Daily Papers

This paper proposes a Deep Learning based edge detector, which is inspired on both HED (Holistically-Nested Edge Detection) and Xception networks. The proposed approach generates thin edge-maps that are plausible for human eyes; it can be used in any edge detection task without previous training or fine tuning process. As a second contribution, a large dataset with carefully annotated edges has been generated. This dataset has been used for training the proposed approach as well the state-of-the-art algorithms for comparisons. Quantitative and qualitative evaluations have been performed on different benchmarks showing improvements with the proposed method when F-measure of ODS and OIS are considered.

We present an interpretation of Inception modules in convolutional neural networks as being an intermediate step in-between regular convolution and the depthwise separable convolution operation (a depthwise convolution followed by a pointwise convolution). In this light, a depthwise separable convolution can be understood as an Inception module with a maximally large number of towers. This observation leads us to propose a novel deep convolutional neural network architecture inspired by Inception, where Inception modules have been replaced with depthwise separable convolutions. We show that this architecture, dubbed Xception, slightly outperforms Inception V3 on the ImageNet dataset (which Inception V3 was designed for), and significantly outperforms Inception V3 on a larger image classification dataset comprising 350 million images and 17,000 classes. Since the Xception architecture has the same number of parameters as Inception V3, the performance gains are not due to increased capacity but rather to a more efficient use of model parameters.

In recent years, the incidence of vision-threatening eye diseases has risen dramatically, necessitating scalable and accurate screening solutions. This paper presents a comprehensive study on deep learning architectures for the automated diagnosis of ocular conditions. To mitigate the "black-box" limitations of standard convolutional neural networks (CNNs), we implement a pipeline that combines deep feature extraction with interpretable image processing modules. Specifically, we focus on high-fidelity retinal vessel segmentation as an auxiliary task to guide the classification process. By grounding the model's predictions in clinically relevant morphological features, we aim to bridge the gap between algorithmic output and expert medical validation, thereby reducing false positives and improving deployment viability in clinical settings.

In this paper, we introduce a new channel pruning method to accelerate very deep convolutional neural networks.Given a trained CNN model, we propose an iterative two-step algorithm to effectively prune each layer, by a LASSO regression based channel selection and least square reconstruction. We further generalize this algorithm to multi-layer and multi-branch cases. Our method reduces the accumulated error and enhance the compatibility with various architectures. Our pruned VGG-16 achieves the state-of-the-art results by 5x speed-up along with only 0.3% increase of error. More importantly, our method is able to accelerate modern networks like ResNet, Xception and suffers only 1.4%, 1.0% accuracy loss under 2x speed-up respectively, which is significant. Code has been made publicly available.

Spatial pyramid pooling module or encode-decoder structure are used in deep neural networks for semantic segmentation task. The former networks are able to encode multi-scale contextual information by probing the incoming features with filters or pooling operations at multiple rates and multiple effective fields-of-view, while the latter networks can capture sharper object boundaries by gradually recovering the spatial information. In this work, we propose to combine the advantages from both methods. Specifically, our proposed model, DeepLabv3+, extends DeepLabv3 by adding a simple yet effective decoder module to refine the segmentation results especially along object boundaries. We further explore the Xception model and apply the depthwise separable convolution to both Atrous Spatial Pyramid Pooling and decoder modules, resulting in a faster and stronger encoder-decoder network. We demonstrate the effectiveness of the proposed model on PASCAL VOC 2012 and Cityscapes datasets, achieving the test set performance of 89.0\% and 82.1\% without any post-processing. Our paper is accompanied with a publicly available reference implementation of the proposed models in Tensorflow at https://github.com/tensorflow/models/tree/master/research/deeplab.

Spreading of COVID-19 virus has increased the efforts to provide testing kits. Not only the preparation of these kits had been hard, rare, and expensive but also using them is another issue. Results have shown that these kits take some crucial time to recognize the virus, in addition to the fact that they encounter with 30% loss. In this paper, we have studied the usage of x-ray pictures which are ubiquitous, for the classification of COVID-19 chest Xray images, by the existing convolutional neural networks (CNNs). We intend to train chest x-rays of infected and not infected ones with different CNNs architectures including VGG19, Densnet-121, and Xception. Training these architectures resulted in different accuracies which were much faster and more precise than usual ways of testing.

In this paper, we introduce a new channel pruning method to accelerate very deep convolutional neural networks. Given a trained CNN model, we propose an iterative two-step algorithm to effectively prune each layer, by a LASSO regression based channel selection and least square reconstruction. We further generalize this algorithm to multi-layer and multi-branch cases. Our method reduces the accumulated error and enhances the compatibility with various architectures. Our pruned VGG-16 achieves the state-of-the-art results by 5x speed-up along with only 0.3% increase of error. More importantly, our method is able to accelerate modern networks like ResNet, Xception and suffers only 1.4%, 1.0% accuracy loss under 2x speed-up respectively, which is significant. Our code has been made publicly available.

Localizing the root cause of network faults is crucial to network operation and maintenance. However, due to the complicated network architectures and wireless environments, as well as limited labeled data, accurately localizing the true root cause is challenging. In this paper, we propose a novel algorithm named NetRCA to deal with this problem. Firstly, we extract effective derived features from the original raw data by considering temporal, directional, attribution, and interaction characteristics. Secondly, we adopt multivariate time series similarity and label propagation to generate new training data from both labeled and unlabeled data to overcome the lack of labeled samples. Thirdly, we design an ensemble model which combines XGBoost, rule set learning, attribution model, and graph algorithm, to fully utilize all data information and enhance performance. Finally, experiments and analysis are conducted on the real-world dataset from ICASSP 2022 AIOps Challenge to demonstrate the superiority and effectiveness of our approach.

We provide our perspective on X-Learning (XL), a novel distributed learning architecture that generalizes and extends the concept of decentralization. Our goal is to present a vision for XL, introducing its unexplored design considerations and degrees of freedom. To this end, we shed light on the intuitive yet non-trivial connections between XL, graph theory, and Markov chains. We also present a series of open research directions to stimulate further research.

Graph neural networks (GNNs) have achieved state-of-the-art results in computer vision and medical image classification tasks by capturing structural dependencies across data instances. However, their decision-making remains largely opaque, limiting their trustworthiness in high-stakes clinical applications where interpretability is essential. Existing explainability techniques for GNNs are typically post-hoc and global, offering limited insight into individual node decisions or local reasoning. We introduce X-Node, a self-explaining GNN framework in which each node generates its own explanation as part of the prediction process. For every node, we construct a structured context vector encoding interpretable cues such as degree, centrality, clustering, feature saliency, and label agreement within its local topology. A lightweight Reasoner module maps this context into a compact explanation vector, which serves three purposes: (1) reconstructing the node's latent embedding via a decoder to enforce faithfulness, (2) generating a natural language explanation using a pre-trained LLM (e.g., Grok or Gemini), and (3) guiding the GNN itself via a "text-injection" mechanism that feeds explanations back into the message-passing pipeline. We evaluate X-Node on two graph datasets derived from MedMNIST and MorphoMNIST, integrating it with GCN, GAT, and GIN backbones. Our results show that X-Node maintains competitive classification accuracy while producing faithful, per-node explanations. Repository: https://github.com/basiralab/X-Node.

Lung diseases remain a critical global health concern, and it's crucial to have accurate and quick ways to diagnose them. This work focuses on classifying different lung diseases into five groups: viral pneumonia, bacterial pneumonia, COVID, tuberculosis, and normal lungs. Employing advanced deep learning techniques, we explore a diverse range of models including CNN, hybrid models, ensembles, transformers, and Big Transfer. The research encompasses comprehensive methodologies such as hyperparameter tuning, stratified k-fold cross-validation, and transfer learning with fine-tuning.Remarkably, our findings reveal that the Xception model, fine-tuned through 5-fold cross-validation, achieves the highest accuracy of 96.21\%. This success shows that our methods work well in accurately identifying different lung diseases. The exploration of explainable artificial intelligence (XAI) methodologies further enhances our understanding of the decision-making processes employed by these models, contributing to increased trust in their clinical applications.

Multi-turn interactions with language models (LMs) pose critical safety risks, as harmful intent can be strategically spread across exchanges. Yet, the vast majority of prior work has focused on single-turn safety, while adaptability and diversity remain among the key challenges of multi-turn red-teaming. To address these challenges, we present X-Teaming, a scalable framework that systematically explores how seemingly harmless interactions escalate into harmful outcomes and generates corresponding attack scenarios. X-Teaming employs collaborative agents for planning, attack optimization, and verification, achieving state-of-the-art multi-turn jailbreak effectiveness and diversity with success rates up to 98.1% across representative leading open-weight and closed-source models. In particular, X-Teaming achieves a 96.2% attack success rate against the latest Claude 3.7 Sonnet model, which has been considered nearly immune to single-turn attacks. Building on X-Teaming, we introduce XGuard-Train, an open-source multi-turn safety training dataset that is 20x larger than the previous best resource, comprising 30K interactive jailbreaks, designed to enable robust multi-turn safety alignment for LMs. Our work offers essential tools and insights for mitigating sophisticated conversational attacks, advancing the multi-turn safety of LMs.

Tabular data in knowledge-rich domains often carries a latent prior in the form of Boolean implication relationships (BIRs) between pairs of features. We mine such relationships with a sparse-exception binomial test. The mined implications form a typed directed graph, equivalent to a propositional rule base of 2-literal clauses. We encode this graph as the connectivity of a layered neural network, called BIRDNet, in which each hidden unit corresponds to one mined rule and binds only to its two features. We show two consequences of this design: First, the architecture is sparse by construction: at most 2/d of the weights in each BIR layer are active, where d is the input dimension. Second, the model is interpretable: every trained unit keeps a stable symbolic identity, so rules can be read off the network without surrogate models. Unlike most neurosymbolic models, BIRDNet does not consume an external rule base; its structural prior is mined from the data. We evaluate BIRDNet on six transcriptomic and proteomic benchmarks. Our results show that BIRDNet stays within 0.02 AUROC of the strongest dense baseline, at a small accuracy cost, while using up to 96times fewer active parameters than an architecture-matched dense MLP. First-layer rules recover known biological signatures across multiple cancer subtypes and tissue types, including canonical amplicons, lineage-defining co-expression modules, and immune-infiltration markers. Data and code are available at: https://github.com/MAHI-Group/BIRDNet.

Graph Neural Networks (GNNs) have gained significant traction for simulating complex physical systems, with models like MeshGraphNet demonstrating strong performance on unstructured simulation meshes. However, these models face several limitations, including scalability issues, requirement for meshing at inference, and challenges in handling long-range interactions. In this work, we introduce X-MeshGraphNet, a scalable, multi-scale extension of MeshGraphNet designed to address these challenges. X-MeshGraphNet overcomes the scalability bottleneck by partitioning large graphs and incorporating halo regions that enable seamless message passing across partitions. This, combined with gradient aggregation, ensures that training across partitions is equivalent to processing the entire graph at once. To remove the dependency on simulation meshes, X-MeshGraphNet constructs custom graphs directly from tessellated geometry files (e.g., STLs) by generating point clouds on the surface or volume of the object and connecting k-nearest neighbors. Additionally, our model builds multi-scale graphs by iteratively combining coarse and fine-resolution point clouds, where each level refines the previous, allowing for efficient long-range interactions. Our experiments demonstrate that X-MeshGraphNet maintains the predictive accuracy of full-graph GNNs while significantly improving scalability and flexibility. This approach eliminates the need for time-consuming mesh generation at inference, offering a practical solution for real-time simulation across a wide range of applications. The code for reproducing the results presented in this paper is available through NVIDIA Modulus.

In the fields of computational mathematics and artificial intelligence, the need for precise data modeling is crucial, especially for predictive machine learning tasks. This paper explores further XNet, a novel algorithm that employs the complex-valued Cauchy integral formula, offering a superior network architecture that surpasses traditional Multi-Layer Perceptrons (MLPs) and Kolmogorov-Arnold Networks (KANs). XNet significant improves speed and accuracy across various tasks in both low and high-dimensional spaces, redefining the scope of data-driven model development and providing substantial improvements over established time series models like LSTMs.

Message Passing Neural Networks (MPNNs) are instances of Graph Neural Networks that leverage the graph to send messages over the edges. This inductive bias leads to a phenomenon known as over-squashing, where a node feature is insensitive to information contained at distant nodes. Despite recent methods introduced to mitigate this issue, an understanding of the causes for over-squashing and of possible solutions are lacking. In this theoretical work, we prove that: (i) Neural network width can mitigate over-squashing, but at the cost of making the whole network more sensitive; (ii) Conversely, depth cannot help mitigate over-squashing: increasing the number of layers leads to over-squashing being dominated by vanishing gradients; (iii) The graph topology plays the greatest role, since over-squashing occurs between nodes at high commute (access) time. Our analysis provides a unified framework to study different recent methods introduced to cope with over-squashing and serves as a justification for a class of methods that fall under graph rewiring.

We propose two efficient approximations to standard convolutional neural networks: Binary-Weight-Networks and XNOR-Networks. In Binary-Weight-Networks, the filters are approximated with binary values resulting in 32x memory saving. In XNOR-Networks, both the filters and the input to convolutional layers are binary. XNOR-Networks approximate convolutions using primarily binary operations. This results in 58x faster convolutional operations and 32x memory savings. XNOR-Nets offer the possibility of running state-of-the-art networks on CPUs (rather than GPUs) in real-time. Our binary networks are simple, accurate, efficient, and work on challenging visual tasks. We evaluate our approach on the ImageNet classification task. The classification accuracy with a Binary-Weight-Network version of AlexNet is only 2.9% less than the full-precision AlexNet (in top-1 measure). We compare our method with recent network binarization methods, BinaryConnect and BinaryNets, and outperform these methods by large margins on ImageNet, more than 16% in top-1 accuracy.

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

Large Language Models (LLMs) have revolutionized natural language processing but remain vulnerable to jailbreak attacks, especially multi-turn jailbreaks that distribute malicious intent across benign exchanges and bypass alignment mechanisms. Existing approaches often explore the adversarial space poorly, rely on hand-crafted heuristics, or lack systematic query refinement. We present NEXUS (Network Exploration for eXploiting Unsafe Sequences), a modular framework for constructing, refining, and executing optimized multi-turn attacks. NEXUS comprises: (1) ThoughtNet, which hierarchically expands a harmful intent into a structured semantic network of topics, entities, and query chains; (2) a feedback-driven Simulator that iteratively refines and prunes these chains through attacker-victim-judge LLM collaboration using harmfulness and semantic-similarity benchmarks; and (3) a Network Traverser that adaptively navigates the refined query space for real-time attacks. This pipeline uncovers stealthy, high-success adversarial paths across LLMs. On several closed-source and open-source LLMs, NEXUS increases attack success rate by 2.1% to 19.4% over prior methods. Code: https://github.com/inspire-lab/NEXUS

Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating both graph structure and feature information leads to complex models, and explaining predictions made by GNNs remains unsolved. Here we propose GNNExplainer, the first general, model-agnostic approach for providing interpretable explanations for predictions of any GNN-based model on any graph-based machine learning task. Given an instance, GNNExplainer identifies a compact subgraph structure and a small subset of node features that have a crucial role in GNN's prediction. Further, GNNExplainer can generate consistent and concise explanations for an entire class of instances. We formulate GNNExplainer as an optimization task that maximizes the mutual information between a GNN's prediction and distribution of possible subgraph structures. Experiments on synthetic and real-world graphs show that our approach can identify important graph structures as well as node features, and outperforms baselines by 17.1% on average. GNNExplainer provides a variety of benefits, from the ability to visualize semantically relevant structures to interpretability, to giving insights into errors of faulty GNNs.

We have developed a novel activation function, named the Cauchy Activation Function. This function is derived from the Cauchy Integral Theorem in complex analysis and is specifically tailored for problems requiring high precision. This innovation has led to the creation of a new class of neural networks, which we call (Comple)XNet, or simply XNet. We will demonstrate that XNet is particularly effective for high-dimensional challenges such as image classification and solving Partial Differential Equations (PDEs). Our evaluations show that XNet significantly outperforms established benchmarks like MNIST and CIFAR-10 in computer vision, and offers substantial advantages over Physics-Informed Neural Networks (PINNs) in both low-dimensional and high-dimensional PDE scenarios.

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

Widely used learned metrics for machine translation evaluation, such as COMET and BLEURT, estimate the quality of a translation hypothesis by providing a single sentence-level score. As such, they offer little insight into translation errors (e.g., what are the errors and what is their severity). On the other hand, generative large language models (LLMs) are amplifying the adoption of more granular strategies to evaluation, attempting to detail and categorize translation errors. In this work, we introduce xCOMET, an open-source learned metric designed to bridge the gap between these approaches. xCOMET integrates both sentence-level evaluation and error span detection capabilities, exhibiting state-of-the-art performance across all types of evaluation (sentence-level, system-level, and error span detection). Moreover, it does so while highlighting and categorizing error spans, thus enriching the quality assessment. We also provide a robustness analysis with stress tests, and show that xCOMET is largely capable of identifying localized critical errors and hallucinations.

Designing architectures for deep neural networks requires expert knowledge and substantial computation time. We propose a technique to accelerate architecture selection by learning an auxiliary HyperNet that generates the weights of a main model conditioned on that model's architecture. By comparing the relative validation performance of networks with HyperNet-generated weights, we can effectively search over a wide range of architectures at the cost of a single training run. To facilitate this search, we develop a flexible mechanism based on memory read-writes that allows us to define a wide range of network connectivity patterns, with ResNet, DenseNet, and FractalNet blocks as special cases. We validate our method (SMASH) on CIFAR-10 and CIFAR-100, STL-10, ModelNet10, and Imagenet32x32, achieving competitive performance with similarly-sized hand-designed networks. Our code is available at https://github.com/ajbrock/SMASH

Message passing graph neural networks (GNNs) are a popular learning architectures for graph-structured data. However, one problem GNNs experience is oversquashing, where a GNN has difficulty sending information between distant nodes. Understanding and mitigating oversquashing has recently received significant attention from the research community. In this paper, we continue this line of work by analyzing oversquashing through the lens of the effective resistance between nodes in the input graph. Effective resistance intuitively captures the ``strength'' of connection between two nodes by paths in the graph, and has a rich literature spanning many areas of graph theory. We propose to use total effective resistance as a bound of the total amount of oversquashing in a graph and provide theoretical justification for its use. We further develop an algorithm to identify edges to be added to an input graph to minimize the total effective resistance, thereby alleviating oversquashing. We provide empirical evidence of the effectiveness of our total effective resistance based rewiring strategies for improving the performance of GNNs.

Adapting to concept drift is a challenging task in machine learning, which is usually tackled using incremental learning techniques that periodically re-fit a learning model leveraging newly available data. A primary limitation of these techniques is their reliance on substantial amounts of data for retraining. The necessity of acquiring fresh data introduces temporal delays prior to retraining, potentially rendering the models inaccurate if a sudden concept drift occurs in-between two consecutive retrainings. In communication networks, such issue emerges when performing traffic forecasting following a~failure event: post-failure re-routing may induce a drastic shift in distribution and pattern of traffic data, thus requiring a timely model adaptation. In this work, we address this challenge for the problem of traffic forecasting and propose an approach that exploits adaptive learning algorithms, namely, liquid neural networks, which are capable of self-adaptation to abrupt changes in data patterns without requiring any retraining. Through extensive simulations of failure scenarios, we compare the predictive performance of our proposed approach to that of a reference method based on incremental learning. Experimental results show that our proposed approach outperforms incremental learning-based methods in situations where the shifts in traffic patterns are drastic.

Neural networks for image recognition have evolved through extensive manual design from simple chain-like models to structures with multiple wiring paths. The success of ResNets and DenseNets is due in large part to their innovative wiring plans. Now, neural architecture search (NAS) studies are exploring the joint optimization of wiring and operation types, however, the space of possible wirings is constrained and still driven by manual design despite being searched. In this paper, we explore a more diverse set of connectivity patterns through the lens of randomly wired neural networks. To do this, we first define the concept of a stochastic network generator that encapsulates the entire network generation process. Encapsulation provides a unified view of NAS and randomly wired networks. Then, we use three classical random graph models to generate randomly wired graphs for networks. The results are surprising: several variants of these random generators yield network instances that have competitive accuracy on the ImageNet benchmark. These results suggest that new efforts focusing on designing better network generators may lead to new breakthroughs by exploring less constrained search spaces with more room for novel design.

Neural architecture search (NAS) automatically finds the best task-specific neural network topology, outperforming many manual architecture designs. However, it can be prohibitively expensive as the search requires training thousands of different networks, while each can last for hours. In this work, we propose the Graph HyperNetwork (GHN) to amortize the search cost: given an architecture, it directly generates the weights by running inference on a graph neural network. GHNs model the topology of an architecture and therefore can predict network performance more accurately than regular hypernetworks and premature early stopping. To perform NAS, we randomly sample architectures and use the validation accuracy of networks with GHN generated weights as the surrogate search signal. GHNs are fast -- they can search nearly 10 times faster than other random search methods on CIFAR-10 and ImageNet. GHNs can be further extended to the anytime prediction setting, where they have found networks with better speed-accuracy tradeoff than the state-of-the-art manual designs.

In real world software development, improper or missing exception handling can severely impact the robustness and reliability of code. Exception handling mechanisms require developers to detect, capture, and manage exceptions according to high standards, but many developers struggle with these tasks, leading to fragile code. This problem is particularly evident in open source projects and impacts the overall quality of the software ecosystem. To address this challenge, we explore the use of large language models (LLMs) to improve exception handling in code. Through extensive analysis, we identify three key issues: Insensitive Detection of Fragile Code, Inaccurate Capture of Exception Types, and Distorted Handling Solutions. These problems are widespread across real world repositories, suggesting that robust exception handling practices are often overlooked or mishandled. In response, we propose Seeker, a multi agent framework inspired by expert developer strategies for exception handling. Seeker uses agents: Scanner, Detector, Predator, Ranker, and Handler to assist LLMs in detecting, capturing, and resolving exceptions more effectively. Our work is the first systematic study on leveraging LLMs to enhance exception handling practices, providing valuable insights for future improvements in code reliability.

With the growing adoption of Large Language Model (LLM) agents in persistent, real-world roles, they naturally encounter continuous streams of tasks and inevitable failures. A key limitation, however, is their inability to systematically learn from these mistakes, forcing them to repeat identical errors in similar contexts. Unlike prior training-free methods that primarily store raw instance-level experience or focus on retrieving successful trajectories, we propose Mistake Notebook Learning (MNL), a novel memory framework that enables agents to self-curate generalizable guidance from batch-clustered failures. This mechanism allows agents to distill shared error patterns into structured "mistake notes," updating an external memory only when batch performance improves to ensure stability. To further amplify adaptability, we integrate MNL with test-time scaling, leveraging aggregated failure patterns to actively steer the search process away from known pitfalls. Experiments on mathematical reasoning, Text-to-SQL, and interactive agent benchmarks show that MNL achieves competitive performance compared to existing memory mechanisms and in-context methods in both effectiveness and efficiency. These findings position structured mistake abstraction as a critical lever for robust agent evolution, enabling continuous improvement without the cost of parameter updates. The code is available at https://github.com/Bairong-Xdynamics/MistakeNotebookLearning/tree/main.

In this paper, we present LiGNN, a deployed large-scale Graph Neural Networks (GNNs) Framework. We share our insight on developing and deployment of GNNs at large scale at LinkedIn. We present a set of algorithmic improvements to the quality of GNN representation learning including temporal graph architectures with long term losses, effective cold start solutions via graph densification, ID embeddings and multi-hop neighbor sampling. We explain how we built and sped up by 7x our large-scale training on LinkedIn graphs with adaptive sampling of neighbors, grouping and slicing of training data batches, specialized shared-memory queue and local gradient optimization. We summarize our deployment lessons and learnings gathered from A/B test experiments. The techniques presented in this work have contributed to an approximate relative improvements of 1% of Job application hearing back rate, 2% Ads CTR lift, 0.5% of Feed engaged daily active users, 0.2% session lift and 0.1% weekly active user lift from people recommendation. We believe that this work can provide practical solutions and insights for engineers who are interested in applying Graph neural networks at large scale.

Software engineers develop, fine-tune, and deploy deep learning (DL) models. They use and re-use models in a variety of development frameworks and deploy them on a range of runtime environments. In this diverse ecosystem, engineers use DL model converters to move models from frameworks to runtime environments. However, errors in converters can compromise model quality and disrupt deployment. The failure frequency and failure modes of DL model converters are unknown. In this paper, we conduct the first failure analysis on DL model converters. Specifically, we characterize failures in model converters associated with ONNX (Open Neural Network eXchange). We analyze past failures in the ONNX converters in two major DL frameworks, PyTorch and TensorFlow. The symptoms, causes, and locations of failures (for N=200 issues), and trends over time are also reported. We also evaluate present-day failures by converting 8,797 models, both real-world and synthetically generated instances. The consistent result from both parts of the study is that DL model converters commonly fail by producing models that exhibit incorrect behavior: 33% of past failures and 8% of converted models fell into this category. Our results motivate future research on making DL software simpler to maintain, extend, and validate.

In real world software development, improper or missing exception handling can severely impact the robustness and reliability of code. Exception handling mechanisms require developers to detect, capture, and manage exceptions according to high standards, but many developers struggle with these tasks, leading to fragile code. This problem is particularly evident in open-source projects and impacts the overall quality of the software ecosystem. To address this challenge, we explore the use of large language models (LLMs) to improve exception handling in code. Through extensive analysis, we identify three key issues: Insensitive Detection of Fragile Code, Inaccurate Capture of Exception Block, and Distorted Handling Solution. These problems are widespread across real world repositories, suggesting that robust exception handling practices are often overlooked or mishandled. In response, we propose Seeker, a multi-agent framework inspired by expert developer strategies for exception handling. Seeker uses agents: Scanner, Detector, Predator, Ranker, and Handler to assist LLMs in detecting, capturing, and resolving exceptions more effectively. Our work is the first systematic study on leveraging LLMs to enhance exception handling practices in real development scenarios, providing valuable insights for future improvements in code reliability.

In this paper, we propose REASON, a novel framework that enables the automatic discovery of both intra-level (i.e., within-network) and inter-level (i.e., across-network) causal relationships for root cause localization. REASON consists of Topological Causal Discovery and Individual Causal Discovery. The Topological Causal Discovery component aims to model the fault propagation in order to trace back to the root causes. To achieve this, we propose novel hierarchical graph neural networks to construct interdependent causal networks by modeling both intra-level and inter-level non-linear causal relations. Based on the learned interdependent causal networks, we then leverage random walks with restarts to model the network propagation of a system fault. The Individual Causal Discovery component focuses on capturing abrupt change patterns of a single system entity. This component examines the temporal patterns of each entity's metric data (i.e., time series), and estimates its likelihood of being a root cause based on the Extreme Value theory. Combining the topological and individual causal scores, the top K system entities are identified as root causes. Extensive experiments on three real-world datasets with case studies demonstrate the effectiveness and superiority of the proposed framework.

Historically, the pursuit of efficient inference has been one of the driving forces behind research into new deep learning architectures and building blocks. Some recent examples include: the squeeze-and-excitation module, depthwise separable convolutions in Xception, and the inverted bottleneck in MobileNet v2. Notably, in all of these cases, the resulting building blocks enabled not only higher efficiency, but also higher accuracy, and found wide adoption in the field. In this work, we further expand the arsenal of efficient building blocks for neural network architectures; but instead of combining standard primitives (such as convolution), we advocate for the replacement of these dense primitives with their sparse counterparts. While the idea of using sparsity to decrease the parameter count is not new, the conventional wisdom is that this reduction in theoretical FLOPs does not translate into real-world efficiency gains. We aim to correct this misconception by introducing a family of efficient sparse kernels for ARM and WebAssembly, which we open-source for the benefit of the community as part of the XNNPACK library. Equipped with our efficient implementation of sparse primitives, we show that sparse versions of MobileNet v1, MobileNet v2 and EfficientNet architectures substantially outperform strong dense baselines on the efficiency-accuracy curve. On Snapdragon 835 our sparse networks outperform their dense equivalents by 1.3-2.4times -- equivalent to approximately one entire generation of MobileNet-family improvement. We hope that our findings will facilitate wider adoption of sparsity as a tool for creating efficient and accurate deep learning architectures.

Message passing graph neural networks (GNNs) would appear to be powerful tools to learn distributed algorithms via gradient descent, but generate catastrophically incorrect predictions when nodes update asynchronously during inference. This failure under asynchrony effectively excludes these architectures from many potential applications, such as learning local communication policies between resource-constrained agents in, e.g., robotic swarms or sensor networks. In this work we explore why this failure occurs in common GNN architectures, and identify "implicitly-defined" GNNs as a class of architectures which is provably robust to partially asynchronous "hogwild" inference, adapting convergence guarantees from work in asynchronous and distributed optimization, e.g., Bertsekas (1982); Niu et al. (2011). We then propose a novel implicitly-defined GNN architecture, which we call an energy GNN. We show that this architecture outperforms other GNNs from this class on a variety of synthetic tasks inspired by multi-agent systems, and achieves competitive performance on real-world datasets.

In Agentic AI, Large Language Models (LLMs) are increasingly used in the orchestration layer to coordinate multiple agents and to interact with external services, retrieval components, and shared memory. In this setting, failures are not limited to incorrect final outputs. They also arise from long-horizon interaction, stochastic decisions, and external side effects (such as API calls, database writes, and message sends). Common failures include non-termination, role drift, propagation of unsupported claims, and attacks via untrusted context or external channels. This paper presents an assurance framework for such Agentic AI systems. Executions are instrumented as Message-Action Traces (MAT) with explicit step and trace contracts. Contracts provide machine-checkable verdicts, localize the first violating step, and support deterministic replay. The framework includes stress testing, formulated as a budgeted counterexample search over bounded perturbations. It also supports structured fault injection at service, retrieval, and memory boundaries to assess containment under realistic operational faults and degraded conditions. Finally, governance is treated as a runtime component, enforcing per-agent capability limits and action mediation (allow, rewrite, block) at the language-to-action boundary. To support comparative evaluations across stochastic seeds, models, and orchestration configurations, the paper defines trace-based metrics for task success, termination reliability, contract compliance, factuality indicators, containment rate, and governance outcome distributions. More broadly, the framework is intended as a common abstraction to support testing and evaluation of multi-agent LLM systems, and to facilitate reproducible comparison across orchestration designs and configurations.

Despite its outstanding performance in various graph tasks, vanilla Message Passing Neural Network (MPNN) usually fails in link prediction tasks, as it only uses representations of two individual target nodes and ignores the pairwise relation between them. To capture the pairwise relations, some models add manual features to the input graph and use the output of MPNN to produce pairwise representations. In contrast, others directly use manual features as pairwise representations. Though this simplification avoids applying a GNN to each link individually and thus improves scalability, these models still have much room for performance improvement due to the hand-crafted and unlearnable pairwise features. To upgrade performance while maintaining scalability, we propose Neural Common Neighbor (NCN), which uses learnable pairwise representations. To further boost NCN, we study the unobserved link problem. The incompleteness of the graph is ubiquitous and leads to distribution shifts between the training and test set, loss of common neighbor information, and performance degradation of models. Therefore, we propose two intervention methods: common neighbor completion and target link removal. Combining the two methods with NCN, we propose Neural Common Neighbor with Completion (NCNC). NCN and NCNC outperform recent strong baselines by large margins. NCNC achieves state-of-the-art performance in link prediction tasks. Our code is available at https://github.com/GraphPKU/NeuralCommonNeighbor.

How would randomly shuffling feature vectors among nodes from the same class affect graph neural networks (GNNs)? The feature shuffle, intuitively, perturbs the dependence between graph topology and features (A-X dependence) for GNNs to learn from. Surprisingly, we observe a consistent and significant improvement in GNN performance following the feature shuffle. Having overlooked the impact of A-X dependence on GNNs, the prior literature does not provide a satisfactory understanding of the phenomenon. Thus, we raise two research questions. First, how should A-X dependence be measured, while controlling for potential confounds? Second, how does A-X dependence affect GNNs? In response, we (i) propose a principled measure for A-X dependence, (ii) design a random graph model that controls A-X dependence, (iii) establish a theory on how A-X dependence relates to graph convolution, and (iv) present empirical analysis on real-world graphs that align with the theory. We conclude that A-X dependence mediates the effect of graph convolution, such that smaller dependence improves GNN-based node classification.

Graph Neural Networks (GNNs) have emerged as powerful tools for learning on graph-structured data, but often struggle to balance local and global information. While graph Transformers aim to address this by enabling long-range interactions, they often overlook the inherent locality and efficiency of Message Passing Neural Networks (MPNNs). We propose a new concept called fractal nodes, inspired by the fractal structure observed in real-world networks. Our approach is based on the intuition that graph partitioning naturally induces fractal structure, where subgraphs often reflect the connectivity patterns of the full graph. Fractal nodes are designed to coexist with the original nodes and adaptively aggregate subgraph-level feature representations, thereby enforcing feature similarity within each subgraph. We show that fractal nodes alleviate the over-squashing problem by providing direct shortcut connections that enable long-range propagation of subgraph-level representations. Experiment results show that our method improves the expressive power of MPNNs and achieves comparable or better performance to graph Transformers while maintaining the computational efficiency of MPNN by improving the long-range dependencies of MPNN.

Graph neural networks are popular architectures for graph machine learning, based on iterative computation of node representations of an input graph through a series of invariant transformations. A large class of graph neural networks follow a standard message-passing paradigm: at every layer, each node state is updated based on an aggregate of messages from its neighborhood. In this work, we propose a novel framework for training graph neural networks, where every node is viewed as a player that can choose to either 'listen', 'broadcast', 'listen and broadcast', or to 'isolate'. The standard message propagation scheme can then be viewed as a special case of this framework where every node 'listens and broadcasts' to all neighbors. Our approach offers a more flexible and dynamic message-passing paradigm, where each node can determine its own strategy based on their state, effectively exploring the graph topology while learning. We provide a theoretical analysis of the new message-passing scheme which is further supported by an extensive empirical analysis on a synthetic dataset and on real-world datasets.

As LLM-based Multi-Agent Systems (MAS) are increasingly deployed for complex tasks, ensuring their reliability has become a pressing challenge. Since MAS coordinate through unstructured natural language rather than rigid protocols, they are prone to semantic failures (e.g., hallucinations, misinterpreted instructions, and reasoning drift) that propagate silently without raising runtime exceptions. Prevailing evaluation approaches, which measure only end-to-end task success, offer limited insight into how these failures arise or how effectively agents recover from them. To bridge this gap, we propose MAS-FIRE, a systematic framework for fault injection and reliability evaluation of MAS. We define a taxonomy of 15 fault types covering intra-agent cognitive errors and inter-agent coordination failures, and inject them via three non-invasive mechanisms: prompt modification, response rewriting, and message routing manipulation. Applying MAS-FIRE to three representative MAS architectures, we uncover a rich set of fault-tolerant behaviors that we organize into four tiers: mechanism, rule, prompt, and reasoning. This tiered view enables fine-grained diagnosis of where and why systems succeed or fail. Our findings reveal that stronger foundation models do not uniformly improve robustness. We further show that architectural topology plays an equally decisive role, with iterative, closed-loop designs neutralizing over 40% of faults that cause catastrophic collapse in linear workflows. MAS-FIRE provides the process-level observability and actionable guidance needed to systematically improve multi-agent systems.

Recently, Stitchable Neural Networks (SN-Net) is proposed to stitch some pre-trained networks for quickly building numerous networks with different complexity and performance trade-offs. In this way, the burdens of designing or training the variable-sized networks, which can be used in application scenarios with diverse resource constraints, are alleviated. However, SN-Net still faces a few challenges. 1) Stitching from multiple independently pre-trained anchors introduces high storage resource consumption. 2) SN-Net faces challenges to build smaller models for low resource constraints. 3). SN-Net uses an unlearned initialization method for stitch layers, limiting the final performance. To overcome these challenges, motivated by the recently proposed Learngene framework, we propose a novel method called Learngene Pool. Briefly, Learngene distills the critical knowledge from a large pre-trained model into a small part (termed as learngene) and then expands this small part into a few variable-sized models. In our proposed method, we distill one pretrained large model into multiple small models whose network blocks are used as learngene instances to construct the learngene pool. Since only one large model is used, we do not need to store more large models as SN-Net and after distilling, smaller learngene instances can be created to build small models to satisfy low resource constraints. We also insert learnable transformation matrices between the instances to stitch them into variable-sized models to improve the performance of these models. Exhaustive experiments have been implemented and the results validate the effectiveness of the proposed Learngene Pool compared with SN-Net.

Multi-agent systems powered by Large Language Models excel at complex tasks through coordinated collaboration, yet they face high failure rates in multi-turn deep search scenarios. Existing temporal attribution methods struggle to accurately diagnose root causes, particularly when errors propagate across multiple agents. Attempts to automate failure attribution by analyzing action sequences remain ineffective due to their inability to account for information dependencies that span agents. This paper identifies two core challenges: (i) distinguishing symptoms from root causes in multi-agent error propagation, and (ii) tracing information dependencies beyond temporal order. To address these issues, we introduce GraphTracer, a framework that redefines failure attribution through information flow analysis. GraphTracer constructs Information Dependency Graphs (IDGs) to explicitly capture how agents reference and build on prior outputs. It localizes root causes by tracing through these dependency structures instead of relying on temporal sequences. GraphTracer also uses graph-aware synthetic data generation to target critical nodes, creating realistic failure scenarios. Evaluations on the Who\&When benchmark and integration into production systems demonstrate that GraphTracer-8B achieves up to 18.18\% higher attribution accuracy compared to state-of-the-art models and enables 4.8\% to 14.2\% performance improvements in deployed multi-agent frameworks, establishing a robust solution for multi-agent system debugging.

Recent studies have revealed that self-sustaining cascading failures in distributed systems frequently lead to widespread outages, which are challenging to contain and recover from. Existing failure detection techniques struggle to expose such failures prior to deployment, as they typically require a complex combination of specific conditions to be triggered. This challenge stems from the inherent nature of cascading failures, as they typically involve a sequence of fault propagations, each activated by distinct conditions. This paper presents CSnake, a fault injection framework to expose self-sustaining cascading failures in distributed systems. CSnake uses the novel idea of causal stitching, which causally links multiple single-fault injections in different tests to simulate complex fault propagation chains. To identify these chains, CSnake designs a counterfactual causality analysis of fault propagations - fault causality analysis (FCA): FCA compares the execution trace of a fault injection run with its corresponding profile run (i.e., same test w/o the injection) and identifies any additional faults triggered, which are considered to have a causal relationship with the injected fault. To address the large search space of fault and workload combinations, CSnake employs a three-phase allocation protocol of test budget that prioritizes faults with unique and diverse causal consequences, increasing the likelihood of uncovering conditional fault propagations. Furthermore, to avoid incorrectly connecting fault propagations from workloads with incompatible conditions, CSnake performs a local compatibility check that approximately checks the compatibility of the path constraints associated with connected fault propagations with low overhead. CSnake detected 15 bugs that cause self-sustaining cascading failures in five systems, five of which have been confirmed with two fixed.

The drive toward automating cellular network operations has grown with the increasing complexity of these systems. Despite advancements, full autonomy currently remains out of reach due to reliance on human intervention for modeling network behaviors and defining policies to meet target requirements. Network Digital Twins (NDTs) have shown promise in enhancing network intelligence, but the successful implementation of this technology is constrained by use case-specific architectures, limiting its role in advancing network autonomy. A more capable network intelligence, or "telecommunications brain", is needed to enable seamless, autonomous management of cellular network. Large Language Models (LLMs) have emerged as potential enablers for this vision but face challenges in network modeling, especially in reasoning and handling diverse data types. To address these gaps, we introduce Hermes, a chain of LLM agents that uses "blueprints" for constructing NDT instances through structured and explainable logical steps. Hermes allows automatic, reliable, and accurate network modeling of diverse use cases and configurations, thus marking progress toward fully autonomous network operations.

We present swarm-attack, an open-source adversarial testing framework in which multiple lightweight LLM agents coordinate through shared memory, parallel exploration, and evolutionary optimization. Together, our results demonstrate that both safety bypass of frontier models and software vulnerability discovery, i.e., the capability class that motivated restricted release of Anthropic's Mythos Preview, are achievable at effectively zero cost using commodity hardware and openly available models. We report two experiments. In the first, five instances of a 1.2 billion parameter model conducted 225 jailbreak attacks each against GPT-4o and Claude Sonnet~4. Against GPT-4o, the swarm achieved an Effective Harm Rate of 45.8%, producing 49 critical-severity breaches; against Claude Sonnet-4, the Effective Harm Rate was 0% despite a 40% technical success rate. In the second experiment, the same models performed combined source code analysis and binary fuzzing against a vulnerable C application with 9 planted CWEs. With a hand-crafted exploit seed corpus, regex pattern detection, and AddressSanitizer-based crash classification, the pipeline recovers 9 of 9 vulnerabilities (100% recall) in approximately four minutes on a consumer MacBook. With those scaffold components disabled, the same model recovers 0 of 9 by crash verification and 2 of 9 by citation. The capability class that motivated restricted release of Anthropic's Mythos Preview is therefore reproducible at effectively zero cost; the important enabler is the system scaffold itself, which compensates for the limited reasoning capacity of small individual models.

This paper investigates Graph Neural Networks (GNNs) application for self-supervised network intrusion and anomaly detection. GNNs are a deep learning approach for graph-based data that incorporate graph structures into learning to generalise graph representations and output embeddings. As network flows are naturally graph-based, GNNs are a suitable fit for analysing and learning network behaviour. The majority of current implementations of GNN-based Network Intrusion Detection Systems (NIDSs) rely heavily on labelled network traffic which can not only restrict the amount and structure of input traffic, but also the NIDSs potential to adapt to unseen attacks. To overcome these restrictions, we present Anomal-E, a GNN approach to intrusion and anomaly detection that leverages edge features and graph topological structure in a self-supervised process. This approach is, to the best our knowledge, the first successful and practical approach to network intrusion detection that utilises network flows in a self-supervised, edge leveraging GNN. Experimental results on two modern benchmark NIDS datasets not only clearly display the improvement of using Anomal-E embeddings rather than raw features, but also the potential Anomal-E has for detection on wild network traffic.

Information flows by routes inside the network via mechanisms implemented in the model. These routes can be represented as graphs where nodes correspond to token representations and edges to operations inside the network. We automatically build these graphs in a top-down manner, for each prediction leaving only the most important nodes and edges. In contrast to the existing workflows relying on activation patching, we do this through attribution: this allows us to efficiently uncover existing circuits with just a single forward pass. Additionally, the applicability of our method is far beyond patching: we do not need a human to carefully design prediction templates, and we can extract information flow routes for any prediction (not just the ones among the allowed templates). As a result, we can talk about model behavior in general, for specific types of predictions, or different domains. We experiment with Llama 2 and show that the role of some attention heads is overall important, e.g. previous token heads and subword merging heads. Next, we find similarities in Llama 2 behavior when handling tokens of the same part of speech. Finally, we show that some model components can be specialized on domains such as coding or multilingual texts.

In this work, we present a new network design paradigm. Our goal is to help advance the understanding of network design and discover design principles that generalize across settings. Instead of focusing on designing individual network instances, we design network design spaces that parametrize populations of networks. The overall process is analogous to classic manual design of networks, but elevated to the design space level. Using our methodology we explore the structure aspect of network design and arrive at a low-dimensional design space consisting of simple, regular networks that we call RegNet. The core insight of the RegNet parametrization is surprisingly simple: widths and depths of good networks can be explained by a quantized linear function. We analyze the RegNet design space and arrive at interesting findings that do not match the current practice of network design. The RegNet design space provides simple and fast networks that work well across a wide range of flop regimes. Under comparable training settings and flops, the RegNet models outperform the popular EfficientNet models while being up to 5x faster on GPUs.

Safety-aligned large language models are trained to refuse harmful requests, yet embedding the same requests in particular scenarios can bypass their safeguards. Existing red-teaming methods empirically identify effective scenarios through observed attack outcomes, but why particular scenarios weaken refusal remains mechanistically unclear. Meanwhile, mechanistic interpretability studies have characterized both refusal directions and jailbreak-associated features, without explaining the relationship between the two representations. In this work, we show that scenario-wrapped prompts activate internal scenario directions whose causal steering consistently reduces refusal scores. Building on this finding, we propose Concept2Scenario, a concept-based attribution framework for vulnerable scenario discovery. It instantiates a broad concept space with a sparse autoencoder, attributes refusal suppression to individual concepts, translates the identified concepts into interpretable natural-language scenarios, and identifies synergistic scenario combinations through interaction attribution. Across three open-source models, two safety benchmarks, and six black-box jailbreak methods, the discovered scenarios serve as reusable priors that improve average attack success rates by up to 18.2 percentage points. They also transfer to GPT-5, Claude-Haiku-4.5, and Gemini-3-Flash, suggesting that some scenario-level refusal vulnerabilities are shared across model families. Moreover, the identified combinations outperform their individual constituents and enable iterative attacks to succeed in fewer turns.

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.

In mobile telecommunications, alarms act as early warning signals. They are triggered when a cell, the basic unit of radio coverage, shuts down or behaves abnormally. This signals a degradation in service quality, which directly affects the customer experience. To fix the issue, operators rely on preset thresholds to decide when an engineer should be sent out. In practice, these thresholds are set manually and remain fixed regardless of the time of day, traffic levels, or overall network conditions. This often leads to serious faults slipping through during busy hours, while minor issues can cause unnecessary callouts when the network is quiet. This paper presents a machine learning framework that automatically predicts four alarm thresholds, audit window duration, inactive time limit, total fluctuation count, and per hour fluctuation limit, from live network behavior. Since no ground truth labels exist for thresholds, we introduce a percentile guided label derivation strategy and evaluate four models on an anonymized dataset of 10,648 cells across three vendors and nine regions from a real 4G network, comprising a Gradient Boosted Trees baseline, a CNN-BiLSTM with attention, the proposed PCTN, and an iTransformer. PCTN performs the best overall with respect to three of the four targets, outperforming a state-of-the-art iTransformer while using 83 percent fewer parameters. Its mixed output heads and dynamic alpha mechanism produce thresholds that are both accurate and interpretable, allowing operators to inspect and adjust the learned policy without retraining. All comparisons are statistically significant at p < 0.001. The framework undergoes daily retraining using new data, which enables the thresholds to constantly adjust to changes in the network.

Program errors can occur in any type of programming, and can manifest in a variety of ways, such as unexpected output, crashes, or performance issues. And program error diagnosis can often be too abstract or technical for developers to understand, especially for beginners. The goal of this paper is to present a novel machine-learning approach for Multi-task Program Error Repair and Explanatory Diagnosis (mPRED). A pre-trained language model is used to encode the source code, and a downstream model is specifically designed to identify and repair errors. Programs and test cases will be augmented and optimized from several perspectives. Additionally, our approach incorporates a "chain of thoughts" method, which enables the models to produce intermediate reasoning explanations before providing the final correction. To aid in visualizing and analyzing the program structure, we use a graph neural network for program structure visualization. Overall, our approach offers a promising approach for repairing program errors across different programming languages and providing helpful explanations to programmers.

Graph Neural Networks (GNNs) have been popularly used for analyzing non-Euclidean data such as social network data and biological data. Despite their success, the design of graph neural networks requires a lot of manual work and domain knowledge. In this paper, we propose a Graph Neural Architecture Search method (GraphNAS for short) that enables automatic search of the best graph neural architecture based on reinforcement learning. Specifically, GraphNAS first uses a recurrent network to generate variable-length strings that describe the architectures of graph neural networks, and then trains the recurrent network with reinforcement learning to maximize the expected accuracy of the generated architectures on a validation data set. Extensive experimental results on node classification tasks in both transductive and inductive learning settings demonstrate that GraphNAS can achieve consistently better performance on the Cora, Citeseer, Pubmed citation network, and protein-protein interaction network. On node classification tasks, GraphNAS can design a novel network architecture that rivals the best human-invented architecture in terms of test set accuracy.

Graph Neural Networks (GNNs) are a powerful technique for machine learning on graph-structured data, yet they pose challenges in interpretability. Existing GNN explanation methods usually yield technical outputs, such as subgraphs and feature importance scores, that are difficult for non-data scientists to understand and thereby violate the purpose of explanations. Motivated by recent Explainable AI (XAI) research, we propose GraphXAIN, a method that generates natural language narratives explaining GNN predictions. GraphXAIN is a model- and explainer-agnostic method that uses Large Language Models (LLMs) to translate explanatory subgraphs and feature importance scores into coherent, story-like explanations of GNN decision-making processes. Evaluations on real-world datasets demonstrate GraphXAIN's ability to improve graph explanations. A survey of machine learning researchers and practitioners reveals that GraphXAIN enhances four explainability dimensions: understandability, satisfaction, convincingness, and suitability for communicating model predictions. When combined with another graph explainer method, GraphXAIN further improves trustworthiness, insightfulness, confidence, and usability. Notably, 95% of participants found GraphXAIN to be a valuable addition to the GNN explanation method. By incorporating natural language narratives, our approach serves both graph practitioners and non-expert users by providing clearer and more effective explanations.

Network pruning techniques, including weight pruning and filter pruning, reveal that most state-of-the-art neural networks can be accelerated without a significant performance drop. This work focuses on filter pruning which enables accelerated inference with any off-the-shelf deep learning library and hardware. We propose the concept of network pruning spaces that parametrize populations of subnetwork architectures. Based on this concept, we explore the structure aspect of subnetworks that result in minimal loss of accuracy in different pruning regimes and arrive at a series of observations by comparing subnetwork distributions. We conjecture through empirical studies that there exists an optimal FLOPs-to-parameter-bucket ratio related to the design of original network in a pruning regime. Statistically, the structure of a winning subnetwork guarantees an approximately optimal ratio in this regime. Upon our conjectures, we further refine the initial pruning space to reduce the cost of searching a good subnetwork architecture. Our experimental results on ImageNet show that the subnetwork we found is superior to those from the state-of-the-art pruning methods under comparable FLOPs.

Deep learning has proven to be a highly effective problem-solving tool for object detection and image segmentation across various domains such as healthcare and autonomous driving. At the heart of this performance lies neural architecture design which relies heavily on domain knowledge and prior experience on the researchers' behalf. More recently, this process of finding the most optimal architectures, given an initial search space of possible operations, was automated by Neural Architecture Search (NAS). In this paper, we evaluate the robustness of one such algorithm known as Efficient NAS (ENAS) against data agnostic poisoning attacks on the original search space with carefully designed ineffective operations. By evaluating algorithm performance on the CIFAR-10 dataset, we empirically demonstrate how our novel search space poisoning (SSP) approach and multiple-instance poisoning attacks exploit design flaws in the ENAS controller to result in inflated prediction error rates for child networks. Our results provide insights into the challenges to surmount in using NAS for more adversarially robust architecture search.

The introduction of the transformer architecture and the self-attention mechanism has led to an explosive production of language models trained on specific downstream tasks and data domains. With over 200, 000 models in the Hugging Face ecosystem, users grapple with selecting and optimizing models to suit multifaceted workflows and data domains while addressing computational, security, and recency concerns. There is an urgent need for machine learning frameworks that can eliminate the burden of model selection and customization and unleash the incredible power of the vast emerging model library for end users. Here, we propose a context-aware routing system, Tryage, that leverages a language model router for optimal selection of expert models from a model library based on analysis of individual input prompts. Inspired by the thalamic router in the brain, Tryage employs a perceptive router to predict down-stream model performance on prompts and, then, makes a routing decision using an objective function that integrates performance predictions with user goals and constraints that are incorporated through flags (e.g., model size, model recency). Tryage allows users to explore a Pareto front and automatically trade-off between task accuracy and secondary goals including minimization of model size, recency, security, verbosity, and readability. Across heterogeneous data sets that include code, text, clinical data, and patents, the Tryage framework surpasses Gorilla and GPT3.5 turbo in dynamic model selection identifying the optimal model with an accuracy of 50.9% , compared to 23.6% by GPT 3.5 Turbo and 10.8% by Gorilla. Conceptually, Tryage demonstrates how routing models can be applied to program and control the behavior of multi-model LLM systems to maximize efficient use of the expanding and evolving language model ecosystem.

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.

Scaling adversarial evaluation of large language models requires both a method for generating hard inputs and a reliable way to confirm that resulting failures are real. We present AdversaBench, an end-to-end red-teaming pipeline that mutates seed prompts with five structured operators, queries a target model, and confirms failures through a three-judge panel with a meta-judge tiebreaker. We report experiments on 45 seeds across three categories: reasoning, instruction-following, and tool use. Every seed produced a confirmed failure. Four findings stand out. First, operator effectiveness varies sharply by category: inject_distractor scores 0.00 mean reward on instruction-following seeds but 0.80-0.83 on reasoning and tool-use. Second, binary failure rate hides difficulty: instruction-following seeds required 2.4 attacker iterations on average versus 1.1 for other categories, a gap visible in survival curves. Third, pairwise judge agreement of 80-87% coexists with near-zero Cohen's kappa due to label skew; category-level disagreement rates are more informative. Fourth, adversarial prompts generated against Llama 3.1 8B transfer zero-shot to Llama 3.3 70B, suggesting the mutations exploit general behavioral patterns rather than model-specific weaknesses. Code, dataset, and analysis scripts are available at https://github.com/khanak0509/AdversaBench .

Without proper safeguards, large language models will readily follow malicious instructions and generate toxic content. This motivates safety efforts such as red-teaming and large-scale feedback learning, which aim to make models both helpful and harmless. However, there is a tension between these two objectives, since harmlessness requires models to refuse complying with unsafe prompts, and thus not be helpful. Recent anecdotal evidence suggests that some models may have struck a poor balance, so that even clearly safe prompts are refused if they use similar language to unsafe prompts or mention sensitive topics. In this paper, we introduce a new test suite called XSTest to identify such eXaggerated Safety behaviours in a structured and systematic way. In its current form, XSTest comprises 200 safe prompts across ten prompt types that well-calibrated models should not refuse to comply with. We describe XSTest's creation and composition, and use the test suite to highlight systematic failure modes in a recently-released state-of-the-art language model.

This study demonstrates the effectiveness of XLNet, a transformer-based language model, for annotating argumentative elements in persuasive essays. XLNet's architecture incorporates a recurrent mechanism that allows it to model long-term dependencies in lengthy texts. Fine-tuned XLNet models were applied to three datasets annotated with different schemes - a proprietary dataset using the Annotations for Revisions and Reflections on Writing (ARROW) scheme, the PERSUADE corpus, and the Argument Annotated Essays (AAE) dataset. The XLNet models achieved strong performance across all datasets, even surpassing human agreement levels in some cases. This shows XLNet capably handles diverse annotation schemes and lengthy essays. Comparisons between the model outputs on different datasets also revealed insights into the relationships between the annotation tags. Overall, XLNet's strong performance on modeling argumentative structures across diverse datasets highlights its suitability for providing automated feedback on essay organization.

We evaluate the robustness of a Neural Architecture Search (NAS) algorithm known as Efficient NAS (ENAS) against data agnostic poisoning attacks on the original search space with carefully designed ineffective operations. We empirically demonstrate how our one shot search space poisoning approach exploits design flaws in the ENAS controller to degrade predictive performance on classification tasks. With just two poisoning operations injected into the search space, we inflate prediction error rates for child networks upto 90% on the CIFAR-10 dataset.

Extreme Classification (XC) seeks to tag data points with the most relevant subset of labels from an extremely large label set. Performing deep XC with dense, learnt representations for data points and labels has attracted much attention due to its superiority over earlier XC methods that used sparse, hand-crafted features. Negative mining techniques have emerged as a critical component of all deep XC methods that allow them to scale to millions of labels. However, despite recent advances, training deep XC models with large encoder architectures such as transformers remains challenging. This paper identifies that memory overheads of popular negative mining techniques often force mini-batch sizes to remain small and slow training down. In response, this paper introduces NGAME, a light-weight mini-batch creation technique that offers provably accurate in-batch negative samples. This allows training with larger mini-batches offering significantly faster convergence and higher accuracies than existing negative sampling techniques. NGAME was found to be up to 16% more accurate than state-of-the-art methods on a wide array of benchmark datasets for extreme classification, as well as 3% more accurate at retrieving search engine queries in response to a user webpage visit to show personalized ads. In live A/B tests on a popular search engine, NGAME yielded up to 23% gains in click-through-rates.

Vertex centrality measures are a multi-purpose analysis tool, commonly used in many application environments to retrieve information and unveil knowledge from the graphs and network structural properties. However, the algorithms of such metrics are expensive in terms of computational resources when running real-time applications or massive real world networks. Thus, approximation techniques have been developed and used to compute the measures in such scenarios. In this paper, we demonstrate and analyze the use of neural network learning algorithms to tackle such task and compare their performance in terms of solution quality and computation time with other techniques from the literature. Our work offers several contributions. We highlight both the pros and cons of approximating centralities though neural learning. By empirical means and statistics, we then show that the regression model generated with a feedforward neural networks trained by the Levenberg-Marquardt algorithm is not only the best option considering computational resources, but also achieves the best solution quality for relevant applications and large-scale networks. Keywords: Vertex Centrality Measures, Neural Networks, Complex Network Models, Machine Learning, Regression Model

Large language models (LLMs) have empowered nodes within multi-agent networks with intelligence, showing growing applications in both academia and industry. However, how to prevent these networks from generating malicious information remains unexplored with previous research on single LLM's safety be challenging to transfer. In this paper, we focus on the safety of multi-agent networks from a topological perspective, investigating which topological properties contribute to safer networks. To this end, we propose a general framework, NetSafe along with an iterative RelCom interaction to unify existing diverse LLM-based agent frameworks, laying the foundation for generalized topological safety research. We identify several critical phenomena when multi-agent networks are exposed to attacks involving misinformation, bias, and harmful information, termed as Agent Hallucination and Aggregation Safety. Furthermore, we find that highly connected networks are more susceptible to the spread of adversarial attacks, with task performance in a Star Graph Topology decreasing by 29.7%. Besides, our proposed static metrics aligned more closely with real-world dynamic evaluations than traditional graph-theoretic metrics, indicating that networks with greater average distances from attackers exhibit enhanced safety. In conclusion, our work introduces a new topological perspective on the safety of LLM-based multi-agent networks and discovers several unreported phenomena, paving the way for future research to explore the safety of such networks.

In pruning, the Lottery Ticket Hypothesis posits that large networks contain sparse subnetworks, or winning tickets, that can be trained in isolation to match the performance of their dense counterparts. However, most existing approaches assume a single universal winning ticket shared across all inputs, ignoring the inherent heterogeneity of real-world data. In this work, we propose Routing the Lottery (RTL), an adaptive pruning framework that discovers multiple specialized subnetworks, called adaptive tickets, each tailored to a class, semantic cluster, or environmental condition. Across diverse datasets and tasks, RTL consistently outperforms single- and multi-model baselines in balanced accuracy and recall, while using up to 10 times fewer parameters than independent models and exhibiting semantically aligned. Furthermore, we identify subnetwork collapse, a performance drop under aggressive pruning, and introduce a subnetwork similarity score that enables label-free diagnosis of oversparsification. Overall, our results recast pruning as a mechanism for aligning model structure with data heterogeneity, paving the way toward more modular and context-aware deep learning.

Modern LLM deployments confront a widening cost-performance spectrum: premium models deliver strong reasoning but are expensive, while lightweight models are economical yet brittle on complex tasks. Static escalation rules and keyword heuristics under-utilize this spectrum and fail to adapt across task types. We present xRouter, a tool-calling-based routing system in which a learned router can either answer directly or invoke one or more external models. The router is trained end-to-end with reinforcement learning using an explicit, cost-aware reward that encodes cost-performance trade-offs, eliminating the need for hand-engineered routing rules. Our implementation encompasses the full reinforcement learning framework, including reward and cost accounting, as well as the deployment and evaluation pipelines. Across diverse benchmarks, xRouter achieves strong cost-performance trade-offs (e.g., substantial cost reductions at comparable task completion rates), and provides empirical insights into what reliably helps learned routing and what does not, ranging from model trainability to the difficulty of eliciting sophisticated orchestration behaviors in small open models. We hope these findings and our open implementation will serve as a practical substrate for advancing learned, cost-aware LLM orchestration.

AI systems can increasingly automate scientific workflows, but the reasoning that links prior evidence, generated ideas, experiments and final claims often remains implicit inside model inference. Here we introduce Xcientist, a research harness that externalizes research synthesis and experimental validation into inspectable, contract-governed processes. Xcientist organizes literature evidence, idea states, implementation plans, ablation records and repair traces as persistent research artifacts, so that generated mechanisms can be grounded, executed, tested and revised without losing their evidential basis. We identify claim drift as a failure mode of automated research, where runnable artifacts no longer support the mechanism originally claimed. Across training-free memory systems, graph-structured traffic forecasting and multi-scale physics-informed neural networks, Xcientist preserves traceable trajectories from problem formulation to mechanism design, validation and bounded revision. These results suggest that AI scientists should be evaluated not only by their final artifacts, but by whether their synthesis and validation processes remain attributable, inspectable and scientifically accountable.

Deep learning (DL) systems are increasingly deployed in safety- and security-critical domains including self-driving cars and malware detection, where the correctness and predictability of a system's behavior for corner case inputs are of great importance. Existing DL testing depends heavily on manually labeled data and therefore often fails to expose erroneous behaviors for rare inputs. We design, implement, and evaluate DeepXplore, the first whitebox framework for systematically testing real-world DL systems. First, we introduce neuron coverage for systematically measuring the parts of a DL system exercised by test inputs. Next, we leverage multiple DL systems with similar functionality as cross-referencing oracles to avoid manual checking. Finally, we demonstrate how finding inputs for DL systems that both trigger many differential behaviors and achieve high neuron coverage can be represented as a joint optimization problem and solved efficiently using gradient-based search techniques. DeepXplore efficiently finds thousands of incorrect corner case behaviors (e.g., self-driving cars crashing into guard rails and malware masquerading as benign software) in state-of-the-art DL models with thousands of neurons trained on five popular datasets including ImageNet and Udacity self-driving challenge data. For all tested DL models, on average, DeepXplore generated one test input demonstrating incorrect behavior within one second while running only on a commodity laptop. We further show that the test inputs generated by DeepXplore can also be used to retrain the corresponding DL model to improve the model's accuracy by up to 3%.

Recent advances in Graph Neural Networks (GNNs) and Graph Transformers (GTs) have been driven by innovations in architectures and Positional Encodings (PEs), which are critical for augmenting node features and capturing graph topology. PEs are essential for GTs, where topological information would otherwise be lost without message-passing. However, PEs are often tested alongside novel architectures, making it difficult to isolate their effect on established models. To address this, we present a comprehensive benchmark of PEs in a unified framework that includes both message-passing GNNs and GTs. We also establish theoretical connections between MPNNs and GTs and introduce a sparsified GRIT attention mechanism to examine the influence of global connectivity. Our findings demonstrate that previously untested combinations of GNN architectures and PEs can outperform existing methods and offer a more comprehensive picture of the state-of-the-art. To support future research and experimentation in our framework, we make the code publicly available.

Graph neural networks (GNNs), in general, are built on the assumption of a static set of features characterizing each node in a graph. This assumption is often violated in practice. Existing methods partly address this issue through feature imputation. However, these techniques (i) assume uniformity of feature set across nodes, (ii) are transductive by nature, and (iii) fail to work when features are added or removed over time. In this work, we address these limitations through a novel GNN framework called GRAFENNE. GRAFENNE performs a novel allotropic transformation on the original graph, wherein the nodes and features are decoupled through a bipartite encoding. Through a carefully chosen message passing framework on the allotropic transformation, we make the model parameter size independent of the number of features and thereby inductive to both unseen nodes and features. We prove that GRAFENNE is at least as expressive as any of the existing message-passing GNNs in terms of Weisfeiler-Leman tests, and therefore, the additional inductivity to unseen features does not come at the cost of expressivity. In addition, as demonstrated over four real-world graphs, GRAFENNE empowers the underlying GNN with high empirical efficacy and the ability to learn in continual fashion over streaming feature sets.

In designing and applying graph neural networks, we often fall into some optimization pitfalls, the most deceptive of which is that we can only build a deep model by solving over-smoothing. The fundamental reason is that we do not understand how graph neural networks work. Stress graph drawing can offer a unique viewpoint to message iteration in the graph, such as the root of the over-smoothing problem lies in the inability of graph models to maintain an ideal distance between nodes. We further elucidate the trigger conditions of over-smoothing and propose Stress Graph Neural Networks. By introducing the attractive and repulsive message passing from stress iteration, we show how to build a deep model without preventing over-smoothing, how to use repulsive information, and how to optimize the current message-passing scheme to approximate the full stress message propagation. By performing different tasks on 23 datasets, we verified the effectiveness of our attractive and repulsive models and the derived relationship between stress iteration and graph neural networks. We believe that stress graph drawing will be a popular resource for understanding and designing graph neural networks.

The recent 'Mpox' outbreak, formerly known as 'Monkeypox', has become a significant public health concern and has spread to over 110 countries globally. The challenge of clinically diagnosing mpox early on is due, in part, to its similarity to other types of rashes. Computer-aided screening tools have been proven valuable in cases where Polymerase Chain Reaction (PCR) based diagnosis is not immediately available. Deep learning methods are powerful in learning complex data representations, but their efficacy largely depends on adequate training data. To address this challenge, we present the "Mpox Skin Lesion Dataset Version 2.0 (MSLD v2.0)" as a follow-up to the previously released openly accessible dataset, one of the first datasets containing mpox lesion images. This dataset contains images of patients with mpox and five other non-mpox classes (chickenpox, measles, hand-foot-mouth disease, cowpox, and healthy). We benchmark the performance of several state-of-the-art deep learning models, including VGG16, ResNet50, DenseNet121, MobileNetV2, EfficientNetB3, InceptionV3, and Xception, to classify mpox and other infectious skin diseases. In order to reduce the impact of racial bias, we utilize a color space data augmentation method to increase skin color variability during training. Additionally, by leveraging transfer learning implemented with pre-trained weights generated from the HAM10000 dataset, an extensive collection of pigmented skin lesion images, we achieved the best overall accuracy of 83.59pm2.11%. Finally, the developed models are incorporated within a prototype web application to analyze uploaded skin images by a user and determine whether a subject is a suspected mpox patient.

The rise of Large Reasoning Models (LRMs) promises a significant leap forward in language model capabilities, aiming to tackle increasingly sophisticated tasks with unprecedented efficiency and accuracy. However, despite their impressive performance, recent studies have highlighted how current reasoning models frequently fail to generalize to novel, unseen problems, often resorting to memorized solutions rather than genuine inferential reasoning. Such behavior underscores a critical limitation in modern LRMs, i.e., their tendency toward overfitting, which in turn results in poor generalization in problem-solving capabilities. In this paper, we introduce Nexus Architect, an enhanced iteration of our multi-agent system framework, Nexus, equipped with a novel automated workflow synthesis mechanism. Given a user's prompt and a small set of representative examples, the Architect autonomously generates a tailored reasoning workflow by selecting suitable strategies, tool integrations, and adversarial techniques for a specific problem class. Furthermore, the Architect includes an iterative prompt refinement mechanism that fine-tunes agents' system prompts to maximize performance and improve the generalization capabilities of the system. We empirically evaluate Nexus Architect by employing an off-the-shelf, non-reasoning model on a custom dataset of challenging logical questions and compare its performance against state-of-the-art LRMs. Results show that Nexus Architect consistently outperforms existing solutions, achieving up to a 66% increase in pass rate over Gemini 2.5 Flash Preview, nearly 2.5times against Claude Sonnet 4 and DeepSeek-R1, and over 3times w.r.t. Llama 4 Scout.

Multi-turn-to-single-turn (M2S) compresses iterative red-teaming into one structured prompt, but prior work relied on a handful of manually written templates. We present X-Teaming Evolutionary M2S, an automated framework that discovers and optimizes M2S templates through language-model-guided evolution. The system pairs smart sampling from 12 sources with an LLM-as-judge inspired by StrongREJECT and records fully auditable logs. Maintaining selection pressure by setting the success threshold to theta = 0.70, we obtain five evolutionary generations, two new template families, and 44.8% overall success (103/230) on GPT-4.1. A balanced cross-model panel of 2,500 trials (judge fixed) shows that structural gains transfer but vary by target; two models score zero at the same threshold. We also find a positive coupling between prompt length and score, motivating length-aware judging. Our results demonstrate that structure-level search is a reproducible route to stronger single-turn probes and underscore the importance of threshold calibration and cross-model evaluation. Code, configurations, and artifacts are available at https://github.com/hyunjun1121/M2S-x-teaming.

Training multiple tasks jointly in one deep network yields reduced latency during inference and better performance over the single-task counterpart by sharing certain layers of a network. However, over-sharing a network could erroneously enforce over-generalization, causing negative knowledge transfer across tasks. Prior works rely on human intuition or pre-computed task relatedness scores for ad hoc branching structures. They provide sub-optimal end results and often require huge efforts for the trial-and-error process. In this work, we present an automated multi-task learning algorithm that learns where to share or branch within a network, designing an effective network topology that is directly optimized for multiple objectives across tasks. Specifically, we propose a novel tree-structured design space that casts a tree branching operation as a gumbel-softmax sampling procedure. This enables differentiable network splitting that is end-to-end trainable. We validate the proposed method on controlled synthetic data, CelebA, and Taskonomy.

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

Large language models are increasingly deployed as agents that solve tasks by interacting with external tool environments. Although recent tool-use benchmarks increasingly cover complex task settings, they still largely assume clean, stable, and trustworthy tool environments, leaving tool-environment unreliability insufficiently examined. We introduce ToolBench-X, a benchmark for evaluating agents under recoverable reliability hazards. ToolBench-X contains executable multi-step tasks across diverse domains and sequential, parallel, and mixed workflows, each paired with deterministic tools and a canonical final answer for automatic evaluation. Starting from clean tool environments, ToolBench-X injects five structured hazard types: Specification Drift, Invocation Error, Execution Failure, Output Drift, and Cross-source Conflict. Crucially, each injected instance remains solvable through at least one valid recovery path, such as retrying, fallback, verification, or cross-checking. Experiments reveal a substantial reliability gap: agents that perform well with reliable tools often fail under recoverable hazards. Further analysis shows that failures are driven less by tool-use volume or inference budget than by limited hazard diagnosis and ineffective recovery. Targeted recovery hints recover many failed tasks, while test-time scaling yields more limited gains. These results suggest that tool-use evaluation should move beyond function-call accuracy toward task completion under unreliable tool environments. The code and data is available at https://github.com/Foreverskyou/ToolBench-X.

We demonstrate that architectures which traditionally are considered to be ill-suited for a task can be trained using inductive biases from another architecture. Networks are considered untrainable when they overfit, underfit, or converge to poor results even when tuning their hyperparameters. For example, plain fully connected networks overfit on object recognition while deep convolutional networks without residual connections underfit. The traditional answer is to change the architecture to impose some inductive bias, although what that bias is remains unknown. We introduce guidance, where a guide network guides a target network using a neural distance function. The target is optimized to perform well and to match its internal representations, layer-by-layer, to those of the guide; the guide is unchanged. If the guide is trained, this transfers over part of the architectural prior and knowledge of the guide to the target. If the guide is untrained, this transfers over only part of the architectural prior of the guide. In this manner, we can investigate what kinds of priors different architectures place on untrainable networks such as fully connected networks. We demonstrate that this method overcomes the immediate overfitting of fully connected networks on vision tasks, makes plain CNNs competitive to ResNets, closes much of the gap between plain vanilla RNNs and Transformers, and can even help Transformers learn tasks which RNNs can perform more easily. We also discover evidence that better initializations of fully connected networks likely exist to avoid overfitting. Our method provides a mathematical tool to investigate priors and architectures, and in the long term, may demystify the dark art of architecture creation, even perhaps turning architectures into a continuous optimizable parameter of the network.

The problem of predicting node properties (e.g., node classes) in graphs has received significant attention due to its broad range of applications. Graphs from real-world datasets often evolve over time, with newly emerging edges and dynamically changing node properties, posing a significant challenge for this problem. In response, temporal graph neural networks (TGNNs) have been developed to predict dynamic node properties from a stream of emerging edges. However, our analysis reveals that most TGNN-based methods are (a) far less effective without proper node features and, due to their complex model architectures, (b) vulnerable to distribution shifts. In this paper, we propose SPLASH, a simple yet powerful method for predicting node properties on edge streams under distribution shifts. Our key contributions are as follows: (1) we propose feature augmentation methods and an automatic feature selection method for edge streams, which improve the effectiveness of TGNNs, (2) we propose a lightweight MLP-based TGNN architecture that is highly efficient and robust under distribution shifts, and (3) we conduct extensive experiments to evaluate the accuracy, efficiency, generalization, and qualitative performance of the proposed method and its competitors on dynamic node classification, dynamic anomaly detection, and node affinity prediction tasks across seven real-world datasets.

Large-language models (LLMs) have demonstrated powerful problem-solving capabilities, in particular when organized in multi-agent systems. However, the advent of such systems also raises several questions on the ability of a complex network of agents to effectively self-organize and collaborate. While measuring performance on standard reasoning benchmarks indicates how well multi-agent systems can solve reasoning tasks, it is unclear whether these systems are able to leverage their topology effectively. Here, we propose AgentsNet, a new benchmark for multi-agent reasoning. By drawing inspiration from classical problems in distributed systems and graph theory, AgentsNet measures the ability of multi-agent systems to collaboratively form strategies for problem-solving, self-organization, and effective communication given a network topology. We evaluate a variety of baseline methods on AgentsNet including homogeneous networks of agents which first have to agree on basic protocols for organization and communication. We find that some frontier LLMs are already demonstrating strong performance for small networks but begin to fall off once the size of the network scales. While existing multi-agent benchmarks cover at most 2-5 agents, AgentsNet is practically unlimited in size and can scale with new generations of LLMs. As such, we also probe frontier models in a setup with up to 100 agents.

Root Cause Analysis (RCA) in mobile networks remains a challenging task due to the need for interpretability, domain expertise, and causal reasoning. In this work, we propose a lightweight framework that leverages Large Language Models (LLMs) for RCA. To do so, we introduce TeleLogs, a curated dataset of annotated troubleshooting problems designed to benchmark RCA capabilities. Our evaluation reveals that existing open-source reasoning LLMs struggle with these problems, underscoring the need for domain-specific adaptation. To address this issue, we propose a two-stage training methodology that combines supervised fine-tuning with reinforcement learning to improve the accuracy and reasoning quality of LLMs. The proposed approach fine-tunes a series of RCA models to integrate domain knowledge and generate structured, multi-step diagnostic explanations, improving both interpretability and effectiveness. Extensive experiments across multiple LLM sizes show significant performance gains over state-of-the-art reasoning and non-reasoning models, including strong generalization to randomized test variants. These results demonstrate the promise of domain-adapted, reasoning-enhanced LLMs for practical and explainable RCA in network operation and management.

We study the black-box attacks on graph neural networks (GNNs) under a novel and realistic constraint: attackers have access to only a subset of nodes in the network, and they can only attack a small number of them. A node selection step is essential under this setup. We demonstrate that the structural inductive biases of GNN models can be an effective source for this type of attacks. Specifically, by exploiting the connection between the backward propagation of GNNs and random walks, we show that the common gradient-based white-box attacks can be generalized to the black-box setting via the connection between the gradient and an importance score similar to PageRank. In practice, we find attacks based on this importance score indeed increase the classification loss by a large margin, but they fail to significantly increase the mis-classification rate. Our theoretical and empirical analyses suggest that there is a discrepancy between the loss and mis-classification rate, as the latter presents a diminishing-return pattern when the number of attacked nodes increases. Therefore, we propose a greedy procedure to correct the importance score that takes into account of the diminishing-return pattern. Experimental results show that the proposed procedure can significantly increase the mis-classification rate of common GNNs on real-world data without access to model parameters nor predictions.

There is a concerted effort to build domain-general artificial intelligence in the form of universal neural network models with sufficient computational flexibility to solve a wide variety of cognitive tasks but without requiring fine-tuning on individual problem spaces and domains. To do this, models need appropriate priors and inductive biases, such that trained models can generalise to out-of-distribution examples and new problem sets. Here we provide an overview of the hallmarks endowing biological neural networks with the functionality needed for flexible cognition, in order to establish which features might also be important to achieve similar functionality in artificial systems. We specifically discuss the role of system-level distribution of network communication and recurrence, in addition to the role of short-term topological changes for efficient local computation. As machine learning models become more complex, these principles may provide valuable directions in an otherwise vast space of possible architectures. In addition, testing these inductive biases within artificial systems may help us to understand the biological principles underlying domain-general cognition.

We present a distributed data structure, which we call the rainbow skip graph. To our knowledge, this is the first peer-to-peer data structure that simultaneously achieves high fault tolerance, constant-sized nodes, and fast update and query times for ordered data. It is a non-trivial adaptation of the SkipNet/skip-graph structures of Harvey et al. and Aspnes and Shah, so as to provide fault-tolerance as these structures do, but to do so using constant-sized nodes, as in the family tree structure of Zatloukal and Harvey. It supports successor queries on a set of n items using O(log n) messages with high probability, an improvement over the expected O(log n) messages of the family tree.

Despite impressive progress on complex reasoning, current large language models (LLMs) typically operate in isolation - treating each problem as an independent attempt, without accumulating or integrating experiential knowledge. In contrast, expert problem solvers - such as Olympiad or programming contest teams - leverage a rich tapestry of experiences: absorbing mentorship from coaches, developing intuition from past problems, leveraging knowledge of tool usage and library functionality, adapting strategies based on the expertise and experiences of peers, continuously refining their reasoning through trial and error, and learning from other related problems even during competition. We introduce Xolver, a training-free multi-agent reasoning framework that equips a black-box LLM with a persistent, evolving memory of holistic experience. Xolver integrates diverse experience modalities, including external and self-retrieval, tool use, collaborative interactions, agent-driven evaluation, and iterative refinement. By learning from relevant strategies, code fragments, and abstract reasoning patterns at inference time, Xolver avoids generating solutions from scratch - marking a transition from isolated inference toward experience-aware language agents. Built on both open-weight and proprietary models, Xolver consistently outperforms specialized reasoning agents. Even with lightweight backbones (e.g., QWQ-32B), it often surpasses advanced models including Qwen3-235B, Gemini 2.5 Pro, o3, and o4-mini-high. With o3-mini-high, it achieves new best results on GSM8K (98.1%), AIME'24 (94.4%), AIME'25 (93.7%), Math-500 (99.8%), and LiveCodeBench-V5 (91.6%) - highlighting holistic experience learning as a key step toward generalist agents capable of expert-level reasoning. Code and data are available at https://kagnlp.github.io/xolver.github.io/.

This paper presents X3D, a family of efficient video networks that progressively expand a tiny 2D image classification architecture along multiple network axes, in space, time, width and depth. Inspired by feature selection methods in machine learning, a simple stepwise network expansion approach is employed that expands a single axis in each step, such that good accuracy to complexity trade-off is achieved. To expand X3D to a specific target complexity, we perform progressive forward expansion followed by backward contraction. X3D achieves state-of-the-art performance while requiring 4.8x and 5.5x fewer multiply-adds and parameters for similar accuracy as previous work. Our most surprising finding is that networks with high spatiotemporal resolution can perform well, while being extremely light in terms of network width and parameters. We report competitive accuracy at unprecedented efficiency on video classification and detection benchmarks. Code will be available at: https://github.com/facebookresearch/SlowFast

Graph mining workloads aim to extract structural properties of a graph by exploring its subgraph structures. General purpose graph mining systems provide a generic runtime to explore subgraph structures of interest with the help of user-defined functions that guide the overall exploration process. However, the state-of-the-art graph mining systems remain largely oblivious to the shape (or pattern) of the subgraphs that they mine. This causes them to: (a) explore unnecessary subgraphs; (b) perform expensive computations on the explored subgraphs; and, (c) hold intermediate partial subgraphs in memory; all of which affect their overall performance. Furthermore, their programming models are often tied to their underlying exploration strategies, which makes it difficult for domain users to express complex mining tasks. In this paper, we develop Peregrine, a pattern-aware graph mining system that directly explores the subgraphs of interest while avoiding exploration of unnecessary subgraphs, and simultaneously bypassing expensive computations throughout the mining process. We design a pattern-based programming model that treats "graph patterns" as first class constructs and enables Peregrine to extract the semantics of patterns, which it uses to guide its exploration. Our evaluation shows that Peregrine outperforms state-of-the-art distributed and single machine graph mining systems, and scales to complex mining tasks on larger graphs, while retaining simplicity and expressivity with its "pattern-first" programming approach.

Evaluating the performance of a well-trained GNN model on real-world graphs is a pivotal step for reliable GNN online deployment and serving. Due to a lack of test node labels and unknown potential training-test graph data distribution shifts, conventional model evaluation encounters limitations in calculating performance metrics (e.g., test error) and measuring graph data-level discrepancies, particularly when the training graph used for developing GNNs remains unobserved during test time. In this paper, we study a new research problem, online GNN evaluation, which aims to provide valuable insights into the well-trained GNNs's ability to effectively generalize to real-world unlabeled graphs under the test-time graph distribution shifts. Concretely, we develop an effective learning behavior discrepancy score, dubbed LeBeD, to estimate the test-time generalization errors of well-trained GNN models. Through a novel GNN re-training strategy with a parameter-free optimality criterion, the proposed LeBeD comprehensively integrates learning behavior discrepancies from both node prediction and structure reconstruction perspectives. This enables the effective evaluation of the well-trained GNNs' ability to capture test node semantics and structural representations, making it an expressive metric for estimating the generalization error in online GNN evaluation. Extensive experiments on real-world test graphs under diverse graph distribution shifts could verify the effectiveness of the proposed method, revealing its strong correlation with ground-truth test errors on various well-trained GNN models.

Graphs can be used to represent and reason about systems and a variety of metrics have been devised to quantify their global characteristics. However, little is currently known about how to construct a graph or improve an existing one given a target objective. In this work, we formulate the construction of a graph as a decision-making process in which a central agent creates topologies by trial and error and receives rewards proportional to the value of the target objective. By means of this conceptual framework, we propose an algorithm based on reinforcement learning and graph neural networks to learn graph construction and improvement strategies. Our core case study focuses on robustness to failures and attacks, a property relevant for the infrastructure and communication networks that power modern society. Experiments on synthetic and real-world graphs show that this approach can outperform existing methods while being cheaper to evaluate. It also allows generalization to out-of-sample graphs, as well as to larger out-of-distribution graphs in some cases. The approach is applicable to the optimization of other global structural properties of graphs.

Deep neural networks (DNNs) have achieved significant performance in various tasks. However, recent studies have shown that DNNs can be easily fooled by small perturbation on the input, called adversarial attacks. As the extensions of DNNs to graphs, Graph Neural Networks (GNNs) have been demonstrated to inherit this vulnerability. Adversary can mislead GNNs to give wrong predictions by modifying the graph structure such as manipulating a few edges. This vulnerability has arisen tremendous concerns for adapting GNNs in safety-critical applications and has attracted increasing research attention in recent years. Thus, it is necessary and timely to provide a comprehensive overview of existing graph adversarial attacks and the countermeasures. In this survey, we categorize existing attacks and defenses, and review the corresponding state-of-the-art methods. Furthermore, we have developed a repository with representative algorithms (https://github.com/DSE-MSU/DeepRobust/tree/master/deeprobust/graph). The repository enables us to conduct empirical studies to deepen our understandings on attacks and defenses on graphs.

AI agents often fail in ways that are difficult to localize because executions are probabilistic, long-horizon, multi-agent, and mediated by noisy tool outputs. We address this gap by manually annotating failed agent runs and release a novel benchmark of 115 failed trajectories spanning structured API workflows, incident management, and open-ended web/file tasks. Each trajectory is annotated with a critical failure step and a category from a grounded-theory derived, cross-domain failure taxonomy. To mitigate the human cost of failure attribution, we present AGENTRX, an automated domain-agnostic diagnostic framework that pinpoints the critical failure step in a failed agent trajectory. It synthesizes constraints, evaluates them step-by-step, and produces an auditable validation log of constraint violations with associated evidence; an LLM-based judge uses this log to localize the critical step and category. Our framework improves step localization and failure attribution over existing baselines across three domains.

This work presents a systematic investigation into the latent knowledge encoded within Network Foundation Models (NFMs) that focuses on hidden representations analysis rather than pure downstream task performance. Different from existing efforts, we analyze the models through a three-part evaluation: Embedding Geometry Analysis to assess representation space utilization, Metric Alignment Assessment to measure correspondence with domain-expert features, and Causal Sensitivity Testing to evaluate robustness to protocol perturbations. Using five diverse network datasets spanning controlled and real-world environments, we evaluate four state-of-the-art NFMs, revealing that they all exhibit significant anisotropy, inconsistent feature sensitivity patterns, an inability to separate the high-level context, payload dependency, and other properties. Our work identifies numerous limitations across all models and demonstrates that addressing them can significantly improve model performance (by up to +0.35 F_1 score without architectural changes).

Graph neural networks achieve high accuracy in link prediction by jointly leveraging graph topology and node attributes. Topology, however, is represented indirectly; state-of-the-art methods based on subgraph classification label nodes with distance to the target link, so that, although topological information is present, it is tempered by pooling. This makes it challenging to leverage features like loops and motifs associated with network formation mechanisms. We propose a link prediction algorithm based on a new pooling scheme called WalkPool. WalkPool combines the expressivity of topological heuristics with the feature-learning ability of neural networks. It summarizes a putative link by random walk probabilities of adjacent paths. Instead of extracting transition probabilities from the original graph, it computes the transition matrix of a "predictive" latent graph by applying attention to learned features; this may be interpreted as feature-sensitive topology fingerprinting. WalkPool can leverage unsupervised node features or be combined with GNNs and trained end-to-end. It outperforms state-of-the-art methods on all common link prediction benchmarks, both homophilic and heterophilic, with and without node attributes. Applying WalkPool to a set of unsupervised GNNs significantly improves prediction accuracy, suggesting that it may be used as a general-purpose graph pooling scheme.

Graph neural architecture search has sparked much attention as Graph Neural Networks (GNNs) have shown powerful reasoning capability in many relational tasks. However, the currently used graph search space overemphasizes learning node features and neglects mining hierarchical relational information. Moreover, due to diverse mechanisms in the message passing, the graph search space is much larger than that of CNNs. This hinders the straightforward application of classical search strategies for exploring complicated graph search space. We propose Automatic Relation-aware Graph Network Proliferation (ARGNP) for efficiently searching GNNs with a relation-guided message passing mechanism. Specifically, we first devise a novel dual relation-aware graph search space that comprises both node and relation learning operations. These operations can extract hierarchical node/relational information and provide anisotropic guidance for message passing on a graph. Second, analogous to cell proliferation, we design a network proliferation search paradigm to progressively determine the GNN architectures by iteratively performing network division and differentiation. The experiments on six datasets for four graph learning tasks demonstrate that GNNs produced by our method are superior to the current state-of-the-art hand-crafted and search-based GNNs. Codes are available at https://github.com/phython96/ARGNP.

Network pruning, aimed at reducing network size while preserving accuracy, has attracted significant research interest. Numerous pruning techniques have been proposed over time. They are becoming increasingly effective, but more complex and harder to interpret as well. Given the inherent complexity of neural networks, we argue that manually designing pruning criteria has reached a bottleneck. To address this, we propose a novel approach in which we "use a neural network to prune neural networks". More specifically, we introduce the newly developed idea of metanetwork from meta-learning into pruning. A metanetwork is a network that takes another network as input and produces a modified network as output. In this paper, we first establish a bijective mapping between neural networks and graphs, and then employ a graph neural network as our metanetwork. We train a metanetwork that learns the pruning strategy automatically which can transform a network that is hard to prune into another network that is much easier to prune. Once the metanetwork is trained, our pruning needs nothing more than a feedforward through the metanetwork and the standard finetuning to prune at state-of-the-art. Our method achieved outstanding results on many popular and representative pruning tasks (including ResNet56 on CIFAR10, VGG19 on CIFAR100, ResNet50 on ImageNet). Our code is available at https://github.com/Yewei-Liu/MetaPruning

This paper systematically diagnoses the training failure modes of Token-Choice sparse Mixture-of-Experts (MoE) on video Diffusion Transformers. Starting from a pretrained dense model of about 5 billion parameters, we convert it into an MoE architecture following three laws: routed experts exactly clone the original FFN weights, shared experts are initialized to zero for verification and then to extremely small non-zero noise for actual training, while only the gating networks start from random initialization. Experiments reveal a hierarchy of five failure modes: (1) linear routers suffer global soft saturation with complete expert homogenization; (2) MLP routers introduce selective deadlock, where roughly one-third of layers degenerate into a single-expert mode that cannot be prevented by increasing the auxiliary loss; (3) cross-attention routers exhibit preliminary self-recovery, yet about nine layers remain stubbornly deadlocked; (4) deadlocked layers display a U-shaped distribution, concentrated in shallow visual processing layers and deep semantic integration layers; (5) bfloat16 mixed precision causes tiny weight updates to be truncated to zero by hardware. Based on routing decision time series over 65 million tokens across 5,000 training steps, we propose the Functional Redundancy Hypothesis: deadlock is a rational waiting strategy before the shared expert matures within the gate-shared expert-routed expert triadic system. This hypothesis is supported by the theory of functional redundancy in systems biology. On the engineering side, we summarize the Three Laws of dense-to-MoE conversion and provide a complete solution for the bfloat16 precision trap. We calibrate the current capability boundary of the Token-Choice paradigm and outline a three-step evolutionary roadmap from visual unification to a world model.

Neural network pruning techniques can reduce the parameter counts of trained networks by over 90%, decreasing storage requirements and improving computational performance of inference without compromising accuracy. However, contemporary experience is that the sparse architectures produced by pruning are difficult to train from the start, which would similarly improve training performance. We find that a standard pruning technique naturally uncovers subnetworks whose initializations made them capable of training effectively. Based on these results, we articulate the "lottery ticket hypothesis:" dense, randomly-initialized, feed-forward networks contain subnetworks ("winning tickets") that - when trained in isolation - reach test accuracy comparable to the original network in a similar number of iterations. The winning tickets we find have won the initialization lottery: their connections have initial weights that make training particularly effective. We present an algorithm to identify winning tickets and a series of experiments that support the lottery ticket hypothesis and the importance of these fortuitous initializations. We consistently find winning tickets that are less than 10-20% of the size of several fully-connected and convolutional feed-forward architectures for MNIST and CIFAR10. Above this size, the winning tickets that we find learn faster than the original network and reach higher test accuracy.

In this paper, we propose XG-BoT, an explainable deep graph neural network model for botnet node detection. The proposed model comprises a botnet detector and an explainer for automatic forensics. The XG-BoT detector can effectively detect malicious botnet nodes in large-scale networks. Specifically, it utilizes a grouped reversible residual connection with a graph isomorphism network to learn expressive node representations from botnet communication graphs. The explainer, based on the GNNExplainer and saliency map in XG-BoT, can perform automatic network forensics by highlighting suspicious network flows and related botnet nodes. We evaluated XG-BoT using real-world, large-scale botnet network graph datasets. Overall, XG-BoT outperforms state-of-the-art approaches in terms of key evaluation metrics. Additionally, we demonstrate that the XG-BoT explainers can generate useful explanations for automatic network forensics.

Out-of-distribution (OOD) detection is the problem of identifying inputs which are unrelated to the in-distribution task. The OOD detection performance when the in-distribution (ID) is ImageNet-1K is commonly being tested on a small range of test OOD datasets. We find that most of the currently used test OOD datasets, including datasets from the open set recognition (OSR) literature, have severe issues: In some cases more than 50% of the dataset contains objects belonging to one of the ID classes. These erroneous samples heavily distort the evaluation of OOD detectors. As a solution, we introduce with NINCO a novel test OOD dataset, each sample checked to be ID free, which with its fine-grained range of OOD classes allows for a detailed analysis of an OOD detector's strengths and failure modes, particularly when paired with a number of synthetic "OOD unit-tests". We provide detailed evaluations across a large set of architectures and OOD detection methods on NINCO and the unit-tests, revealing new insights about model weaknesses and the effects of pretraining on OOD detection performance. We provide code and data at https://github.com/j-cb/NINCO.

LLM-based multi-agent systems increasingly coordinate planning, reasoning, tool use, and human interaction, yet their reliability remains limited. A central source of this limitation is the underspecified prompt--harness boundary. Current systems lack a principled way to decide which workflow commitments should remain in prompts and which should become harness structure. We present XFlow, an executable protocol programming system for reliable multi-agent workflows, and XPF (XFlow Protocol Format), its domain-specific protocol programming language. XFlow occupies a middle position between prompt-only orchestration and markup-like workflow descriptions. XPF remains readable as a literate protocol, but it is compiled and executed as a program. Its design keeps informal semantic work inside actors while moving selected commitments into harness structure that can be checked, preserved, and enforced. At runtime, XFlow stages uncertainty through lifecycle-governed symbols, which are typed state cells with validation and commit states. Actor outputs are mediated before they become shared state, instead of spreading through prompts, transcripts, or implicit memory. Our experiments cover Constrained Interaction, Long-Context Reasoning, and Agentic Software Engineering. They show that XFlow improves reliability by making constraints, evidence handling, and process requirements explicit and enforceable.

Neural network training can be accelerated when a learnable update rule is used in lieu of classic adaptive optimizers (e.g. Adam). However, learnable update rules can be costly and unstable to train and use. A simpler recently proposed approach to accelerate training is to use Adam for most of the optimization steps and periodically, only every few steps, nowcast (predict future) parameters. We improve this approach by Neuron interaction and Nowcasting (NiNo) networks. NiNo leverages neuron connectivity and graph neural networks to more accurately nowcast parameters by learning in a supervised way from a set of training trajectories over multiple tasks. We show that in some networks, such as Transformers, neuron connectivity is non-trivial. By accurately modeling neuron connectivity, we allow NiNo to accelerate Adam training by up to 50\% in vision and language tasks.

Despite the success of neural networks (NNs), there is still a concern among many over their "black box" nature. Why do they work? Here we present a simple analytic argument that NNs are in fact essentially polynomial regression models. This view will have various implications for NNs, e.g. providing an explanation for why convergence problems arise in NNs, and it gives rough guidance on avoiding overfitting. In addition, we use this phenomenon to predict and confirm a multicollinearity property of NNs not previously reported in the literature. Most importantly, given this loose correspondence, one may choose to routinely use polynomial models instead of NNs, thus avoiding some major problems of the latter, such as having to set many tuning parameters and dealing with convergence issues. We present a number of empirical results; in each case, the accuracy of the polynomial approach matches or exceeds that of NN approaches. A many-featured, open-source software package, polyreg, is available.

Large language models trained for safety and harmlessness remain susceptible to adversarial misuse, as evidenced by the prevalence of "jailbreak" attacks on early releases of ChatGPT that elicit undesired behavior. Going beyond recognition of the issue, we investigate why such attacks succeed and how they can be created. We hypothesize two failure modes of safety training: competing objectives and mismatched generalization. Competing objectives arise when a model's capabilities and safety goals conflict, while mismatched generalization occurs when safety training fails to generalize to a domain for which capabilities exist. We use these failure modes to guide jailbreak design and then evaluate state-of-the-art models, including OpenAI's GPT-4 and Anthropic's Claude v1.3, against both existing and newly designed attacks. We find that vulnerabilities persist despite the extensive red-teaming and safety-training efforts behind these models. Notably, new attacks utilizing our failure modes succeed on every prompt in a collection of unsafe requests from the models' red-teaming evaluation sets and outperform existing ad hoc jailbreaks. Our analysis emphasizes the need for safety-capability parity -- that safety mechanisms should be as sophisticated as the underlying model -- and argues against the idea that scaling alone can resolve these safety failure modes.

Neural Architecture Search (NAS) aims to find efficient models for multiple tasks. Beyond seeking solutions for a single task, there are surging interests in transferring network design knowledge across multiple tasks. In this line of research, effectively modeling task correlations is vital yet highly neglected. Therefore, we propose Arch-Graph, a transferable NAS method that predicts task-specific optimal architectures with respect to given task embeddings. It leverages correlations across multiple tasks by using their embeddings as a part of the predictor's input for fast adaptation. We also formulate NAS as an architecture relation graph prediction problem, with the relational graph constructed by treating candidate architectures as nodes and their pairwise relations as edges. To enforce some basic properties such as acyclicity in the relational graph, we add additional constraints to the optimization process, converting NAS into the problem of finding a Maximal Weighted Acyclic Subgraph (MWAS). Our algorithm then strives to eliminate cycles and only establish edges in the graph if the rank results can be trusted. Through MWAS, Arch-Graph can effectively rank candidate models for each task with only a small budget to finetune the predictor. With extensive experiments on TransNAS-Bench-101, we show Arch-Graph's transferability and high sample efficiency across numerous tasks, beating many NAS methods designed for both single-task and multi-task search. It is able to find top 0.16\% and 0.29\% architectures on average on two search spaces under the budget of only 50 models.

Recent studies have drawn attention to the untapped potential of the "star operation" (element-wise multiplication) in network design. While intuitive explanations abound, the foundational rationale behind its application remains largely unexplored. Our study attempts to reveal the star operation's ability to map inputs into high-dimensional, non-linear feature spaces -- akin to kernel tricks -- without widening the network. We further introduce StarNet, a simple yet powerful prototype, demonstrating impressive performance and low latency under compact network structure and efficient budget. Like stars in the sky, the star operation appears unremarkable but holds a vast universe of potential. Our work encourages further exploration across tasks, with codes available at https://github.com/ma-xu/Rewrite-the-Stars.

Post-training alignment in large reasoning models (LRMs) has significantly improved their adaptability to diverse safety compliance settings. However, as LRMs personalization for downstream users takes center stage, the demand for varying levels of policy compliance grows as different user-specific LRMs must adhere to distinct subsets of safety policies. Training a separate LRM for each policy subset introduces severe combinatorial overhead. While in context learning methods overcome this combinatorial overhead, they introduce additional computational challenges associated with long context generation. To address this challenge, we propose \ours, a unified adaptive hypernetwork-based framework for multi-policy compliance. In our framework, safety policies serve as customizable inputs to a LoRA adapter generator, which learns to produce policy compliant LoRA weights for downstream LRM. When added to the LRM these weights enable the generation of responses compliant with the specified policy subsets. In this work, we demonstrate that training such a hypernetwork enables on-demand policy adjustments on a single LRM without sacrificing task performance across reasoning models of different sized and different evaluation datasets. This highlights the effectiveness and practicality of adaptive hypernetwork based alignment in LRMs.

Interpretability tools are increasingly used to analyze failures of Large Language Models (LLMs), yet prior work largely focuses on short prompts or toy settings, leaving their behavior on commonly used benchmarks underexplored. To address this gap, we study contrastive, LRP-based attribution as a practical tool for analyzing LLM failures in realistic settings. We formulate failure analysis as contrastive attribution, attributing the logit difference between an incorrect output token and a correct alternative to input tokens and internal model states, and introduce an efficient extension that enables construction of cross-layer attribution graphs for long-context inputs. Using this framework, we conduct a systematic empirical study across benchmarks, comparing attribution patterns across datasets, model sizes, and training checkpoints. Our results show that this token-level contrastive attribution can yield informative signals in some failure cases, but is not universally applicable, highlighting both its utility and its limitations for realistic LLM failure analysis. Our code is available at: https://aka.ms/Debug-XAI.

Locating the source of an epidemic, or patient zero (P0), can provide critical insights into the infection's transmission course and allow efficient resource allocation. Existing methods use graph-theoretic centrality measures and expensive message-passing algorithms, requiring knowledge of the underlying dynamics and its parameters. In this paper, we revisit this problem using graph neural networks (GNNs) to learn P0. We establish a theoretical limit for the identification of P0 in a class of epidemic models. We evaluate our method against different epidemic models on both synthetic and a real-world contact network considering a disease with history and characteristics of COVID-19. % We observe that GNNs can identify P0 close to the theoretical bound on accuracy, without explicit input of dynamics or its parameters. In addition, GNN is over 100 times faster than classic methods for inference on arbitrary graph topologies. Our theoretical bound also shows that the epidemic is like a ticking clock, emphasizing the importance of early contact-tracing. We find a maximum time after which accurate recovery of the source becomes impossible, regardless of the algorithm used.

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

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.

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

Transformers have achieved great success in many artificial intelligence fields, such as natural language processing, computer vision, and audio processing. Therefore, it is natural to attract lots of interest from academic and industry researchers. Up to the present, a great variety of Transformer variants (a.k.a. X-formers) have been proposed, however, a systematic and comprehensive literature review on these Transformer variants is still missing. In this survey, we provide a comprehensive review of various X-formers. We first briefly introduce the vanilla Transformer and then propose a new taxonomy of X-formers. Next, we introduce the various X-formers from three perspectives: architectural modification, pre-training, and applications. Finally, we outline some potential directions for future research.

It has been shown that a message passing neural networks (MPNNs), a popular family of neural networks for graph-structured data, are at most as expressive as the first-order Weisfeiler-Leman (1-WL) graph isomorphism test, which has motivated the development of more expressive architectures. In this work, we analyze if the limited expressiveness is actually a limiting factor for MPNNs and other WL-based models in standard graph datasets. Interestingly, we find that the expressiveness of WL is sufficient to identify almost all graphs in most datasets. Moreover, we find that the classification accuracy upper bounds are often close to 100\%. Furthermore, we find that simple WL-based neural networks and several MPNNs can be fitted to several datasets. In sum, we conclude that the performance of WL/MPNNs is not limited by their expressiveness in practice.

Repositories of large software systems have become commonplace. This massive expansion has resulted in the emergence of various problems in these software platforms including identification of (i) bug-prone packages, (ii) critical bugs, and (iii) severity of bugs. One of the important goals would be to mine these bugs and recommend them to the developers to resolve them. The first step to this is that one has to accurately detect the extent of severity of the bugs. In this paper, we take up this task of predicting the severity of bugs in the near future. Contextualized neural models built on the text description of a bug and the user comments about the bug help to achieve reasonably good performance. Further information on how the bugs are related to each other in terms of the ways they affect packages can be summarised in the form of a graph and used along with the text to get additional benefits.

Efforts to overcome catastrophic forgetting have primarily centered around developing more effective Continual Learning (CL) methods. In contrast, less attention was devoted to analyzing the role of network architecture design (e.g., network depth, width, and components) in contributing to CL. This paper seeks to bridge this gap between network architecture design and CL, and to present a holistic study on the impact of network architectures on CL. This work considers architecture design at the network scaling level, i.e., width and depth, and also at the network components, i.e., skip connections, global pooling layers, and down-sampling. In both cases, we first derive insights through systematically exploring how architectural designs affect CL. Then, grounded in these insights, we craft a specialized search space for CL and further propose a simple yet effective ArchCraft method to steer a CL-friendly architecture, namely, this method recrafts AlexNet/ResNet into AlexAC/ResAC. Experimental validation across various CL settings and scenarios demonstrates that improved architectures are parameter-efficient, achieving state-of-the-art performance of CL while being 86%, 61%, and 97% more compact in terms of parameters than the naive CL architecture in Task IL and Class IL. Code is available at https://github.com/byyx666/ArchCraft.

Training modern LLMs is extremely resource intensive, and customizing them for various deployment scenarios characterized by limited compute and memory resources through repeated training is impractical. In this paper, we introduce Flextron, a network architecture and post-training model optimization framework supporting flexible model deployment. The Flextron architecture utilizes a nested elastic structure to rapidly adapt to specific user-defined latency and accuracy targets during inference with no additional fine-tuning required. It is also input-adaptive, and can automatically route tokens through its sub-networks for improved performance and efficiency. We present a sample-efficient training method and associated routing algorithms for systematically transforming an existing trained LLM into a Flextron model. We evaluate Flextron on the GPT-3 and LLama-2 family of LLMs, and demonstrate superior performance over multiple end-to-end trained variants and other state-of-the-art elastic networks, all with a single pretraining run that consumes a mere 7.63% tokens compared to original pretraining.

We introduce a new proxy score for evaluating bitext mining based on similarity in a multilingual embedding space: xSIM++. In comparison to xSIM, this improved proxy leverages rule-based approaches to extend English sentences in any evaluation set with synthetic, hard-to-distinguish examples which more closely mirror the scenarios we encounter during large-scale mining. We validate this proxy by running a significant number of bitext mining experiments for a set of low-resource languages, and subsequently train NMT systems on the mined data. In comparison to xSIM, we show that xSIM++ is better correlated with the downstream BLEU scores of translation systems trained on mined bitexts, providing a reliable proxy of bitext mining performance without needing to run expensive bitext mining pipelines. xSIM++ also reports performance for different error types, offering more fine-grained feedback for model development.