute law. While existing works ignore these domain-specific dependencies, we propose a novel graph-augmented dense statute retriever (G-DSR) model that incorporates the structure of legislation via a graph neural network to improve dense retrieval performance. Experimental results show that our approach outperforms strong retrieval baselines on a real-world expert-annotated SAR dataset.

Deep Graph Neural Networks (GNNs) show promising performance on a range of graph tasks, yet at present are costly to run and lack many of the optimisations applied to DNNs. We show, for the first time, how to systematically quantise GNNs with minimal or no loss in performance using Network Architecture Search (NAS). We define the possible quantisation search space of GNNs. The proposed novel NAS mechanism, named Low Precision Graph NAS (LPGNAS), constrains both architecture and quantisation choices to be differentiable. LPGNAS learns the optimal architecture coupled with the best quantisation strategy for different components in the GNN automatically using back-propagation in a single search round. On eight different datasets, solving the task of classifying unseen nodes in a graph, LPGNAS generates quantised models with significant reductions in both model and buffer sizes but with similar accuracy to manually designed networks and other NAS results. In particular, on the Pubmed dataset, LPGNAS shows a better size-accuracy Pareto frontier compared to seven other manual and searched baselines, offering a 2.3 times reduction in model size but a 0.4% increase in accuracy when compared to the best NAS competitor. Finally, from our collected quantisation statistics on a wide range of datasets, we suggest a W4A8 (4-bit weights, 8-bit activations) quantisation strategy might be the bottleneck for naive GNN quantisations.

There is a recent surge in the development of spatio-temporal forecasting models in the transportation domain. Long-range traffic forecasting, however, remains a challenging task due to the intricate and extensive spatio-temporal correlations observed in traffic networks. Current works primarily rely on road networks with graph structures and learn representations using graph neural networks (GNNs), but this approach suffers from over-smoothing problem in deep architectures. To tackle this problem, recent methods introduced the combination of GNNs with residual connections or neural ordinary differential equations (ODE). However, current graph ODE models face two key limitations in feature extraction: (1) they lean towards global temporal patterns, overlooking local patterns that are important for unexpected events; and (2) they lack dynamic semantic edges in their architectural design. In this paper, we propose a novel architecture called Graph-based Multi-ODE Neural Networks (GRAM-ODE) which is designed with multiple connective ODE-GNN modules to learn better representations by capturing different views of complex local and global dynamic spatio-temporal dependencies. We also add some techniques like shared weights and divergence constraints into the intermediate layers of distinct ODE-GNN modules to further improve their communication towards the forecasting task. Our extensive set of experiments conducted on six real-world datasets demonstrate the superior performance of GRAM-ODE compared with state-of-the-art baselines as well as the contribution of different components to the overall performance. The code is available at https://github.com/zbliu98/GRAM-ODE

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

Understanding where people go after visiting one business is crucial for urban planning, retail analytics, and location-based services. However, predicting these co-visitation patterns across millions of venues remains challenging due to extreme data sparsity and the complex interplay between spatial proximity and business relationships. Traditional approaches using only geographic distance fail to capture why coffee shops attract different customer flows than fine dining restaurants, even when co-located. We introduce NAICS-aware GraphSAGE, a novel graph neural network that integrates business taxonomy knowledge through learnable embeddings to predict population-scale co-visitation patterns. Our key insight is that business semantics, captured through detailed industry codes, provide crucial signals that pure spatial models cannot explain. The approach scales to massive datasets (4.2 billion potential venue pairs) through efficient state-wise decomposition while combining spatial, temporal, and socioeconomic features in an end-to-end framework. Evaluated on our POI-Graph dataset comprising 94.9 million co-visitation records across 92,486 brands and 48 US states, our method achieves significant improvements over state-of-the-art baselines: the R-squared value increases from 0.243 to 0.625 (a 157 percent improvement), with strong gains in ranking quality (32 percent improvement in NDCG at 10).

Spiking Neural Networks (SNNs) offer energy-efficient, biologically plausible computation but suffer from non-differentiable spike generation, necessitating reliance on heuristic surrogate gradients. This paper introduces UltraLIF, a principled framework that replaces surrogate gradients with ultradiscretization, a mathematical formalism from tropical geometry providing continuous relaxations of discrete dynamics. The central insight is that the max-plus semiring underlying ultradiscretization naturally models neural threshold dynamics: the log-sum-exp function serves as a differentiable soft-maximum that converges to hard thresholding as a learnable temperature parameter eps to 0. Two neuron models are derived from distinct dynamical systems: UltraLIF from the LIF ordinary differential equation (temporal dynamics) and UltraDLIF from the diffusion equation modeling gap junction coupling across neuronal populations (spatial dynamics). Both yield fully differentiable SNNs trainable via standard backpropagation with no forward-backward mismatch. Theoretical analysis establishes pointwise convergence to classical LIF dynamics with quantitative error bounds and bounded non-vanishing gradients. Experiments on six benchmarks spanning static images, neuromorphic vision, and audio demonstrate improvements over surrogate gradient baselines, with gains most pronounced in single-timestep (T{=}1) settings on neuromorphic and temporal datasets. An optional sparsity penalty enables significant energy reduction while maintaining competitive accuracy.

Most real-world domains can be formulated as multi-agent (MA) systems. Intentionality sharing agents can solve more complex tasks by collaborating, possibly in less time. True cooperative actions are beneficial for egoistic and collective reasons. However, teaching individual agents to sacrifice egoistic benefits for a better collective performance seems challenging. We build on a recently proposed Multi-Agent Reinforcement Learning (MARL) mechanism with a Graph Neural Network (GNN) communication layer. Rarely chosen communication actions were marginally beneficial. Here we propose a MARL system in which agents can help collaborators perform better while risking low individual performance. We conduct our study in the context of resource distribution for wildfire management. Communicating environmental features and partially observable fire occurrence help the agent collective to pre-emptively distribute resources. Furthermore, we introduce a procedural training environment accommodating auto-curricula and open-endedness towards better generalizability. Our MA communication proposal outperforms a Greedy Heuristic Baseline and a Single-Agent (SA) setup. We further demonstrate how auto-curricula and openendedness improves generalizability of our MA proposal.

We propose a neural-network based survival model (SurvSurf) specifically designed for direct and simultaneous probabilistic prediction of the first hitting time of sequential events from baseline. Unlike existing models, SurvSurf is theoretically guaranteed to never violate the monotonic relationship between the cumulative incidence functions of sequential events, while allowing nonlinear influence from predictors. It also incorporates implicit truths for unobserved intermediate events in model fitting, and supports both discrete and continuous time and events. We also identified a variant of the Integrated Brier Score (IBS) that showed robust correlation with the mean squared error (MSE) between the true and predicted probabilities by accounting for implied truths about the missing intermediate events. We demonstrated the superiority of SurvSurf compared to modern and traditional predictive survival models in two simulated datasets and two real-world datasets, using MSE, the more robust IBS and by measuring the extent of monotonicity violation.

This paper presents a new Graph Neural Network (GNN) type using feature-wise linear modulation (FiLM). Many standard GNN variants propagate information along the edges of a graph by computing "messages" based only on the representation of the source of each edge. In GNN-FiLM, the representation of the target node of an edge is additionally used to compute a transformation that can be applied to all incoming messages, allowing feature-wise modulation of the passed information. Results of experiments comparing different GNN architectures on three tasks from the literature are presented, based on re-implementations of baseline methods. Hyperparameters for all methods were found using extensive search, yielding somewhat surprising results: differences between baseline models are smaller than reported in the literature. Nonetheless, GNN-FiLM outperforms baseline methods on a regression task on molecular graphs and performs competitively on other tasks.

Physics-informed neural networks (PINNs) provide a powerful approach for solving partial differential equations (PDEs), but constructing a usable PINN remains labor-intensive and error-prone. Scientists must interpret problems as PDE formulations, design architectures and loss functions, and implement stable training pipelines. Existing large language model (LLM) based approaches address isolated steps such as code generation or architecture suggestion, but typically assume a formal PDE is already specified and therefore lack an end-to-end perspective. We present Lang-PINN, an LLM-driven multi-agent system that builds trainable PINNs directly from natural language task descriptions. Lang-PINN coordinates four complementary agents: a PDE Agent that parses task descriptions into symbolic PDEs, a PINN Agent that selects architectures, a Code Agent that generates modular implementations, and a Feedback Agent that executes and diagnoses errors for iterative refinement. This design transforms informal task statements into executable and verifiable PINN code. Experiments show that Lang-PINN achieves substantially lower errors and greater robustness than competitive baselines: mean squared error (MSE) is reduced by up to 3--5 orders of magnitude, end-to-end execution success improves by more than 50\%, and reduces time overhead by up to 74\%.

Graph Neural Networks (GNNs) with equivariant properties have emerged as powerful tools for modeling complex dynamics of multi-object physical systems. However, their generalization ability is limited by the inadequate consideration of physical inductive biases: (1) Existing studies overlook the continuity of transitions among system states, opting to employ several discrete transformation layers to learn the direct mapping between two adjacent states; (2) Most models only account for first-order velocity information, despite the fact that many physical systems are governed by second-order motion laws. To incorporate these inductive biases, we propose the Second-order Equivariant Graph Neural Ordinary Differential Equation (SEGNO). Specifically, we show how the second-order continuity can be incorporated into GNNs while maintaining the equivariant property. Furthermore, we offer theoretical insights into SEGNO, highlighting that it can learn a unique trajectory between adjacent states, which is crucial for model generalization. Additionally, we prove that the discrepancy between this learned trajectory of SEGNO and the true trajectory is bounded. Extensive experiments on complex dynamical systems including molecular dynamics and motion capture demonstrate that our model yields a significant improvement over the state-of-the-art baselines.

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

Repository-level bug localization-the task of identifying where code must be modified to fix a bug-is a critical software engineering challenge. Standard Large Language Modles (LLMs) are often unsuitable for this task due to context window limitations that prevent them from processing entire code repositories. As a result, various retrieval methods are commonly used, including keyword matching, text similarity, and simple graph-based heuristics such as Breadth-First Search. Graph Neural Networks (GNNs) offer a promising alternative due to their ability to model complex, repository-wide dependencies; however, their application has been hindered by the lack of a dedicated benchmark. To address this gap, we introduce GREPO, the first GNN benchmark for repository-scale bug localization tasks. GREPO comprises 86 Python repositories and 47294 bug-fixing tasks, providing graph-based data structures ready for direct GNN processing. Our evaluation of various GNN architectures shows outstanding performance compared to established information retrieval baselines. This work highlights the potential of GNNs for bug localization and established GREPO as a foundation resource for future research, The code is available at https://github.com/qingpingmo/GREPO.

Facial expression recognition is an important computer vision task with applications in human--computer interaction, mental health monitoring, driver alert systems, and behavioral analysis. While convolutional neural networks (CNNs) dominate modern facial expression recognition, handcrafted feature descriptors such as Histogram of Oriented Gradients (HOG) and Local Binary Patterns (LBP) remain useful classical baselines. This study compares HOG with Support Vector Machine (SVM), LBP with Logistic Regression, and a lightweight CNN across three facial expression datasets: FER-2013, CK+, and KDEF. The results show that CNNs achieve the best overall performance, particularly on more complex data, while HOG performs strongly in controlled environments. LBP performs poorly across all datasets. The study highlights that dataset complexity significantly affects performance and that robust feature learning is essential for real-world facial expression recognition.

Multi-agent language systems are often built as hand-designed workflows, where agents are assigned semantic roles and communication protocols are specified in advance. We propose NeuroMAS, a method that first treats a multi-agent language system as a trainable and scalable neural-network-like architecture with LLM agents as nodes and intermediate textual signals as edges. In NeuroMAS, agent nodes are role-free but structure-aware: the topology only determines how information can flow in general, while reinforcement learning training determines how nodes communicate, specialize, and coordinate. This formulation shifts multi-agent design from workflow engineering toward architecture design, where depth, width, connectivity, and growth protocol become scalable sources of capability. Further, we provide a theoretical perspective showing why such modular textual computation is more parameter-efficient when tasks admit hierarchical decompositions. Experiments show that NeuroMAS improves significantly over both inference-time and trained multi-agent baselines. We further find that organizational scaling is path-dependent: larger systems can be challenging to train from scratch, but become feasible when grown progressively from smaller trained systems. These results suggest that learned neural multi-agent systems are a promising scaling axis for LLMs.

Despite the success of physics-informed neural networks (PINNs) in approximating partial differential equations (PDEs), PINNs can sometimes fail to converge to the correct solution in problems involving complicated PDEs. This is reflected in several recent studies on characterizing the "failure modes" of PINNs, although a thorough understanding of the connection between PINN failure modes and sampling strategies is missing. In this paper, we provide a novel perspective of failure modes of PINNs by hypothesizing that training PINNs relies on successful "propagation" of solution from initial and/or boundary condition points to interior points. We show that PINNs with poor sampling strategies can get stuck at trivial solutions if there are propagation failures, characterized by highly imbalanced PDE residual fields. To mitigate propagation failures, we propose a novel Retain-Resample-Release sampling (R3) algorithm that can incrementally accumulate collocation points in regions of high PDE residuals with little to no computational overhead. We provide an extension of R3 sampling to respect the principle of causality while solving time-dependent PDEs. We theoretically analyze the behavior of R3 sampling and empirically demonstrate its efficacy and efficiency in comparison with baselines on a variety of PDE problems.

Data augmentation is essential to achieve state-of-the-art performance in many deep learning applications. However, the most effective augmentation techniques become computationally prohibitive for even medium-sized datasets. To address this, we propose a rigorous technique to select subsets of data points that when augmented, closely capture the training dynamics of full data augmentation. We first show that data augmentation, modeled as additive perturbations, improves learning and generalization by relatively enlarging and perturbing the smaller singular values of the network Jacobian, while preserving its prominent directions. This prevents overfitting and enhances learning the harder to learn information. Then, we propose a framework to iteratively extract small subsets of training data that when augmented, closely capture the alignment of the fully augmented Jacobian with labels/residuals. We prove that stochastic gradient descent applied to the augmented subsets found by our approach has similar training dynamics to that of fully augmented data. Our experiments demonstrate that our method achieves 6.3x speedup on CIFAR10 and 2.2x speedup on SVHN, and outperforms the baselines by up to 10% across various subset sizes. Similarly, on TinyImageNet and ImageNet, our method beats the baselines by up to 8%, while achieving up to 3.3x speedup across various subset sizes. Finally, training on and augmenting 50% subsets using our method on a version of CIFAR10 corrupted with label noise even outperforms using the full dataset. Our code is available at: https://github.com/tianyu139/data-efficient-augmentation

Causal structures for observational survival data provide crucial information regarding the relationships between covariates and time-to-event. We derive motivation from the information theoretic source coding argument, and show that incorporating the knowledge of the directed acyclic graph (DAG) can be beneficial if suitable source encoders are employed. As a possible source encoder in this context, we derive a variational inference based conditional variational autoencoder for causal structured survival prediction, which we refer to as DAGSurv. We illustrate the performance of DAGSurv on low and high-dimensional synthetic datasets, and real-world datasets such as METABRIC and GBSG. We demonstrate that the proposed method outperforms other survival analysis baselines such as Cox Proportional Hazards, DeepSurv and Deephit, which are oblivious to the underlying causal relationship between data entities.

We present an end-to-end deep learning segmentation method by combining a 3D UNet architecture with a graph neural network (GNN) model. In this approach, the convolutional layers at the deepest level of the UNet are replaced by a GNN-based module with a series of graph convolutions. The dense feature maps at this level are transformed into a graph input to the GNN module. The incorporation of graph convolutions in the UNet provides nodes in the graph with information that is based on node connectivity, in addition to the local features learnt through the downsampled paths. This information can help improve segmentation decisions. By stacking several graph convolution layers, the nodes can access higher order neighbourhood information without substantial increase in computational expense. We propose two types of node connectivity in the graph adjacency: i) one predefined and based on a regular node neighbourhood, and ii) one dynamically computed during training and using the nearest neighbour nodes in the feature space. We have applied this method to the task of segmenting the airway tree from chest CT scans. Experiments have been performed on 32 CTs from the Danish Lung Cancer Screening Trial dataset. We evaluate the performance of the UNet-GNN models with two types of graph adjacency and compare it with the baseline UNet.