Daily Papers

Video captioning aims to generate natural language descriptions according to the content, where representation learning plays a crucial role. Existing methods are mainly developed within the supervised learning framework via word-by-word comparison of the generated caption against the ground-truth text without fully exploiting linguistic semantics. In this work, we propose a hierarchical modular network to bridge video representations and linguistic semantics from three levels before generating captions. In particular, the hierarchy is composed of: (I) Entity level, which highlights objects that are most likely to be mentioned in captions. (II) Predicate level, which learns the actions conditioned on highlighted objects and is supervised by the predicate in captions. (III) Sentence level, which learns the global semantic representation and is supervised by the whole caption. Each level is implemented by one module. Extensive experimental results show that the proposed method performs favorably against the state-of-the-art models on the two widely-used benchmarks: MSVD 104.0% and MSR-VTT 51.5% in CIDEr score.

For robots to operate in general environments like households, they must be able to perform non-prehensile manipulation actions such as toppling and rolling to manipulate ungraspable objects. However, prior works on non-prehensile manipulation cannot yet generalize across environments with diverse geometries. The main challenge lies in adapting to varying environmental constraints: within a cabinet, the robot must avoid walls and ceilings; to lift objects to the top of a step, the robot must account for the step's pose and extent. While deep reinforcement learning (RL) has demonstrated impressive success in non-prehensile manipulation, accounting for such variability presents a challenge for the generalist policy, as it must learn diverse strategies for each new combination of constraints. To address this, we propose a modular and reconfigurable architecture that adaptively reconfigures network modules based on task requirements. To capture the geometric variability in environments, we extend the contact-based object representation (CORN) to environment geometries, and propose a procedural algorithm for generating diverse environments to train our agent. Taken together, the resulting policy can zero-shot transfer to novel real-world environments and objects despite training entirely within a simulator. We additionally release a simulation-based benchmark featuring nine digital twins of real-world scenes with 353 objects to facilitate non-prehensile manipulation research in realistic domains.

Mathematical researchers, especially those in early-career positions, face critical decisions about topic specialization with limited information about the collaborative environments of different research areas. The aim of this paper is to study how the popularity of a research topic is associated with the structure of that topic's collaboration network, as observed by a suite of measures capturing organizational structure at several scales. We apply these measures to 1,938 algorithmically discovered topics across 121,391 papers sourced from arXiv metadata during the period 2020--2025. Our analysis, which controls for the confounding effects of network size, reveals a structural dichotomy--we find that popular topics organize into modular "schools of thought," while niche topics maintain hierarchical core-periphery structures centered around established experts. This divide is not an artifact of scale, but represents a size-independent structural pattern correlated with popularity. We also document a "constraint reversal": after controlling for size, researchers in popular fields face greater structural constraints on collaboration opportunities, contrary to conventional expectations. Our findings suggest that topic selection is an implicit choice between two fundamentally different collaborative environments, each with distinct implications for a researcher's career. To make these structural patterns transparent to the research community, we developed the Math Research Compass (https://mathresearchcompass.com), an interactive platform providing data on topic popularity and collaboration patterns across mathematical topics.

Most real-world graphs exhibit a hierarchical structure, which is often overlooked by existing graph generation methods. To address this limitation, we propose a novel graph generative network that captures the hierarchical nature of graphs and successively generates the graph sub-structures in a coarse-to-fine fashion. At each level of hierarchy, this model generates communities in parallel, followed by the prediction of cross-edges between communities using separate neural networks. This modular approach enables scalable graph generation for large and complex graphs. Moreover, we model the output distribution of edges in the hierarchical graph with a multinomial distribution and derive a recursive factorization for this distribution. This enables us to generate community graphs with integer-valued edge weights in an autoregressive manner. Empirical studies demonstrate the effectiveness and scalability of our proposed generative model, achieving state-of-the-art performance in terms of graph quality across various benchmark datasets. The code is available at https://github.com/Karami-m/HiGen_main.

Transfer learning has recently become the dominant paradigm of machine learning. Pre-trained models fine-tuned for downstream tasks achieve better performance with fewer labelled examples. Nonetheless, it remains unclear how to develop models that specialise towards multiple tasks without incurring negative interference and that generalise systematically to non-identically distributed tasks. Modular deep learning has emerged as a promising solution to these challenges. In this framework, units of computation are often implemented as autonomous parameter-efficient modules. Information is conditionally routed to a subset of modules and subsequently aggregated. These properties enable positive transfer and systematic generalisation by separating computation from routing and updating modules locally. We offer a survey of modular architectures, providing a unified view over several threads of research that evolved independently in the scientific literature. Moreover, we explore various additional purposes of modularity, including scaling language models, causal inference, programme induction, and planning in reinforcement learning. Finally, we report various concrete applications where modularity has been successfully deployed such as cross-lingual and cross-modal knowledge transfer. Related talks and projects to this survey, are available at https://www.modulardeeplearning.com/.

Many complex tasks can be decomposed into simpler, independent parts. Discovering such underlying compositional structure has the potential to enable compositional generalization. Despite progress, our most powerful systems struggle to compose flexibly. It therefore seems natural to make models more modular to help capture the compositional nature of many tasks. However, it is unclear under which circumstances modular systems can discover hidden compositional structure. To shed light on this question, we study a teacher-student setting with a modular teacher where we have full control over the composition of ground truth modules. This allows us to relate the problem of compositional generalization to that of identification of the underlying modules. In particular we study modularity in hypernetworks representing a general class of multiplicative interactions. We show theoretically that identification up to linear transformation purely from demonstrations is possible without having to learn an exponential number of module combinations. We further demonstrate empirically that under the theoretically identified conditions, meta-learning from finite data can discover modular policies that generalize compositionally in a number of complex environments.

Incorporating modular designs into neural networks demonstrates superior out-of-generalization, learning efficiency, etc. Existing modular neural networks are generally explicit because their modular architectures are pre-defined, and individual modules are expected to implement distinct functions. Conversely, recent works reveal that there exist implicit modular structures in standard pre-trained transformers, namely Emergent Modularity. They indicate that such modular structures exhibit during the early pre-training phase and are totally spontaneous. However, most transformers are still treated as monolithic models with their modular natures underutilized. Therefore, given the excellent properties of explicit modular architecture, we explore whether and how dense pre-trained transformers can benefit from emergent modular structures. To study this question, we construct Emergent Mixture-of-Experts (EMoE). Without introducing additional parameters, EMoE can be seen as the modular counterpart of the original model and can be effortlessly incorporated into downstream tuning. Extensive experiments (we tune 1785 models) on various downstream tasks (vision and language) and models (22M to1.5B) demonstrate that EMoE effectively boosts in-domain and out-of-domain generalization abilities. Further analysis and ablation study suggest that EMoE mitigates negative knowledge transfer and is robust to various configurations. Code is available at https://github.com/qiuzh20/EMoE

Advancements in LLMs have recently unveiled challenges tied to computational efficiency and continual scalability due to their requirements of huge parameters, making the applications and evolution of these models on devices with limited computation resources and scenarios requiring various abilities increasingly cumbersome. Inspired by modularity within the human brain, there is a growing tendency to decompose LLMs into numerous functional modules, allowing for inference with part of modules and dynamic assembly of modules to tackle complex tasks, such as mixture-of-experts. To highlight the inherent efficiency and composability of the modular approach, we coin the term brick to represent each functional module, designating the modularized structure as configurable foundation models. In this paper, we offer a comprehensive overview and investigation of the construction, utilization, and limitation of configurable foundation models. We first formalize modules into emergent bricks - functional neuron partitions that emerge during the pre-training phase, and customized bricks - bricks constructed via additional post-training to improve the capabilities and knowledge of LLMs. Based on diverse functional bricks, we further present four brick-oriented operations: retrieval and routing, merging, updating, and growing. These operations allow for dynamic configuration of LLMs based on instructions to handle complex tasks. To verify our perspective, we conduct an empirical analysis on widely-used LLMs. We find that the FFN layers follow modular patterns with functional specialization of neurons and functional neuron partitions. Finally, we highlight several open issues and directions for future research. Overall, this paper aims to offer a fresh modular perspective on existing LLM research and inspire the future creation of more efficient and scalable foundational models.

Modular neural architectures are gaining increasing attention due to their powerful capability for generalization and sample-efficient adaptation to new domains. However, training modular models, particularly in the early stages, poses challenges due to the optimization difficulties arising from their intrinsic sparse connectivity. Leveraging the knowledge from monolithic models, using techniques such as knowledge distillation, is likely to facilitate the training of modular models and enable them to integrate knowledge from multiple models pretrained on diverse sources. Nevertheless, conventional knowledge distillation approaches are not tailored to modular models and can fail when directly applied due to the unique architectures and the enormous number of parameters involved. Motivated by these challenges, we propose a general module-to-module knowledge distillation (m2mKD) method for transferring knowledge between modules. Our approach involves teacher modules split from a pretrained monolithic model, and student modules of a modular model. m2mKD separately combines these modules with a shared meta model and encourages the student module to mimic the behaviour of the teacher module. We evaluate the effectiveness of m2mKD on two distinct modular neural architectures: Neural Attentive Circuits (NACs) and Vision Mixture-of-Experts (V-MoE). By applying m2mKD to NACs, we achieve significant improvements in IID accuracy on Tiny-ImageNet (up to 5.6%) and OOD robustness on Tiny-ImageNet-R (up to 4.2%). On average, we observe a 1% gain in both ImageNet and ImageNet-R. The V-MoE-Base model trained using m2mKD also achieves 3.5% higher accuracy than end-to-end training on ImageNet. The experimental results demonstrate that our method offers a promising solution for connecting modular networks with pretrained monolithic models. Code is available at https://github.com/kamanphoebe/m2mKD.

Accurately predicting stock market movements remains a formidable challenge due to the inherent volatility and complex interdependencies among stocks. Although multi-scale Graph Neural Networks (GNNs) hold potential for modeling these relationships, they frequently neglect two key points: the subtle intra-attribute patterns within each stock affecting inter-stock correlation, and the biased attention to coarse- and fine-grained features during multi-scale sampling. To overcome these challenges, we introduce MS-HGFN (Multi-Scale Hierarchical Graph Fusion Network). The model features a hierarchical GNN module that forms dynamic graphs by learning patterns from intra-attributes and features from inter-attributes over different time scales, thus comprehensively capturing spatio-temporal dependencies. Additionally, a top-down gating approach facilitates the integration of multi-scale spatio-temporal features, preserving critical coarse- and fine-grained features without too much interference. Experiments utilizing real-world datasets from U.S. and Chinese stock markets demonstrate that MS-HGFN outperforms both traditional and advanced models, yielding up to a 1.4% improvement in prediction accuracy and enhanced stability in return simulations. The code is available at https://anonymous.4open.science/r/MS-HGFN.

Hierarchical clustering of networks consists in finding a tree of communities, such that lower levels of the hierarchy reveal finer-grained community structures. There are two main classes of algorithms tackling this problem. Divisive (top-down) algorithms recursively partition the nodes into two communities, until a stopping rule indicates that no further split is needed. In contrast, agglomerative (bottom-up) algorithms first identify the smallest community structure and then repeatedly merge the communities using a linkage method. In this article, we establish theoretical guarantees for the recovery of the hierarchical tree and community structure of a Hierarchical Stochastic Block Model by a bottom-up algorithm. We also establish that this bottom-up algorithm attains the information-theoretic threshold for exact recovery at intermediate levels of the hierarchy. Notably, these recovery conditions are less restrictive compared to those existing for top-down algorithms. This shows that bottom-up algorithms extend the feasible region for achieving exact recovery at intermediate levels. Numerical experiments on both synthetic and real data sets confirm the superiority of bottom-up algorithms over top-down algorithms. We also observe that top-down algorithms can produce dendrograms with inversions. These findings contribute to a better understanding of hierarchical clustering techniques and their applications in network analysis.

As the size of deep learning models continues to grow, finding optimal models under memory and computation constraints becomes increasingly more important. Although usually the architecture and constituent building blocks of neural networks allow them to be used in a modular way, their training process is not aware of this modularity. Consequently, conventional neural network training lacks the flexibility to adapt the computational load of the model during inference. This paper proposes SortedNet, a generalized and scalable solution to harness the inherent modularity of deep neural networks across various dimensions for efficient dynamic inference. Our training considers a nested architecture for the sub-models with shared parameters and trains them together with the main model in a sorted and probabilistic manner. This sorted training of sub-networks enables us to scale the number of sub-networks to hundreds using a single round of training. We utilize a novel updating scheme during training that combines random sampling of sub-networks with gradient accumulation to improve training efficiency. Furthermore, the sorted nature of our training leads to a search-free sub-network selection at inference time; and the nested architecture of the resulting sub-networks leads to minimal storage requirement and efficient switching between sub-networks at inference. Our general dynamic training approach is demonstrated across various architectures and tasks, including large language models and pre-trained vision models. Experimental results show the efficacy of the proposed approach in achieving efficient sub-networks while outperforming state-of-the-art dynamic training approaches. Our findings demonstrate the feasibility of training up to 160 different sub-models simultaneously, showcasing the extensive scalability of our proposed method while maintaining 96% of the model performance.

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

Neural Module Networks, originally proposed for the task of visual question answering, are a class of neural network architectures that involve human-specified neural modules, each designed for a specific form of reasoning. In current formulations of such networks only the parameters of the neural modules and/or the order of their execution is learned. In this work, we further expand this approach and also learn the underlying internal structure of modules in terms of the ordering and combination of simple and elementary arithmetic operators. Our results show that one is indeed able to simultaneously learn both internal module structure and module sequencing without extra supervisory signals for module execution sequencing. With this approach, we report performance comparable to models using hand-designed modules.

Graph neural networks (GNNs) have become compelling models designed to perform learning and inference on graph-structured data. However, little work has been done to understand the fundamental limitations of GNNs for scaling to larger graphs and generalizing to out-of-distribution (OOD) inputs. In this paper, we use a random graph generator to systematically investigate how the graph size and structural properties affect the predictive performance of GNNs. We present specific evidence that the average node degree is a key feature in determining whether GNNs can generalize to unseen graphs, and that the use of multiple node update functions can improve the generalization performance of GNNs when dealing with graphs of multimodal degree distributions. Accordingly, we propose a multi-module GNN framework that allows the network to adapt flexibly to new graphs by generalizing a single canonical nonlinear transformation over aggregated inputs. Our results show that the multi-module GNNs improve the OOD generalization on a variety of inference tasks in the direction of diverse structural features.

Recent advances in representation learning on graphs, mainly leveraging graph convolutional networks, have brought a substantial improvement on many graph-based benchmark tasks. While novel approaches to learning node embeddings are highly suitable for node classification and link prediction, their application to graph classification (predicting a single label for the entire graph) remains mostly rudimentary, typically using a single global pooling step to aggregate node features or a hand-designed, fixed heuristic for hierarchical coarsening of the graph structure. An important step towards ameliorating this is differentiable graph coarsening---the ability to reduce the size of the graph in an adaptive, data-dependent manner within a graph neural network pipeline, analogous to image downsampling within CNNs. However, the previous prominent approach to pooling has quadratic memory requirements during training and is therefore not scalable to large graphs. Here we combine several recent advances in graph neural network design to demonstrate that competitive hierarchical graph classification results are possible without sacrificing sparsity. Our results are verified on several established graph classification benchmarks, and highlight an important direction for future research in graph-based neural networks.

Modular approaches, which use a different composition of modules for each problem and avoid forgetting by design, have been shown to be a promising direction in continual learning (CL). However, searching through the large, discrete space of possible module compositions is a challenge because evaluating a composition's performance requires a round of neural network training. To address this challenge, we develop a modular CL framework, called PICLE, that accelerates search by using a probabilistic model to cheaply compute the fitness of each composition. The model combines prior knowledge about good module compositions with dataset-specific information. Its use is complemented by splitting up the search space into subsets, such as perceptual and latent subsets. We show that PICLE is the first modular CL algorithm to achieve different types of transfer while scaling to large search spaces. We evaluate it on two benchmark suites designed to capture different desiderata of CL techniques. On these benchmarks, PICLE offers significantly better performance than state-of-the-art CL baselines.

The structure of biological neural circuits-modular, hierarchical, and sparsely interconnected-reflects an efficient trade-off between wiring cost, functional specialization, and robustness. These principles offer valuable insights for artificial neural network (ANN) design, especially as networks grow in depth and scale. Sparsity, in particular, has been widely explored for reducing memory and computation, improving speed, and enhancing generalization. Motivated by systems neuroscience findings, we explore how patterns of functional connectivity in the mouse visual cortex-specifically, ensemble-to-ensemble communication, can inform ANN design. We introduce G2GNet, a novel architecture that imposes sparse, modular connectivity across feedforward layers. Despite having significantly fewer parameters than fully connected models, G2GNet achieves superior accuracy on standard vision benchmarks. To our knowledge, this is the first architecture to incorporate biologically observed functional connectivity patterns as a structural bias in ANN design. We complement this static bias with a dynamic sparse training (DST) mechanism that prunes and regrows edges during training. We also propose a Hebbian-inspired rewiring rule based on activation correlations, drawing on principles of biological plasticity. G2GNet achieves up to 75% sparsity while improving accuracy by up to 4.3% on benchmarks, including Fashion-MNIST, CIFAR-10, and CIFAR-100, outperforming dense baselines with far fewer computations.

Literature review requires researchers to synthesize a large amount of information and is increasingly challenging as the scientific literature expands. In this work, we investigate the potential of LLMs for producing hierarchical organizations of scientific studies to assist researchers with literature review. We define hierarchical organizations as tree structures where nodes refer to topical categories and every node is linked to the studies assigned to that category. Our naive LLM-based pipeline for hierarchy generation from a set of studies produces promising yet imperfect hierarchies, motivating us to collect CHIME, an expert-curated dataset for this task focused on biomedicine. Given the challenging and time-consuming nature of building hierarchies from scratch, we use a human-in-the-loop process in which experts correct errors (both links between categories and study assignment) in LLM-generated hierarchies. CHIME contains 2,174 LLM-generated hierarchies covering 472 topics, and expert-corrected hierarchies for a subset of 100 topics. Expert corrections allow us to quantify LLM performance, and we find that while they are quite good at generating and organizing categories, their assignment of studies to categories could be improved. We attempt to train a corrector model with human feedback which improves study assignment by 12.6 F1 points. We release our dataset and models to encourage research on developing better assistive tools for literature review.

Inspired by the Many-Worlds Interpretation (MWI), this work introduces a novel neural network architecture that splits the same input signal into parallel branches at each layer, utilizing a Hyper Rectified Activation, referred to as ANDHRA. The branched layers do not merge and form separate network paths, leading to multiple network heads for output prediction. For a network with a branching factor of 2 at three levels, the total number of heads is 2^3 = 8 . The individual heads are jointly trained by combining their respective loss values. However, the proposed architecture requires additional parameters and memory during training due to the additional branches. During inference, the experimental results on CIFAR-10/100 demonstrate that there exists one individual head that outperforms the baseline accuracy, achieving statistically significant improvement with equal parameters and computational cost.

Few prior works study deep learning on point sets. PointNet by Qi et al. is a pioneer in this direction. However, by design PointNet does not capture local structures induced by the metric space points live in, limiting its ability to recognize fine-grained patterns and generalizability to complex scenes. In this work, we introduce a hierarchical neural network that applies PointNet recursively on a nested partitioning of the input point set. By exploiting metric space distances, our network is able to learn local features with increasing contextual scales. With further observation that point sets are usually sampled with varying densities, which results in greatly decreased performance for networks trained on uniform densities, we propose novel set learning layers to adaptively combine features from multiple scales. Experiments show that our network called PointNet++ is able to learn deep point set features efficiently and robustly. In particular, results significantly better than state-of-the-art have been obtained on challenging benchmarks of 3D point clouds.

We explore efficient neural architecture search methods and show that a simple yet powerful evolutionary algorithm can discover new architectures with excellent performance. Our approach combines a novel hierarchical genetic representation scheme that imitates the modularized design pattern commonly adopted by human experts, and an expressive search space that supports complex topologies. Our algorithm efficiently discovers architectures that outperform a large number of manually designed models for image classification, obtaining top-1 error of 3.6% on CIFAR-10 and 20.3% when transferred to ImageNet, which is competitive with the best existing neural architecture search approaches. We also present results using random search, achieving 0.3% less top-1 accuracy on CIFAR-10 and 0.1% less on ImageNet whilst reducing the search time from 36 hours down to 1 hour.

Solving complex classification tasks using deep neural networks typically requires large amounts of annotated data. However, corresponding class labels are noisy when provided by error-prone annotators, e.g., crowd workers. Training standard deep neural networks leads to subpar performances in such multi-annotator supervised learning settings. We address this issue by presenting a probabilistic training framework named multi-annotator deep learning (MaDL). A ground truth and an annotator performance model are jointly trained in an end-to-end learning approach. The ground truth model learns to predict instances' true class labels, while the annotator performance model infers probabilistic estimates of annotators' performances. A modular network architecture enables us to make varying assumptions regarding annotators' performances, e.g., an optional class or instance dependency. Further, we learn annotator embeddings to estimate annotators' densities within a latent space as proxies of their potentially correlated annotations. Together with a weighted loss function, we improve the learning from correlated annotation patterns. In a comprehensive evaluation, we examine three research questions about multi-annotator supervised learning. Our findings indicate MaDL's state-of-the-art performance and robustness against many correlated, spamming annotators.

An approach to improve neural network interpretability is via clusterability, i.e., splitting a model into disjoint clusters that can be studied independently. We define a measure for clusterability and show that pre-trained models form highly enmeshed clusters via spectral graph clustering. We thus train models to be more modular using a "clusterability loss" function that encourages the formation of non-interacting clusters. Using automated interpretability techniques, we show that our method can help train models that are more modular and learn different, disjoint, and smaller circuits. We investigate CNNs trained on MNIST and CIFAR, small transformers trained on modular addition, and language models. Our approach provides a promising direction for training neural networks that learn simpler functions and are easier to interpret.

Hierarchical organization is fundamental to biological systems and human societies, yet artificial intelligence systems often rely on monolithic architectures that limit adaptability and scalability. Current hierarchical reinforcement learning (HRL) approaches typically restrict hierarchies to two levels or require centralized training, which limits their practical applicability. We introduce TAME Agent Framework (TAG), a framework for constructing fully decentralized hierarchical multi-agent systems.TAG enables hierarchies of arbitrary depth through a novel LevelEnv concept, which abstracts each hierarchy level as the environment for the agents above it. This approach standardizes information flow between levels while preserving loose coupling, allowing for seamless integration of diverse agent types. We demonstrate the effectiveness of TAG by implementing hierarchical architectures that combine different RL agents across multiple levels, achieving improved performance over classical multi-agent RL baselines on standard benchmarks. Our results show that decentralized hierarchical organization enhances both learning speed and final performance, positioning TAG as a promising direction for scalable multi-agent systems.

Recurrent neural networks (RNNs) are widely used throughout neuroscience as models of local neural activity. Many properties of single RNNs are well characterized theoretically, but experimental neuroscience has moved in the direction of studying multiple interacting areas, and RNN theory needs to be likewise extended. We take a constructive approach towards this problem, leveraging tools from nonlinear control theory and machine learning to characterize when combinations of stable RNNs will themselves be stable. Importantly, we derive conditions which allow for massive feedback connections between interacting RNNs. We parameterize these conditions for easy optimization using gradient-based techniques, and show that stability-constrained "networks of networks" can perform well on challenging sequential-processing benchmark tasks. Altogether, our results provide a principled approach towards understanding distributed, modular function in the brain.

We present Hierarchical Residual Networks (HiResNets), deep convolutional neural networks with long-range residual connections between layers at different hierarchical levels. HiResNets draw inspiration on the organization of the mammalian brain by replicating the direct connections from subcortical areas to the entire cortical hierarchy. We show that the inclusion of hierarchical residuals in several architectures, including ResNets, results in a boost in accuracy and faster learning. A detailed analysis of our models reveals that they perform hierarchical compositionality by learning feature maps relative to the compressed representations provided by the skip connections.

Unlike cloud-based deep learning models that are often large and uniform, edge-deployed models usually demand customization for domain-specific tasks and resource-limited environments. Such customization processes can be costly and time-consuming due to the diversity of edge scenarios and the training load for each scenario. Although various approaches have been proposed for rapid resource-oriented customization and task-oriented customization respectively, achieving both of them at the same time is challenging. Drawing inspiration from the generative AI and the modular composability of neural networks, we introduce NN-Factory, an one-for-all framework to generate customized lightweight models for diverse edge scenarios. The key idea is to use a generative model to directly produce the customized models, instead of training them. The main components of NN-Factory include a modular supernet with pretrained modules that can be conditionally activated to accomplish different tasks and a generative module assembler that manipulate the modules according to task and sparsity requirements. Given an edge scenario, NN-Factory can efficiently customize a compact model specialized in the edge task while satisfying the edge resource constraints by searching for the optimal strategy to assemble the modules. Based on experiments on image classification and object detection tasks with different edge devices, NN-Factory is able to generate high-quality task- and resource-specific models within few seconds, faster than conventional model customization approaches by orders of magnitude.

Training a unified multilingual model promotes knowledge transfer but inevitably introduces negative interference. Language-specific modeling methods show promise in reducing interference. However, they often rely on heuristics to distribute capacity and struggle to foster cross-lingual transfer via isolated modules. In this paper, we explore intrinsic task modularity within multilingual networks and leverage these observations to circumvent interference under multilingual translation. We show that neurons in the feed-forward layers tend to be activated in a language-specific manner. Meanwhile, these specialized neurons exhibit structural overlaps that reflect language proximity, which progress across layers. Based on these findings, we propose Neuron Specialization, an approach that identifies specialized neurons to modularize feed-forward layers and then continuously updates them through sparse networks. Extensive experiments show that our approach achieves consistent performance gains over strong baselines with additional analyses demonstrating reduced interference and increased knowledge transfer.

The canonical deep learning approach for learning requires computing a gradient term at each layer by back-propagating the error signal from the output towards each learnable parameter. Given the stacked structure of neural networks, where each layer builds on the representation of the layer below, this approach leads to hierarchical representations. More abstract features live on the top layers of the model, while features on lower layers are expected to be less abstract. In contrast to this, we introduce a new learning method named NoProp, which does not rely on either forward or backwards propagation. Instead, NoProp takes inspiration from diffusion and flow matching methods, where each layer independently learns to denoise a noisy target. We believe this work takes a first step towards introducing a new family of gradient-free learning methods, that does not learn hierarchical representations -- at least not in the usual sense. NoProp needs to fix the representation at each layer beforehand to a noised version of the target, learning a local denoising process that can then be exploited at inference. We demonstrate the effectiveness of our method on MNIST, CIFAR-10, and CIFAR-100 image classification benchmarks. Our results show that NoProp is a viable learning algorithm which achieves superior accuracy, is easier to use and computationally more efficient compared to other existing back-propagation-free methods. By departing from the traditional gradient based learning paradigm, NoProp alters how credit assignment is done within the network, enabling more efficient distributed learning as well as potentially impacting other characteristics of the learning process.

Despite incredible progress in language models (LMs) in recent years, largely resulting from moving away from specialized models designed for specific tasks to general models based on powerful architectures (e.g. the Transformer) that learn everything from raw data, pre-processing steps such as tokenization remain a barrier to true end-to-end foundation models. We introduce a collection of new techniques that enable a dynamic chunking mechanism which automatically learns content -- and context -- dependent segmentation strategies learned jointly with the rest of the model. Incorporating this into an explicit hierarchical network (H-Net) allows replacing the (implicitly hierarchical) tokenization-LM-detokenization pipeline with a single model learned fully end-to-end. When compute- and data- matched, an H-Net with one stage of hierarchy operating at the byte level outperforms a strong Transformer language model operating over BPE tokens. Iterating the hierarchy to multiple stages further increases its performance by modeling multiple levels of abstraction, demonstrating significantly better scaling with data and matching a token-based Transformer of twice its size. H-Nets pretrained on English show significantly increased character-level robustness, and qualitatively learn meaningful data-dependent chunking strategies without any heuristics or explicit supervision. Finally, the H-Net's improvement over tokenized pipelines is further increased in languages and modalities with weaker tokenization heuristics, such as Chinese and code, or DNA sequences (nearly 4x improvement in data efficiency over baselines), showing the potential of true end-to-end models that learn and scale better from unprocessed data.

We introduce a design strategy for neural network macro-architecture based on self-similarity. Repeated application of a simple expansion rule generates deep networks whose structural layouts are precisely truncated fractals. These networks contain interacting subpaths of different lengths, but do not include any pass-through or residual connections; every internal signal is transformed by a filter and nonlinearity before being seen by subsequent layers. In experiments, fractal networks match the excellent performance of standard residual networks on both CIFAR and ImageNet classification tasks, thereby demonstrating that residual representations may not be fundamental to the success of extremely deep convolutional neural networks. Rather, the key may be the ability to transition, during training, from effectively shallow to deep. We note similarities with student-teacher behavior and develop drop-path, a natural extension of dropout, to regularize co-adaptation of subpaths in fractal architectures. Such regularization allows extraction of high-performance fixed-depth subnetworks. Additionally, fractal networks exhibit an anytime property: shallow subnetworks provide a quick answer, while deeper subnetworks, with higher latency, provide a more accurate answer.

Large Language Models (LLMs) have achieved remarkable results. But existing models are expensive to train and deploy, and it is also difficult to expand their knowledge beyond pre-training data without forgetting previous knowledge. This paper proposes a new neural network architecture, ModuleFormer, that leverages modularity to improve the efficiency and flexibility of large language models. ModuleFormer is based on the Sparse Mixture of Experts (SMoE). Unlike the previous SMoE-based modular language model [Gururangan et al., 2021], which requires domain-labeled data to learn domain-specific experts, ModuleFormer can induce modularity from uncurated data with its new load balancing and load concentration losses. ModuleFormer is a modular architecture that includes two different types of modules, new stick-breaking attention heads, and feedforward experts. Different modules are sparsely activated conditions on the input token during training and inference. In our experiment, we found that the modular architecture enables three important abilities for large pre-trained language models: 1) Efficiency, since ModuleFormer only activates a subset of its modules for each input token, thus it could achieve the same performance as dense LLMs with more than two times throughput; 2) Extendability, ModuleFormer is more immune to catastrophic forgetting than dense LLMs and can be easily extended with new modules to learn new knowledge that is not included in the training data; 3) Specialisation, finetuning ModuleFormer could specialize a subset of modules to the finetuning task, and the task-unrelated modules could be easily pruned for a lightweight deployment.

Modular and composable transfer learning is an emerging direction in the field of Parameter Efficient Fine-Tuning, as it enables neural networks to better organize various aspects of knowledge, leading to improved cross-task generalization. In this paper, we introduce a novel approach Customized Polytropon C-Poly that combines task-common skills and task-specific skills, while the skill parameters being highly parameterized using low-rank techniques. Each task is associated with a customizable number of exclusive specialized skills and also benefits from skills shared with peer tasks. A skill assignment matrix is jointly learned. To evaluate our approach, we conducted extensive experiments on the Super-NaturalInstructions and the SuperGLUE benchmarks. Our findings demonstrate that C-Poly outperforms fully-shared, task-specific, and skill-indistinguishable baselines, significantly enhancing the sample efficiency in multi-task learning scenarios.

Understanding the internal representations learned by neural networks is a cornerstone challenge in the science of machine learning. While there have been significant recent strides in some cases towards understanding how neural networks implement specific target functions, this paper explores a complementary question -- why do networks arrive at particular computational strategies? Our inquiry focuses on the algebraic learning tasks of modular addition, sparse parities, and finite group operations. Our primary theoretical findings analytically characterize the features learned by stylized neural networks for these algebraic tasks. Notably, our main technique demonstrates how the principle of margin maximization alone can be used to fully specify the features learned by the network. Specifically, we prove that the trained networks utilize Fourier features to perform modular addition and employ features corresponding to irreducible group-theoretic representations to perform compositions in general groups, aligning closely with the empirical observations of Nanda et al. and Chughtai et al. More generally, we hope our techniques can help to foster a deeper understanding of why neural networks adopt specific computational strategies.

In this paper, we present a new MTL framework that searches for structures optimized for multiple tasks with diverse graph topologies and shares features among tasks. We design a restricted DAG-based central network with read-in/read-out layers to build topologically diverse task-adaptive structures while limiting search space and time. We search for a single optimized network that serves as multiple task adaptive sub-networks using our three-stage training process. To make the network compact and discretized, we propose a flow-based reduction algorithm and a squeeze loss used in the training process. We evaluate our optimized network on various public MTL datasets and show ours achieves state-of-the-art performance. An extensive ablation study experimentally validates the effectiveness of the sub-module and schemes in our framework.

A modular design encourages neural models to disentangle and recombine different facets of knowledge to generalise more systematically to new tasks. In this work, we assume that each task is associated with a subset of latent discrete skills from a (potentially small) inventory. In turn, skills correspond to parameter-efficient (sparse / low-rank) model parameterisations. By jointly learning these and a task-skill allocation matrix, the network for each task is instantiated as the average of the parameters of active skills. To favour non-trivial soft partitions of skills across tasks, we experiment with a series of inductive biases, such as an Indian Buffet Process prior and a two-speed learning rate. We evaluate our latent-skill model on two main settings: 1) multitask reinforcement learning for grounded instruction following on 8 levels of the BabyAI platform; and 2) few-shot adaptation of pre-trained text-to-text generative models on CrossFit, a benchmark comprising 160 NLP tasks. We find that the modular design of a network significantly increases sample efficiency in reinforcement learning and few-shot generalisation in supervised learning, compared to baselines with fully shared, task-specific, or conditionally generated parameters where knowledge is entangled across tasks. In addition, we show how discrete skills help interpretability, as they yield an explicit hierarchy of tasks.

Modularization is a cornerstone of computer science, abstracting complex functions into atomic building blocks. In this paper, we introduce a new level of modularization by abstracting generative models into atomic generative modules. Analogous to fractals in mathematics, our method constructs a new type of generative model by recursively invoking atomic generative modules, resulting in self-similar fractal architectures that we call fractal generative models. As a running example, we instantiate our fractal framework using autoregressive models as the atomic generative modules and examine it on the challenging task of pixel-by-pixel image generation, demonstrating strong performance in both likelihood estimation and generation quality. We hope this work could open a new paradigm in generative modeling and provide a fertile ground for future research. Code is available at https://github.com/LTH14/fractalgen.

We present MOSAIC, a modular architecture for home robots to perform complex collaborative tasks, such as cooking with everyday users. MOSAIC tightly collaborates with humans, interacts with users using natural language, coordinates multiple robots, and manages an open vocabulary of everyday objects. At its core, MOSAIC employs modularity: it leverages multiple large-scale pre-trained models for general tasks like language and image recognition, while using streamlined modules designed for task-specific control. We extensively evaluate MOSAIC on 60 end-to-end trials where two robots collaborate with a human user to cook a combination of 6 recipes. We also extensively test individual modules with 180 episodes of visuomotor picking, 60 episodes of human motion forecasting, and 46 online user evaluations of the task planner. We show that MOSAIC is able to efficiently collaborate with humans by running the overall system end-to-end with a real human user, completing 68.3% (41/60) collaborative cooking trials of 6 different recipes with a subtask completion rate of 91.6%. Finally, we discuss the limitations of the current system and exciting open challenges in this domain. The project's website is at https://portal-cornell.github.io/MOSAIC/

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.

Foundation multi-modal models are often designed by stitching of multiple existing pretrained uni-modal models: for example, an image classifier with an text model. This stitching process is performed by training a connector module that aims to align the representation spaces of these uni-modal models towards a multi-modal objective. However, given the complexity of training such connectors on large scale web-based datasets coupled with the ever-increasing number of available pretrained uni-modal models, the task of uni-modal models selection and subsequent connector module training becomes computationally demanding. To address this under-studied critical problem, we propose Hypernetwork Model Alignment (Hyma), a novel all-in-one solution for optimal uni-modal model selection and connector training by leveraging hypernetworks. Specifically, our framework utilizes the parameter prediction capability of a hypernetwork to obtain jointly trained connector modules for N times M combinations of uni-modal models. In our experiments, Hyma reduces the cost of searching for the best performing uni-modal model pair by 10times, while matching the ranking and trained connector performance obtained via grid search across a suite of diverse multi-modal benchmarks.

In multi-task learning, the conventional approach involves training a model on multiple tasks simultaneously. However, the training signals from different tasks can interfere with one another, potentially leading to negative transfer. To mitigate this, we investigate if modular language models can facilitate positive transfer and systematic generalization. Specifically, we propose a novel modular language model (TensorPoly), that balances parameter efficiency with nuanced routing methods. For modules, we reparameterize Low-Rank Adaptation (LoRA) by employing an entangled tensor through the use of tensor product operations and name the resulting approach TLoRA. For routing function, we tailor two innovative routing functions according to the granularity: TensorPoly-I which directs to each rank within the entangled tensor while TensorPoly-II offers a finer-grained routing approach targeting each order of the entangled tensor. The experimental results from the multi-task T0-benchmark demonstrate that: 1) all modular LMs surpass the corresponding dense approaches, highlighting the potential of modular language models to mitigate negative inference in multi-task learning and deliver superior outcomes. 2) TensorPoly-I achieves higher parameter efficiency in adaptation and outperforms other modular LMs, which shows the potential of our approach in multi-task transfer learning.

We present a new approach for the approximate K-nearest neighbor search based on navigable small world graphs with controllable hierarchy (Hierarchical NSW, HNSW). The proposed solution is fully graph-based, without any need for additional search structures, which are typically used at the coarse search stage of the most proximity graph techniques. Hierarchical NSW incrementally builds a multi-layer structure consisting from hierarchical set of proximity graphs (layers) for nested subsets of the stored elements. The maximum layer in which an element is present is selected randomly with an exponentially decaying probability distribution. This allows producing graphs similar to the previously studied Navigable Small World (NSW) structures while additionally having the links separated by their characteristic distance scales. Starting search from the upper layer together with utilizing the scale separation boosts the performance compared to NSW and allows a logarithmic complexity scaling. Additional employment of a heuristic for selecting proximity graph neighbors significantly increases performance at high recall and in case of highly clustered data. Performance evaluation has demonstrated that the proposed general metric space search index is able to strongly outperform previous opensource state-of-the-art vector-only approaches. Similarity of the algorithm to the skip list structure allows straightforward balanced distributed implementation.

Spiking neural networks have significant potential utility in robotics due to their high energy efficiency on specialized hardware, but proof-of-concept implementations have not yet typically achieved competitive performance or capability with conventional approaches. In this paper, we tackle one of the key practical challenges of scalability by introducing a novel modular ensemble network approach, where compact, localized spiking networks each learn and are solely responsible for recognizing places in a local region of the environment only. This modular approach creates a highly scalable system. However, it comes with a high-performance cost where a lack of global regularization at deployment time leads to hyperactive neurons that erroneously respond to places outside their learned region. Our second contribution introduces a regularization approach that detects and removes these problematic hyperactive neurons during the initial environmental learning phase. We evaluate this new scalable modular system on benchmark localization datasets Nordland and Oxford RobotCar, with comparisons to standard techniques NetVLAD, DenseVLAD, and SAD, and a previous spiking neural network system. Our system substantially outperforms the previous SNN system on its small dataset, but also maintains performance on 27 times larger benchmark datasets where the operation of the previous system is computationally infeasible, and performs competitively with the conventional localization systems.

This paper presents a modular neural image signal processing (ISP) framework that processes raw inputs and renders high-quality display-referred images. Unlike prior neural ISP designs, our method introduces a high degree of modularity, providing full control over multiple intermediate stages of the rendering process.~This modular design not only achieves high rendering accuracy but also improves scalability, debuggability, generalization to unseen cameras, and flexibility to match different user-preference styles. To demonstrate the advantages of this design, we built a user-interactive photo-editing tool that leverages our neural ISP to support diverse editing operations and picture styles. The tool is carefully engineered to take advantage of the high-quality rendering of our neural ISP and to enable unlimited post-editable re-rendering. Our method is a fully learning-based framework with variants of different capacities, all of moderate size (ranging from ~0.5 M to ~3.9 M parameters for the entire pipeline), and consistently delivers competitive qualitative and quantitative results across multiple test sets. Watch the supplemental video at: https://youtu.be/ByhQjQSjxVM

Deep convolutional neural networks trained end-to-end are the state-of-the-art methods to regress dense disparity maps from stereo pairs. These models, however, suffer from a notable decrease in accuracy when exposed to scenarios significantly different from the training set, e.g., real vs synthetic images, etc.). We argue that it is extremely unlikely to gather enough samples to achieve effective training/tuning in any target domain, thus making this setup impractical for many applications. Instead, we propose to perform unsupervised and continuous online adaptation of a deep stereo network, which allows for preserving its accuracy in any environment. However, this strategy is extremely computationally demanding and thus prevents real-time inference. We address this issue introducing a new lightweight, yet effective, deep stereo architecture, Modularly ADaptive Network (MADNet) and developing a Modular ADaptation (MAD) algorithm, which independently trains sub-portions of the network. By deploying MADNet together with MAD we introduce the first real-time self-adaptive deep stereo system enabling competitive performance on heterogeneous datasets.

Meta-learning usually refers to a learning algorithm that learns from other learning algorithms. The problem of uncertainty in the predictions of neural networks shows that the world is only partially predictable and a learned neural network cannot generalize to its ever-changing surrounding environments. Therefore, the question is how a predictive model can represent multiple predictions simultaneously. We aim to provide a fundamental understanding of learning to learn in the contents of Decentralized Neural Networks (Decentralized NNs) and we believe this is one of the most important questions and prerequisites to building an autonomous intelligence machine. To this end, we shall demonstrate several pieces of evidence for tackling the problems above with Meta Learning in Decentralized NNs. In particular, we will present three different approaches to building such a decentralized learning system: (1) learning from many replica neural networks, (2) building the hierarchy of neural networks for different functions, and (3) leveraging different modality experts to learn cross-modal representations.

Progress in machine learning (ML) has been fueled by scaling neural network models. This scaling has been enabled by ever more heroic feats of engineering, necessary for accommodating ML approaches that require high bandwidth communication between devices working in parallel. In this work, we propose a co-designed modular architecture and training approach for ML models, dubbed DIstributed PAth COmposition (DiPaCo). During training, DiPaCo distributes computation by paths through a set of shared modules. Together with a Local-SGD inspired optimization (DiLoCo) that keeps modules in sync with drastically reduced communication, Our approach facilitates training across poorly connected and heterogeneous workers, with a design that ensures robustness to worker failures and preemptions. At inference time, only a single path needs to be executed for each input, without the need for any model compression. We consider this approach as a first prototype towards a new paradigm of large-scale learning, one that is less synchronous and more modular. Our experiments on the widely used C4 benchmark show that, for the same amount of training steps but less wall-clock time, DiPaCo exceeds the performance of a 1 billion-parameter dense transformer language model by choosing one of 256 possible paths, each with a size of 150 million parameters.

Higher-order interactions (HOIs) are ubiquitous in real-world complex systems and applications. Investigation of deep learning for HOIs, thus, has become a valuable agenda for the data mining and machine learning communities. As networks of HOIs are expressed mathematically as hypergraphs, hypergraph neural networks (HNNs) have emerged as a powerful tool for representation learning on hypergraphs. Given the emerging trend, we present the first survey dedicated to HNNs, with an in-depth and step-by-step guide. Broadly, the present survey overviews HNN architectures, training strategies, and applications. First, we break existing HNNs down into four design components: (i) input features, (ii) input structures, (iii) message-passing schemes, and (iv) training strategies. Second, we examine how HNNs address and learn HOIs with each of their components. Third, we overview the recent applications of HNNs in recommendation, bioinformatics and medical science, time series analysis, and computer vision. Lastly, we conclude with a discussion on limitations and future directions.

Given a massive graph, how can we exploit its hierarchical structure for concisely but exactly summarizing the graph? By exploiting the structure, can we achieve better compression rates than state-of-the-art graph summarization methods? The explosive proliferation of the Web has accelerated the emergence of large graphs, such as online social networks and hyperlink networks. Consequently, graph compression has become increasingly important to process such large graphs without expensive I/O over the network or to disk. Among a number of approaches, graph summarization, which in essence combines similar nodes into a supernode and describe their connectivity concisely, protrudes with several advantages. However, we note that it fails to exploit pervasive hierarchical structures of real-world graphs as its underlying representation model enforces supernodes to be disjoint. In this work, we propose the hierarchical graph summarization model, which is an expressive graph representation model that includes the previous one proposed by Navlakha et al. as a special case. The new model represents an unweighted graph using positive and negative edges between hierarchical supernodes, each of which can contain others. Then, we propose Slugger, a scalable heuristic for concisely and exactly representing a given graph under our new model. Slugger greedily merges nodes into supernodes while maintaining and exploiting their hierarchy, which is later pruned. Slugger significantly accelerates this process by sampling, approximation, and memoization. Our experiments on 16 real-world graphs show that Slugger is (a) Effective: yielding up to 29.6% more concise summary than state-of-the-art lossless summarization methods, (b) Fast: summarizing a graph with 0.8 billion edges in a few hours, and (c) Scalable: scaling linearly with the number of edges in the input graph.

We consider the hierarchical representation of documents as graphs and use geometric deep learning to classify them into different categories. While graph neural networks can efficiently handle the variable structure of hierarchical documents using the permutation invariant message passing operations, we show that we can gain extra performance improvements using our proposed selective graph pooling operation that arises from the fact that some parts of the hierarchy are invariable across different documents. We applied our model to classify clinical trial (CT) protocols into completed and terminated categories. We use bag-of-words based, as well as pre-trained transformer-based embeddings to featurize the graph nodes, achieving f1-scores around 0.85 on a publicly available large scale CT registry of around 360K protocols. We further demonstrate how the selective pooling can add insights into the CT termination status prediction. We make the source code and dataset splits accessible.

We introduce the Structured Knowledge Accumulation (SKA) framework, which reinterprets entropy as a dynamic, layer-wise measure of knowledge alignment in neural networks. Instead of relying on traditional gradient-based optimization, SKA defines entropy in terms of knowledge vectors and their influence on decision probabilities across multiple layers. This formulation naturally leads to the emergence of activation functions such as the sigmoid as a consequence of entropy minimization. Unlike conventional backpropagation, SKA allows each layer to optimize independently by aligning its knowledge representation with changes in decision probabilities. As a result, total network entropy decreases in a hierarchical manner, allowing knowledge structures to evolve progressively. This approach provides a scalable, biologically plausible alternative to gradient-based learning, bridging information theory and artificial intelligence while offering promising applications in resource-constrained and parallel computing environments.

We introduce Graph-Induced Sum-Product Networks (GSPNs), a new probabilistic framework for graph representation learning that can tractably answer probabilistic queries. Inspired by the computational trees induced by vertices in the context of message-passing neural networks, we build hierarchies of sum-product networks (SPNs) where the parameters of a parent SPN are learnable transformations of the a-posterior mixing probabilities of its children's sum units. Due to weight sharing and the tree-shaped computation graphs of GSPNs, we obtain the efficiency and efficacy of deep graph networks with the additional advantages of a probabilistic model. We show the model's competitiveness on scarce supervision scenarios, under missing data, and for graph classification in comparison to popular neural models. We complement the experiments with qualitative analyses on hyper-parameters and the model's ability to answer probabilistic queries.

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

Large-scale commercial platforms usually involve numerous business domains for diverse business strategies and expect their recommendation systems to provide click-through rate (CTR) predictions for multiple domains simultaneously. Existing promising and widely-used multi-domain models discover domain relationships by explicitly constructing domain-specific networks, but the computation and memory boost significantly with the increase of domains. To reduce computational complexity, manually grouping domains with particular business strategies is common in industrial applications. However, this pre-defined data partitioning way heavily relies on prior knowledge, and it may neglect the underlying data distribution of each domain, hence limiting the model's representation capability. Regarding the above issues, we propose an elegant and flexible multi-distribution modeling paradigm, named Adaptive Distribution Hierarchical Model (AdaptDHM), which is an end-to-end optimization hierarchical structure consisting of a clustering process and classification process. Specifically, we design a distribution adaptation module with a customized dynamic routing mechanism. Instead of introducing prior knowledge for pre-defined data allocation, this routing algorithm adaptively provides a distribution coefficient for each sample to determine which cluster it belongs to. Each cluster corresponds to a particular distribution so that the model can sufficiently capture the commonalities and distinctions between these distinct clusters. Extensive experiments on both public and large-scale Alibaba industrial datasets verify the effectiveness and efficiency of AdaptDHM: Our model achieves impressive prediction accuracy and its time cost during the training stage is more than 50% less than that of other models.

Neural networks have achieved tremendous success in a large variety of applications. However, their memory footprint and computational demand can render them impractical in application settings with limited hardware or energy resources. In this work, we propose a novel algorithm to find efficient low-rank subnetworks. Remarkably, these subnetworks are determined and adapted already during the training phase and the overall time and memory resources required by both training and evaluating them are significantly reduced. The main idea is to restrict the weight matrices to a low-rank manifold and to update the low-rank factors rather than the full matrix during training. To derive training updates that are restricted to the prescribed manifold, we employ techniques from dynamic model order reduction for matrix differential equations. This allows us to provide approximation, stability, and descent guarantees. Moreover, our method automatically and dynamically adapts the ranks during training to achieve the desired approximation accuracy. The efficiency of the proposed method is demonstrated through a variety of numerical experiments on fully-connected and convolutional networks.

Predicting multiple real-world tasks in a single model often requires a particularly diverse feature space. Multimodal (MM) models aim to extract the synergistic predictive potential of multiple data types to create a shared feature space with aligned semantic meaning across inputs of drastically varying sizes (i.e. images, text, sound). Most current MM architectures fuse these representations in parallel, which not only limits their interpretability but also creates a dependency on modality availability. We present MultiModN, a multimodal, modular network that fuses latent representations in a sequence of any number, combination, or type of modality while providing granular real-time predictive feedback on any number or combination of predictive tasks. MultiModN's composable pipeline is interpretable-by-design, as well as innately multi-task and robust to the fundamental issue of biased missingness. We perform four experiments on several benchmark MM datasets across 10 real-world tasks (predicting medical diagnoses, academic performance, and weather), and show that MultiModN's sequential MM fusion does not compromise performance compared with a baseline of parallel fusion. By simulating the challenging bias of missing not-at-random (MNAR), this work shows that, contrary to MultiModN, parallel fusion baselines erroneously learn MNAR and suffer catastrophic failure when faced with different patterns of MNAR at inference. To the best of our knowledge, this is the first inherently MNAR-resistant approach to MM modeling. In conclusion, MultiModN provides granular insights, robustness, and flexibility without compromising performance.

We present a simple, highly modularized network architecture for image classification. Our network is constructed by repeating a building block that aggregates a set of transformations with the same topology. Our simple design results in a homogeneous, multi-branch architecture that has only a few hyper-parameters to set. This strategy exposes a new dimension, which we call "cardinality" (the size of the set of transformations), as an essential factor in addition to the dimensions of depth and width. On the ImageNet-1K dataset, we empirically show that even under the restricted condition of maintaining complexity, increasing cardinality is able to improve classification accuracy. Moreover, increasing cardinality is more effective than going deeper or wider when we increase the capacity. Our models, named ResNeXt, are the foundations of our entry to the ILSVRC 2016 classification task in which we secured 2nd place. We further investigate ResNeXt on an ImageNet-5K set and the COCO detection set, also showing better results than its ResNet counterpart. The code and models are publicly available online.

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

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

Graph Neural Networks (GNN) are inherently limited in their expressive power. Recent seminal works (Xu et al., 2019; Morris et al., 2019b) introduced the Weisfeiler-Lehman (WL) hierarchy as a measure of expressive power. Although this hierarchy has propelled significant advances in GNN analysis and architecture developments, it suffers from several significant limitations. These include a complex definition that lacks direct guidance for model improvement and a WL hierarchy that is too coarse to study current GNNs. This paper introduces an alternative expressive power hierarchy based on the ability of GNNs to calculate equivariant polynomials of a certain degree. As a first step, we provide a full characterization of all equivariant graph polynomials by introducing a concrete basis, significantly generalizing previous results. Each basis element corresponds to a specific multi-graph, and its computation over some graph data input corresponds to a tensor contraction problem. Second, we propose algorithmic tools for evaluating the expressiveness of GNNs using tensor contraction sequences, and calculate the expressive power of popular GNNs. Finally, we enhance the expressivity of common GNN architectures by adding polynomial features or additional operations / aggregations inspired by our theory. These enhanced GNNs demonstrate state-of-the-art results in experiments across multiple graph learning benchmarks.

Despite the recent successes of vanilla Graph Neural Networks (GNNs) on many tasks, their foundation on pairwise interaction networks inherently limits their capacity to discern latent higher-order interactions in complex systems. To bridge this capability gap, we propose a novel approach exploiting the rich mathematical theory of simplicial complexes (SCs) - a robust tool for modeling higher-order interactions. Current SC-based GNNs are burdened by high complexity and rigidity, and quantifying higher-order interaction strengths remains challenging. Innovatively, we present a higher-order Flower-Petals (FP) model, incorporating FP Laplacians into SCs. Further, we introduce a Higher-order Graph Convolutional Network (HiGCN) grounded in FP Laplacians, capable of discerning intrinsic features across varying topological scales. By employing learnable graph filters, a parameter group within each FP Laplacian domain, we can identify diverse patterns where the filters' weights serve as a quantifiable measure of higher-order interaction strengths. The theoretical underpinnings of HiGCN's advanced expressiveness are rigorously demonstrated. Additionally, our empirical investigations reveal that the proposed model accomplishes state-of-the-art (SOTA) performance on a range of graph tasks and provides a scalable and flexible solution to explore higher-order interactions in graphs.

We reformulate the problem of encoding a multi-scale representation of a sequence in a language model by casting it in a continuous learning framework. We propose a hierarchical multi-scale language model in which short time-scale dependencies are encoded in the hidden state of a lower-level recurrent neural network while longer time-scale dependencies are encoded in the dynamic of the lower-level network by having a meta-learner update the weights of the lower-level neural network in an online meta-learning fashion. We use elastic weights consolidation as a higher-level to prevent catastrophic forgetting in our continuous learning framework.

In this era of information explosion, a personalized recommendation system is convenient for users to get information they are interested in. To deal with billions of users and items, large-scale online recommendation services usually consist of three stages: candidate generation, coarse-grained ranking, and fine-grained ranking. The success of each stage depends on whether the model accurately captures the interests of users, which are usually hidden in users' behavior data. Previous research shows that users' interests are diverse, and one vector is not sufficient to capture users' different preferences. Therefore, many methods use multiple vectors to encode users' interests. However, there are two unsolved problems: (1) The similarity of different vectors in existing methods is too high, with too much redundant information. Consequently, the interests of users are not fully represented. (2) Existing methods model the long-term and short-term behaviors together, ignoring the differences between them. This paper proposes a Hierarchical Multi-Interest Co-Network (HCN) to capture users' diverse interests in the coarse-grained ranking stage. Specifically, we design a hierarchical multi-interest extraction layer to update users' diverse interest centers iteratively. The multiple embedded vectors obtained in this way contain more information and represent the interests of users better in various aspects. Furthermore, we develop a Co-Interest Network to integrate users' long-term and short-term interests. Experiments on several real-world datasets and one large-scale industrial dataset show that HCN effectively outperforms the state-of-the-art methods. We deploy HCN into a large-scale real world E-commerce system and achieve extra 2.5\% improvements on GMV (Gross Merchandise Value).

This paper explores the integration of two AI subdisciplines employed in the development of artificial agents that exhibit intelligent behavior: Large Language Models (LLMs) and Cognitive Architectures (CAs). We present three integration approaches, each grounded in theoretical models and supported by preliminary empirical evidence. The modular approach, which introduces four models with varying degrees of integration, makes use of chain-of-thought prompting, and draws inspiration from augmented LLMs, the Common Model of Cognition, and the simulation theory of cognition. The agency approach, motivated by the Society of Mind theory and the LIDA cognitive architecture, proposes the formation of agent collections that interact at micro and macro cognitive levels, driven by either LLMs or symbolic components. The neuro-symbolic approach, which takes inspiration from the CLARION cognitive architecture, proposes a model where bottom-up learning extracts symbolic representations from an LLM layer and top-down guidance utilizes symbolic representations to direct prompt engineering in the LLM layer. These approaches aim to harness the strengths of both LLMs and CAs, while mitigating their weaknesses, thereby advancing the development of more robust AI systems. We discuss the tradeoffs and challenges associated with each approach.

This paper introduces the sparse modular addition task and examines how transformers learn it. We focus on transformers with embeddings in R^2 and introduce a visual sandbox that provides comprehensive visualizations of each layer throughout the training process. We reveal a type of circuit, called "clustering heads," which learns the problem's invariants. We analyze the training dynamics of these circuits, highlighting two-stage learning, loss spikes due to high curvature or normalization layers, and the effects of initialization and curriculum learning.

Recent advancements in reinforcement learning have made significant impacts across various domains, yet they often struggle in complex multi-agent environments due to issues like algorithm instability, low sampling efficiency, and the challenges of exploration and dimensionality explosion. Hierarchical reinforcement learning (HRL) offers a structured approach to decompose complex tasks into simpler sub-tasks, which is promising for multi-agent settings. This paper advances the field by introducing a hierarchical architecture that autonomously generates effective subgoals without explicit constraints, enhancing both flexibility and stability in training. We propose a dynamic goal generation strategy that adapts based on environmental changes. This method significantly improves the adaptability and sample efficiency of the learning process. Furthermore, we address the critical issue of credit assignment in multi-agent systems by synergizing our hierarchical architecture with a modified QMIX network, thus improving overall strategy coordination and efficiency. Comparative experiments with mainstream reinforcement learning algorithms demonstrate the superior convergence speed and performance of our approach in both single-agent and multi-agent environments, confirming its effectiveness and flexibility in complex scenarios. Our code is open-sourced at: https://github.com/SICC-Group/GMAH.

Neural networks adapt very well to distributed and continuous representations, but struggle to generalize from small amounts of data. Symbolic systems commonly achieve data efficient generalization by exploiting modularity to benefit from local and discrete features of a representation. These features allow symbolic programs to be improved one module at a time and to experience combinatorial growth in the values they can successfully process. However, it is difficult to design a component that can be used to form symbolic abstractions and which is adequately overparametrized to learn arbitrary high-dimensional transformations. I present Graph-based Symbolically Synthesized Neural Networks (G-SSNNs), a class of neural modules that operate on representations modified with synthesized symbolic programs to include a fixed set of local and discrete features. I demonstrate that the choice of injected features within a G-SSNN module modulates the data efficiency and generalization of baseline neural models, creating predictable patterns of both heightened and curtailed generalization. By training G-SSNNs, we also derive information about desirable semantics of symbolic programs without manual engineering. This information is compact and amenable to abstraction, but can also be flexibly recontextualized for other high-dimensional settings. In future work, I will investigate data efficient generalization and the transferability of learned symbolic representations in more complex G-SSNN designs based on more complex classes of symbolic programs. Experimental code and data are available at https://github.com/shlomenu/symbolically_synthesized_networks .

Large language models (LLMs) demonstrate impressive performance on a wide variety of tasks, but they often struggle with tasks that require multi-step reasoning or goal-directed planning. To address this, we take inspiration from the human brain, in which planning is accomplished via the recurrent interaction of specialized modules in the prefrontal cortex (PFC). These modules perform functions such as conflict monitoring, state prediction, state evaluation, task decomposition, and task coordination. We find that LLMs are sometimes capable of carrying out these functions in isolation, but struggle to autonomously coordinate them in the service of a goal. Therefore, we propose a black box architecture with multiple LLM-based (GPT-4) modules. The architecture improves planning through the interaction of specialized PFC-inspired modules that break down a larger problem into multiple brief automated calls to the LLM. We evaluate the combined architecture on two challenging planning tasks -- graph traversal and Tower of Hanoi -- finding that it yields significant improvements over standard LLM methods (e.g., zero-shot prompting or in-context learning). These results demonstrate the benefit of utilizing knowledge from cognitive neuroscience to improve planning in LLMs.

Large language models (LLMs) have achieved remarkable success and demonstrated superior performance across various tasks, including natural language processing (NLP), weather forecasting, biological protein folding, text generation, and solving mathematical problems. However, many real-world data exhibit highly non-Euclidean latent hierarchical anatomy, such as protein networks, transportation networks, financial networks, brain networks, and linguistic structures or syntactic trees in natural languages. Effectively learning intrinsic semantic entailment and hierarchical relationships from these raw, unstructured input data using LLMs remains an underexplored area. Due to its effectiveness in modeling tree-like hierarchical structures, hyperbolic geometry -- a non-Euclidean space -- has rapidly gained popularity as an expressive latent representation space for complex data modeling across domains such as graphs, images, languages, and multi-modal data. Here, we provide a comprehensive and contextual exposition of recent advancements in LLMs that leverage hyperbolic geometry as a representation space to enhance semantic representation learning and multi-scale reasoning. Specifically, the paper presents a taxonomy of the principal techniques of Hyperbolic LLMs (HypLLMs) in terms of four main categories: (1) hyperbolic LLMs through exp/log maps; (2) hyperbolic fine-tuned models; (3) fully hyperbolic LLMs, and (4) hyperbolic state-space models. We also explore crucial potential applications and outline future research directions. A repository of key papers, models, datasets, and code implementations is available at https://github.com/sarangp2402/Hyperbolic-LLM-Models/tree/main.

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.

In recent years, artificial intelligence has significantly advanced medical image segmentation. Nonetheless, challenges remain, including efficient 3D medical image processing across diverse modalities and handling data variability. In this work, we introduce Hierarchical Soft Mixture-of-Experts (HoME), a two-level token-routing layer for efficient long-context modeling, specifically designed for 3D medical image segmentation. Built on the Mamba Selective State Space Model (SSM) backbone, HoME enhances sequential modeling through adaptive expert routing. In the first level, a Soft Mixture-of-Experts (SMoE) layer partitions input sequences into local groups, routing tokens to specialized per-group experts for localized feature extraction. The second level aggregates these outputs through a global SMoE layer, enabling cross-group information fusion and global context refinement. This hierarchical design, combining local expert routing with global expert refinement, enhances generalizability and segmentation performance, surpassing state-of-the-art results across datasets from the three most widely used 3D medical imaging modalities and varying data qualities. The code is publicly available at https://github.com/gmum/MambaHoME.

A modern challenge of Artificial Intelligence is learning multiple patterns at once (i.e.parallel learning). While this can not be accomplished by standard Hebbian associative neural networks, in this paper we show how the Multitasking Hebbian Network (a variation on theme of the Hopfield model working on sparse data-sets) is naturally able to perform this complex task. We focus on systems processing in parallel a finite (up to logarithmic growth in the size of the network) amount of patterns, mirroring the low-storage level of standard associative neural networks at work with pattern recognition. For mild dilution in the patterns, the network handles them hierarchically, distributing the amplitudes of their signals as power-laws w.r.t. their information content (hierarchical regime), while, for strong dilution, all the signals pertaining to all the patterns are raised with the same strength (parallel regime). Further, confined to the low-storage setting (i.e., far from the spin glass limit), the presence of a teacher neither alters the multitasking performances nor changes the thresholds for learning: the latter are the same whatever the training protocol is supervised or unsupervised. Results obtained through statistical mechanics, signal-to-noise technique and Monte Carlo simulations are overall in perfect agreement and carry interesting insights on multiple learning at once: for instance, whenever the cost-function of the model is minimized in parallel on several patterns (in its description via Statistical Mechanics), the same happens to the standard sum-squared error Loss function (typically used in Machine Learning).

Networks provide a powerful formalism for modeling complex systems by using a model of pairwise interactions. But much of the structure within these systems involves interactions that take place among more than two nodes at once; for example, communication within a group rather than person-to person, collaboration among a team rather than a pair of coauthors, or biological interaction between a set of molecules rather than just two. Such higher-order interactions are ubiquitous, but their empirical study has received limited attention, and little is known about possible organizational principles of such structures. Here we study the temporal evolution of 19 datasets with explicit accounting for higher-order interactions. We show that there is a rich variety of structure in our datasets but datasets from the same system types have consistent patterns of higher-order structure. Furthermore, we find that tie strength and edge density are competing positive indicators of higher-order organization, and these trends are consistent across interactions involving differing numbers of nodes. To systematically further the study of theories for such higher-order structures, we propose higher-order link prediction as a benchmark problem to assess models and algorithms that predict higher-order structure. We find a fundamental differences from traditional pairwise link prediction, with a greater role for local rather than long-range information in predicting the appearance of new interactions.

We present an agentic, autonomous graph expansion framework that iteratively structures and refines knowledge in situ. Unlike conventional knowledge graph construction methods relying on static extraction or single-pass learning, our approach couples a reasoning-native large language model with a continually updated graph representation. At each step, the system actively generates new concepts and relationships, merges them into a global graph, and formulates subsequent prompts based on its evolving structure. Through this feedback-driven loop, the model organizes information into a scale-free network characterized by hub formation, stable modularity, and bridging nodes that link disparate knowledge clusters. Over hundreds of iterations, new nodes and edges continue to appear without saturating, while centrality measures and shortest path distributions evolve to yield increasingly distributed connectivity. Our analysis reveals emergent patterns, such as the rise of highly connected 'hub' concepts and the shifting influence of 'bridge' nodes, indicating that agentic, self-reinforcing graph construction can yield open-ended, coherent knowledge structures. Applied to materials design problems, we present compositional reasoning experiments by extracting node-specific and synergy-level principles to foster genuinely novel knowledge synthesis, yielding cross-domain ideas that transcend rote summarization and strengthen the framework's potential for open-ended scientific discovery. We discuss other applications in scientific discovery and outline future directions for enhancing scalability and interpretability.

Recent innovations in Transformer-based ranking models have advanced the state-of-the-art in information retrieval. However, these Transformers are computationally expensive, and their opaque hidden states make it hard to understand the ranking process. In this work, we modularize the Transformer ranker into separate modules for text representation and interaction. We show how this design enables substantially faster ranking using offline pre-computed representations and light-weight online interactions. The modular design is also easier to interpret and sheds light on the ranking process in Transformer rankers.

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.

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.

Leveraging generative Artificial Intelligence (AI), we have transformed a dataset comprising 1,000 scientific papers into an ontological knowledge graph. Through an in-depth structural analysis, we have calculated node degrees, identified communities and connectivities, and evaluated clustering coefficients and betweenness centrality of pivotal nodes, uncovering fascinating knowledge architectures. The graph has an inherently scale-free nature, is highly connected, and can be used for graph reasoning by taking advantage of transitive and isomorphic properties that reveal unprecedented interdisciplinary relationships that can be used to answer queries, identify gaps in knowledge, propose never-before-seen material designs, and predict material behaviors. We compute deep node embeddings for combinatorial node similarity ranking for use in a path sampling strategy links dissimilar concepts that have previously not been related. One comparison revealed structural parallels between biological materials and Beethoven's 9th Symphony, highlighting shared patterns of complexity through isomorphic mapping. In another example, the algorithm proposed a hierarchical mycelium-based composite based on integrating path sampling with principles extracted from Kandinsky's 'Composition VII' painting. The resulting material integrates an innovative set of concepts that include a balance of chaos/order, adjustable porosity, mechanical strength, and complex patterned chemical functionalization. We uncover other isomorphisms across science, technology and art, revealing a nuanced ontology of immanence that reveal a context-dependent heterarchical interplay of constituents. Graph-based generative AI achieves a far higher degree of novelty, explorative capacity, and technical detail, than conventional approaches and establishes a widely useful framework for innovation by revealing hidden connections.

In this work we develop a new method, named Sub-graph Permutation Equivariant Networks (SPEN), which provides a framework for building graph neural networks that operate on sub-graphs, while using a base update function that is permutation equivariant, that are equivariant to a novel choice of automorphism group. Message passing neural networks have been shown to be limited in their expressive power and recent approaches to over come this either lack scalability or require structural information to be encoded into the feature space. The general framework presented here overcomes the scalability issues associated with global permutation equivariance by operating more locally on sub-graphs. In addition, through operating on sub-graphs the expressive power of higher-dimensional global permutation equivariant networks is improved; this is due to fact that two non-distinguishable graphs often contain distinguishable sub-graphs. Furthermore, the proposed framework only requires a choice of k-hops for creating ego-network sub-graphs and a choice of representation space to be used for each layer, which makes the method easily applicable across a range of graph based domains. We experimentally validate the method on a range of graph benchmark classification tasks, demonstrating statistically indistinguishable results from the state-of-the-art on six out of seven benchmarks. Further, we demonstrate that the use of local update functions offers a significant improvement in GPU memory over global methods.

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

Can evolving networks be inferred and modeled without directly observing their nodes and edges? In many applications, the edges of a dynamic network might not be observed, but one can observe the dynamics of stochastic cascading processes (e.g., information diffusion, virus propagation) occurring over the unobserved network. While there have been efforts to infer networks based on such data, providing a generative probabilistic model that is able to identify the underlying time-varying network remains an open question. Here we consider the problem of inferring generative dynamic network models based on network cascade diffusion data. We propose a novel framework for providing a non-parametric dynamic network model--based on a mixture of coupled hierarchical Dirichlet processes-- based on data capturing cascade node infection times. Our approach allows us to infer the evolving community structure in networks and to obtain an explicit predictive distribution over the edges of the underlying network--including those that were not involved in transmission of any cascade, or are likely to appear in the future. We show the effectiveness of our approach using extensive experiments on synthetic as well as real-world networks.

Recent advances in agent systems have demonstrated remarkable capabilities in solving both general-purpose and highly complex tasks. However, most current models lack mechanisms for coordinating specialized agents and have limited ability to generalize to new or diverse domains. To this end, we introduce AgentOrchestra, a hierarchical multi-agent framework for general-purpose task solving that integrates high-level planning with modular agent collaboration. Drawing inspiration from a conductor orchestrating a symphony, and grounded in the principles of extensibility, multimodality, modularity, and coordination, it features a central planning agent that decomposes complex objectives and delegates sub-tasks to a team of specialized agents. Each sub-agent is equipped with general programming tools, as well as abilities to tackle a wide range of real-world specific tasks, including data analysis, file operations, web navigation, and interactive reasoning in dynamic multimodal environments. Notably, AgentOrchestra introduces an MCP Manager Agent that enables intelligent evolution through dynamic tool creation, retrieval, and reuse mechanisms, significantly enhancing the system's adaptability and scalability. AgentOrchestra supports flexible orchestration through explicit sub-goal formulation, inter-agent communication, and adaptive role allocation. We evaluate the framework on three widely used benchmarks for assessing LLM-based agent systems. Experimental results show that AgentOrchestra consistently outperforms flat-agent and monolithic baselines in terms of task success rate and adaptability. On the GAIA benchmark testing dataset, AgentOrchestra achieves an average score of 83.39\%, ranking among the top general-purpose agents. These results highlight the effectiveness of hierarchical organization and role specialization in building scalable and general-purpose LLM-based agent systems.

The remarkable progress in Large Language Models (LLMs) opens up new avenues for addressing planning and decision-making problems in Multi-Agent Systems (MAS). However, as the number of agents increases, the issues of hallucination in LLMs and coordination in MAS have become increasingly prominent. Additionally, the efficient utilization of tokens emerges as a critical consideration when employing LLMs to facilitate the interactions among a substantial number of agents. In this paper, we develop a modular framework called LLaMAC to mitigate these challenges. LLaMAC implements a value distribution encoding similar to that found in the human brain, utilizing internal and external feedback mechanisms to facilitate collaboration and iterative reasoning among its modules. Through evaluations involving system resource allocation and robot grid transportation, we demonstrate the considerable advantages afforded by our proposed approach.

Neural Radiance Fields (NeRF) are a rapidly growing area of research with wide-ranging applications in computer vision, graphics, robotics, and more. In order to streamline the development and deployment of NeRF research, we propose a modular PyTorch framework, Nerfstudio. Our framework includes plug-and-play components for implementing NeRF-based methods, which make it easy for researchers and practitioners to incorporate NeRF into their projects. Additionally, the modular design enables support for extensive real-time visualization tools, streamlined pipelines for importing captured in-the-wild data, and tools for exporting to video, point cloud and mesh representations. The modularity of Nerfstudio enables the development of Nerfacto, our method that combines components from recent papers to achieve a balance between speed and quality, while also remaining flexible to future modifications. To promote community-driven development, all associated code and data are made publicly available with open-source licensing at https://nerf.studio.

Continual learning (CL) aims to continually accumulate knowledge from a non-stationary data stream without catastrophic forgetting of learned knowledge, requiring a balance between stability and adaptability. Relying on the generalizable representation in pre-trained models (PTMs), PTM-based CL methods perform effective continual adaptation on downstream tasks by adding learnable adapters or prompts upon the frozen PTMs. However, many existing PTM-based CL methods use restricted adaptation on a fixed set of these modules to avoid forgetting, suffering from limited CL ability. Periodically adding task-specific modules results in linear model growth rate and impaired knowledge reuse. We propose Self-Expansion of pre-trained models with Modularized Adaptation (SEMA), a novel approach to enhance the control of stability-plasticity balance in PTM-based CL. SEMA automatically decides to reuse or add adapter modules on demand in CL, depending on whether significant distribution shift that cannot be handled is detected at different representation levels. We design modular adapter consisting of a functional adapter and a representation descriptor. The representation descriptors are trained as a distribution shift indicator and used to trigger self-expansion signals. For better composing the adapters, an expandable weighting router is learned jointly for mixture of adapter outputs. SEMA enables better knowledge reuse and sub-linear expansion rate. Extensive experiments demonstrate the effectiveness of the proposed self-expansion method, achieving state-of-the-art performance compared to PTM-based CL methods without memory rehearsal. Code is available at https://github.com/huiyiwang01/SEMA-CL.

Ranking algorithms in traditional search engines are powered by enormous training data sets that are meticulously engineered and curated by a centralized entity. Decentralized peer-to-peer (p2p) networks such as torrenting applications and Web3 protocols deliberately eschew centralized databases and computational architectures when designing services and features. As such, robust search-and-rank algorithms designed for such domains must be engineered specifically for decentralized networks, and must be lightweight enough to operate on consumer-grade personal devices such as a smartphone or laptop computer. We introduce G-Rank, an unsupervised ranking algorithm designed exclusively for decentralized networks. We demonstrate that accurate, relevant ranking results can be achieved in fully decentralized networks without any centralized data aggregation, feature engineering, or model training. Furthermore, we show that such results are obtainable with minimal data preprocessing and computational overhead, and can still return highly relevant results even when a user's device is disconnected from the network. G-Rank is highly modular in design, is not limited to categorical data, and can be implemented in a variety of domains with minimal modification. The results herein show that unsupervised ranking models designed for decentralized p2p networks are not only viable, but worthy of further research.

We present a model that can perform multiple vision tasks and can be adapted to other downstream tasks efficiently. Despite considerable progress in multi-task learning, most efforts focus on learning from multi-label data: a single image set with multiple task labels. Such multi-label data sets are rare, small, and expensive. We say heterogeneous to refer to image sets with different task labels, or to combinations of single-task datasets. Few have explored training on such heterogeneous datasets. General-purpose vision models are still dominated by single-task pretraining, and it remains unclear how to scale up multi-task models by leveraging mainstream vision datasets designed for different purposes. The challenges lie in managing large intrinsic differences among vision tasks, including data distribution, architectures, task-specific modules, dataset scales, and sampling strategies. To address these challenges, we propose to modify and scale up mixture-of-experts (MoE) vision transformers, so that they can simultaneously learn classification, detection, and segmentation on diverse mainstream vision datasets including ImageNet, COCO, and ADE20K. Our approach achieves comparable results to single-task state-of-the-art models and demonstrates strong generalization on downstream tasks. Due to its emergent modularity, this general-purpose model decomposes into high-performing components, efficiently adapting to downstream tasks. We can fine-tune it with fewer training parameters, fewer model parameters, and less computation. Additionally, its modularity allows for easy expansion in continual-learning-without-forgetting scenarios. Finally, these functions can be controlled and combined to meet various demands of downstream tasks.

Graph foundation models represent a transformative paradigm for learning transferable representations across diverse graph domains. Recent methods leverage large language models to unify graph and text modalities into a shared representation space using contrastive learning. However, systematic evaluations reveal significant performance degradation at structural boundaries where distinct topological patterns converge, with accuracy losses exceeding 20 percentage points. This issue arises from a key limitation: current methods assume all graph structures can be encoded within a single Euclidean space. In reality, tree structures require hyperbolic geometry to preserve hierarchical branching, while cyclic patterns depend on spherical geometry for closure properties. At structural boundaries, nodes experience conflicting geometric constraints that uniform encoding spaces cannot resolve. This raises a crucial challenge: Can alignment frameworks be designed to respect the intrinsic geometric diversity of graph structures? We introduce GraphShaper, a geometry-aware framework that enhances graph encoding through multi-geometric specialization. Our approach employs expert networks tailored to different geometric spaces, dynamically computing fusion weights to adaptively integrate geometric properties based on local structural characteristics. This adaptive fusion preserves structural integrity before alignment with text embeddings. Extensive experiments demonstrate that GraphShaper achieves 9.47\% accuracy improvements on citation networks and 7.63\% on social networks in zero-shot settings.

Feature pyramids are a basic component in recognition systems for detecting objects at different scales. But recent deep learning object detectors have avoided pyramid representations, in part because they are compute and memory intensive. In this paper, we exploit the inherent multi-scale, pyramidal hierarchy of deep convolutional networks to construct feature pyramids with marginal extra cost. A top-down architecture with lateral connections is developed for building high-level semantic feature maps at all scales. This architecture, called a Feature Pyramid Network (FPN), shows significant improvement as a generic feature extractor in several applications. Using FPN in a basic Faster R-CNN system, our method achieves state-of-the-art single-model results on the COCO detection benchmark without bells and whistles, surpassing all existing single-model entries including those from the COCO 2016 challenge winners. In addition, our method can run at 5 FPS on a GPU and thus is a practical and accurate solution to multi-scale object detection. Code will be made publicly available.

We design and implement AXLearn, a production deep learning system that facilitates scalable and high-performance training of large deep learning models. Compared to other state-of-the-art deep learning systems, AXLearn has a unique focus on modularity and support for heterogeneous hardware infrastructure. AXLearn's internal interfaces between software components follow strict encapsulation, allowing different components to be assembled to facilitate rapid model development and experimentation on heterogeneous compute infrastructure. We introduce a novel method of quantifying modularity via Lines-of-Code (LoC)-complexity, which demonstrates how our system maintains constant complexity as we scale the components in the system, compared to linear or quadratic complexity in other systems. This allows integrating features such as Rotary Position Embeddings (RoPE) into AXLearn across hundred of modules with just 10 lines of code, compared to hundreds as required in other systems. At the same time, AXLearn maintains equivalent performance compared to state-of-the-art training systems. Finally, we share our experience in the development and operation of AXLearn.

We introduce and train distributed neural architectures (DNA) in vision and language domains. DNAs are initialized with a proto-architecture that consists of (transformer, MLP, attention, etc.) modules and routers. Any token (or patch) can traverse any series of modules in any order. DNAs are a natural generalization of the sparse methods such as Mixture-of-Experts, Mixture-of-Depths, parameter sharing, etc. Computation and communication patterns of DNA modules are learnt end-to-end during training and depend on the content and context of each token (or patch). These patterns can be shaped by further requirements added to the optimization objective such as compute/memory efficiency or load balancing. We empirically show that (i) trained DNAs are competitive with the dense baselines in both domains and (ii) compute efficiency/parameter sharing can be learnt from data. Next, we analyze the emergent connectivity and computation patterns in the trained DNAs. We find that the paths that tokens take through the models are themselves distributed according to a power-law. We show that some paths (or, equivalently, groups of modules) show emergent specialization. Finally, we demonstrate that models learn to allocate compute and active parameters in an interpretable way.

Artificial intelligence has made great strides in the last decade but still falls short of the human brain, the best-known example of intelligence. Not much is known of the neural processes that allow the brain to make the leap to achieve so much from so little beyond its ability to create knowledge structures that can be flexibly and dynamically combined, recombined, and applied in new and novel ways. This paper proposes a mathematical approach using graph theory and spectral graph theory, to hypothesize how to constrain these neural clusters of information based on eigen-relationships. This same hypothesis is hierarchically applied to scale up from the smallest to the largest clusters of knowledge that eventually lead to model building and reasoning.

Continual learning (CL) enables models to adapt to new tasks and environments without forgetting previously learned knowledge. While current CL setups have ignored the relationship between labels in the past task and the new task with or without small task overlaps, real-world scenarios often involve hierarchical relationships between old and new tasks, posing another challenge for traditional CL approaches. To address this challenge, we propose a novel multi-level hierarchical class incremental task configuration with an online learning constraint, called hierarchical label expansion (HLE). Our configuration allows a network to first learn coarse-grained classes, with data labels continually expanding to more fine-grained classes in various hierarchy depths. To tackle this new setup, we propose a rehearsal-based method that utilizes hierarchy-aware pseudo-labeling to incorporate hierarchical class information. Additionally, we propose a simple yet effective memory management and sampling strategy that selectively adopts samples of newly encountered classes. Our experiments demonstrate that our proposed method can effectively use hierarchy on our HLE setup to improve classification accuracy across all levels of hierarchies, regardless of depth and class imbalance ratio, outperforming prior state-of-the-art works by significant margins while also outperforming them on the conventional disjoint, blurry and i-Blurry CL setups.

We propose Scalable Mechanistic Neural Network (S-MNN), an enhanced neural network framework designed for scientific machine learning applications involving long temporal sequences. By reformulating the original Mechanistic Neural Network (MNN) (Pervez et al., 2024), we reduce the computational time and space complexities from cubic and quadratic with respect to the sequence length, respectively, to linear. This significant improvement enables efficient modeling of long-term dynamics without sacrificing accuracy or interpretability. Extensive experiments demonstrate that S-MNN matches the original MNN in precision while substantially reducing computational resources. Consequently, S-MNN can drop-in replace the original MNN in applications, providing a practical and efficient tool for integrating mechanistic bottlenecks into neural network models of complex dynamical systems.

Complex hierarchical structures composed of simple nanoscale building blocks form the basis of most biological materials. Here we demonstrate how analogies between seemingly different fields enable the understanding of general principles by which functional properties in hierarchical systems emerge, similar to an analogy learning process. Specifically, natural hierarchical materials like spider silk exhibit properties comparable to classical music in terms of their hierarchical structure and function. As a comparative tool here we apply hierarchical ontology logs (olog) that follow a rigorous mathematical formulation based on category theory to provide an insightful system representation by expressing knowledge in a conceptual map. We explain the process of analogy creation, draw connections at several levels of hierarchy and identify similar patterns that govern the structure of the hierarchical systems silk and music and discuss the impact of the derived analogy for nanotechnology.

We present a model inspired by the Global Workspace Theory that integrates specialized modules to perform a sequential reasoning task. A controller selectively routes information between modules through the workspace using a gating mechanism. This approach allows the model to chain operations by iteratively broadcasting information between specialized domains, mimicking System-2 reasoning. We evaluate the model's performance on a simple addition task, where two addends must be summed. The task can be solved by routing information sequentially through an Input module, an Increment module (multiple times), and finally an Output module. We consider two implementations of this system with increasing complexity. First, using hand-designed modules operating on one-hot digit representations, the controller (a LSTM recurrent network) learns to select the appropriate modules (input, increment, output) in the appropriate sequence. Second, we replace the hand-designed modules with learned representation modules for MNIST images and an increment module trained on the task objectives; here again, the controller learns the appropriate sequential module selection to solve the task. Finally, we show that the Global Workspace model, while having fewer parameters, outperforms LSTMs and Transformers when tested on unseen addition operations (both interpolations and extrapolations of addition operations seen during training). Our results highlight the potential of architectures inspired by the Global Workspace Theory to enhance deep learning's reasoning capabilities.

Sparsely activated neural networks with conditional computation learn to route their inputs through different "expert" subnetworks, providing a form of modularity that densely activated models lack. Despite their possible benefits, models with learned routing often underperform their parameter-matched densely activated counterparts as well as models that use non-learned heuristic routing strategies. In this paper, we hypothesize that these shortcomings stem from the gradient estimation techniques used to train sparsely activated models that use non-differentiable discrete routing decisions. To address this issue, we introduce Soft Merging of Experts with Adaptive Routing (SMEAR), which avoids discrete routing by using a single "merged" expert constructed via a weighted average of all of the experts' parameters. By routing activations through a single merged expert, SMEAR does not incur a significant increase in computational costs and enables standard gradient-based training. We empirically validate that models using SMEAR outperform models that route based on metadata or learn sparse routing through gradient estimation. Furthermore, we provide qualitative analysis demonstrating that the experts learned via SMEAR exhibit a significant amount of specialization. All of the code used in our experiments is publicly available.

At the heart of foundation models is the philosophy of "more is different", exemplified by the astonishing success in computer vision and natural language processing. However, the challenges of optimization and inherent complexity of transformer models call for a paradigm shift towards simplicity. In this study, we introduce VanillaNet, a neural network architecture that embraces elegance in design. By avoiding high depth, shortcuts, and intricate operations like self-attention, VanillaNet is refreshingly concise yet remarkably powerful. Each layer is carefully crafted to be compact and straightforward, with nonlinear activation functions pruned after training to restore the original architecture. VanillaNet overcomes the challenges of inherent complexity, making it ideal for resource-constrained environments. Its easy-to-understand and highly simplified architecture opens new possibilities for efficient deployment. Extensive experimentation demonstrates that VanillaNet delivers performance on par with renowned deep neural networks and vision transformers, showcasing the power of minimalism in deep learning. This visionary journey of VanillaNet has significant potential to redefine the landscape and challenge the status quo of foundation model, setting a new path for elegant and effective model design. Pre-trained models and codes are available at https://github.com/huawei-noah/VanillaNet and https://gitee.com/mindspore/models/tree/master/research/cv/vanillanet.

Fair graph clustering seeks partitions that respect network structure while maintaining proportional representation across sensitive groups, with applications spanning community detection, team formation, resource allocation, and social network analysis. Many existing approaches enforce rigid constraints or rely on multi-stage pipelines (e.g., spectral embedding followed by k-means), limiting trade-off control, interpretability, and scalability. We introduce DFNMF, an end-to-end deep nonnegative tri-factorization tailored to graphs that directly optimizes cluster assignments with a soft statistical-parity regularizer. A single parameter lambda tunes the fairness--utility balance, while nonnegativity yields parts-based factors and transparent soft memberships. The optimization uses sparse-friendly alternating updates and scales near-linearly with the number of edges. Across synthetic and real networks, DFNMF achieves substantially higher group balance at comparable modularity, often dominating state-of-the-art baselines on the Pareto front. The code is available at https://github.com/SiamakGhodsi/DFNMF.git.

In this work, we present a network-specific approach for predicting brain responses to complex multimodal movies, leveraging the Yeo 7-network parcellation of the Schaefer atlas. Rather than treating the brain as a homogeneous system, we grouped the seven functional networks into four clusters and trained separate multi-subject, multi-layer perceptron (MLP) models for each. This architecture supports cluster-specific optimization and adaptive memory modeling, allowing each model to adjust temporal dynamics and modality weighting based on the functional role of its target network. Our results demonstrate that this clustered strategy significantly enhances prediction accuracy across the 1,000 cortical regions of the Schaefer atlas. The final model achieved an eighth-place ranking in the Algonauts Project 2025 Challenge, with out-of-distribution (OOD) correlation scores nearly double those of the baseline model used in the selection phase. Code is available at https://github.com/Corsi01/algo2025.

This paper introduces a novel hierarchical autoencoder that maps 3D models into a highly compressed latent space. The hierarchical autoencoder is specifically designed to tackle the challenges arising from large-scale datasets and generative modeling using diffusion. Different from previous approaches that only work on a regular image or volume grid, our hierarchical autoencoder operates on unordered sets of vectors. Each level of the autoencoder controls different geometric levels of detail. We show that the model can be used to represent a wide range of 3D models while faithfully representing high-resolution geometry details. The training of the new architecture takes 0.70x time and 0.58x memory compared to the baseline. We also explore how the new representation can be used for generative modeling. Specifically, we propose a cascaded diffusion framework where each stage is conditioned on the previous stage. Our design extends existing cascaded designs for image and volume grids to vector sets.

Graph convolutional networks (GCNs) are the most commonly used methods for skeleton-based action recognition and have achieved remarkable performance. Generating adjacency matrices with semantically meaningful edges is particularly important for this task, but extracting such edges is challenging problem. To solve this, we propose a hierarchically decomposed graph convolutional network (HD-GCN) architecture with a novel hierarchically decomposed graph (HD-Graph). The proposed HD-GCN effectively decomposes every joint node into several sets to extract major structurally adjacent and distant edges, and uses them to construct an HD-Graph containing those edges in the same semantic spaces of a human skeleton. In addition, we introduce an attention-guided hierarchy aggregation (A-HA) module to highlight the dominant hierarchical edge sets of the HD-Graph. Furthermore, we apply a new six-way ensemble method, which uses only joint and bone stream without any motion stream. The proposed model is evaluated and achieves state-of-the-art performance on four large, popular datasets. Finally, we demonstrate the effectiveness of our model with various comparative experiments.

The rapid advancement of large language models (LLMs) has revolutionized natural language processing (NLP). While these models excel at understanding and generating human-like text, their widespread deployment can be prohibitively expensive. SortedNet is a recent training technique for enabling dynamic inference for deep neural networks. It leverages network modularity to create sub-models with varying computational loads, sorting them based on computation/accuracy characteristics in a nested manner. We extend SortedNet to generative NLP tasks, making large language models dynamic without any pretraining and by only replacing standard Supervised Fine-Tuning (SFT) with Sorted Fine-Tuning (SoFT) at the same costs. Our approach boosts model efficiency, eliminating the need for multiple models for various scenarios during inference. We show that using this approach, we are able to unlock the potential of intermediate layers of transformers in generating the target output. Our sub-models remain integral components of the original model, minimizing storage requirements and transition costs between different computational/latency budgets. By applying this approach on LLaMa 2 13B for tuning on the Stanford Alpaca dataset and comparing it to normal tuning and early exit via PandaLM benchmark, we show that Sorted Fine-Tuning can deliver models twice as fast as the original model while maintaining or exceeding performance.

Mixture-of-experts (MoE) is gaining increasing attention due to its unique properties and remarkable performance, especially for language tasks. By sparsely activating a subset of parameters for each token, MoE architecture could increase the model size without sacrificing computational efficiency, achieving a better trade-off between performance and training costs. However, the underlying mechanism of MoE still lacks further exploration, and its modularization degree remains questionable. In this paper, we make an initial attempt to understand the inner workings of MoE-based large language models. Concretely, we comprehensively study the parametric and behavioral features of three recent MoE-based models and reveal some intriguing observations, including (1) Neurons act like fine-grained experts. (2) The router of MoE usually selects experts with larger output norms. (3) The expert diversity increases as the layer increases, while the last layer is an outlier. Based on the observations, we also provide suggestions for a broad spectrum of MoE practitioners, such as router design and expert allocation. We hope this work could shed light on future research on the MoE framework and other modular architectures. Code is available at https://github.com/kamanphoebe/Look-into-MoEs.

This work explores hypernetworks: an approach of using a one network, also known as a hypernetwork, to generate the weights for another network. Hypernetworks provide an abstraction that is similar to what is found in nature: the relationship between a genotype - the hypernetwork - and a phenotype - the main network. Though they are also reminiscent of HyperNEAT in evolution, our hypernetworks are trained end-to-end with backpropagation and thus are usually faster. The focus of this work is to make hypernetworks useful for deep convolutional networks and long recurrent networks, where hypernetworks can be viewed as relaxed form of weight-sharing across layers. Our main result is that hypernetworks can generate non-shared weights for LSTM and achieve near state-of-the-art results on a variety of sequence modelling tasks including character-level language modelling, handwriting generation and neural machine translation, challenging the weight-sharing paradigm for recurrent networks. Our results also show that hypernetworks applied to convolutional networks still achieve respectable results for image recognition tasks compared to state-of-the-art baseline models while requiring fewer learnable parameters.

Large Language Models (LLMs) have reshaped our world with significant advancements in science, engineering, and society through applications ranging from scientific discoveries and medical diagnostics to Chatbots. Despite their ubiquity and utility, the underlying mechanisms of LLM remain concealed within billions of parameters and complex structures, making their inner architecture and cognitive processes challenging to comprehend. We address this gap by adopting approaches to understanding emerging cognition in biology and developing a network-based framework that links cognitive skills, LLM architectures, and datasets, ushering in a paradigm shift in foundation model analysis. The skill distribution in the module communities demonstrates that while LLMs do not strictly parallel the focalized specialization observed in specific biological systems, they exhibit unique communities of modules whose emergent skill patterns partially mirror the distributed yet interconnected cognitive organization seen in avian and small mammalian brains. Our numerical results highlight a key divergence from biological systems to LLMs, where skill acquisition benefits substantially from dynamic, cross-regional interactions and neural plasticity. By integrating cognitive science principles with machine learning, our framework provides new insights into LLM interpretability and suggests that effective fine-tuning strategies should leverage distributed learning dynamics rather than rigid modular interventions.

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

Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this theoretical framework to include continuous features - which occur regularly in real-world input domains and within the hidden layers of GNNs - and we demonstrate the requirement for multiple aggregation functions in this context. Accordingly, we propose Principal Neighbourhood Aggregation (PNA), a novel architecture combining multiple aggregators with degree-scalers (which generalize the sum aggregator). Finally, we compare the capacity of different models to capture and exploit the graph structure via a novel benchmark containing multiple tasks taken from classical graph theory, alongside existing benchmarks from real-world domains, all of which demonstrate the strength of our model. With this work, we hope to steer some of the GNN research towards new aggregation methods which we believe are essential in the search for powerful and robust models.

Metal-organic frameworks (MOFs) are of immense interest in applications such as gas storage and carbon capture due to their exceptional porosity and tunable chemistry. Their modular nature has enabled the use of template-based methods to generate hypothetical MOFs by combining molecular building blocks in accordance with known network topologies. However, the ability of these methods to identify top-performing MOFs is often hindered by the limited diversity of the resulting chemical space. In this work, we propose MOFDiff: a coarse-grained (CG) diffusion model that generates CG MOF structures through a denoising diffusion process over the coordinates and identities of the building blocks. The all-atom MOF structure is then determined through a novel assembly algorithm. Equivariant graph neural networks are used for the diffusion model to respect the permutational and roto-translational symmetries. We comprehensively evaluate our model's capability to generate valid and novel MOF structures and its effectiveness in designing outstanding MOF materials for carbon capture applications with molecular simulations.

Dialogue Act recognition associate dialogue acts (i.e., semantic labels) to utterances in a conversation. The problem of associating semantic labels to utterances can be treated as a sequence labeling problem. In this work, we build a hierarchical recurrent neural network using bidirectional LSTM as a base unit and the conditional random field (CRF) as the top layer to classify each utterance into its corresponding dialogue act. The hierarchical network learns representations at multiple levels, i.e., word level, utterance level, and conversation level. The conversation level representations are input to the CRF layer, which takes into account not only all previous utterances but also their dialogue acts, thus modeling the dependency among both, labels and utterances, an important consideration of natural dialogue. We validate our approach on two different benchmark data sets, Switchboard and Meeting Recorder Dialogue Act, and show performance improvement over the state-of-the-art methods by 2.2% and 4.1% absolute points, respectively. It is worth noting that the inter-annotator agreement on Switchboard data set is 84%, and our method is able to achieve the accuracy of about 79% despite being trained on the noisy data.

Recommending novel content, which expands user horizons by introducing them to new interests, has been shown to improve users' long-term experience on recommendation platforms chen2021values. Users however are not constantly looking to explore novel content. It is therefore crucial to understand their novelty-seeking intent and adjust the recommendation policy accordingly. Most existing literature models a user's propensity to choose novel content or to prefer a more diverse set of recommendations at individual interactions. Hierarchical structure, on the other hand, exists in a user's novelty-seeking intent, which is manifested as a static and intrinsic user preference for seeking novelty along with a dynamic session-based propensity. To this end, we propose a novel hierarchical reinforcement learning-based method to model the hierarchical user novelty-seeking intent, and to adapt the recommendation policy accordingly based on the extracted user novelty-seeking propensity. We further incorporate diversity and novelty-related measurement in the reward function of the hierarchical RL (HRL) agent to encourage user exploration chen2021values. We demonstrate the benefits of explicitly modeling hierarchical user novelty-seeking intent in recommendations through extensive experiments on simulated and real-world datasets. In particular, we demonstrate that the effectiveness of our proposed hierarchical RL-based method lies in its ability to capture such hierarchically-structured intent. As a result, the proposed HRL model achieves superior performance on several public datasets, compared with state-of-art baselines.

We study the problem of learning hierarchical polynomials over the standard Gaussian distribution with three-layer neural networks. We specifically consider target functions of the form h = g circ p where p : R^d rightarrow R is a degree k polynomial and g: R rightarrow R is a degree q polynomial. This function class generalizes the single-index model, which corresponds to k=1, and is a natural class of functions possessing an underlying hierarchical structure. Our main result shows that for a large subclass of degree k polynomials p, a three-layer neural network trained via layerwise gradient descent on the square loss learns the target h up to vanishing test error in mathcal{O}(d^k) samples and polynomial time. This is a strict improvement over kernel methods, which require widetilde Theta(d^{kq}) samples, as well as existing guarantees for two-layer networks, which require the target function to be low-rank. Our result also generalizes prior works on three-layer neural networks, which were restricted to the case of p being a quadratic. When p is indeed a quadratic, we achieve the information-theoretically optimal sample complexity mathcal{O}(d^2), which is an improvement over prior work~nichani2023provable requiring a sample size of widetildeTheta(d^4). Our proof proceeds by showing that during the initial stage of training the network performs feature learning to recover the feature p with mathcal{O}(d^k) samples. This work demonstrates the ability of three-layer neural networks to learn complex features and as a result, learn a broad class of hierarchical functions.

Bayesian models of cognition have gained considerable traction in computational neuroscience and psychiatry. Their scopes are now expected to expand rapidly to artificial intelligence, providing general inference frameworks to support embodied, adaptable, and energy-efficient autonomous agents. A central theory in this domain is predictive coding, which posits that learning and behaviour are driven by hierarchical probabilistic inferences about the causes of sensory inputs. Biological realism constrains these networks to rely on simple local computations in the form of precision-weighted predictions and prediction errors. This can make this framework highly efficient, but its implementation comes with unique challenges on the software development side. Embedding such models in standard neural network libraries often becomes limiting, as these libraries' compilation and differentiation backends can force a conceptual separation between optimization algorithms and the systems being optimized. This critically departs from other biological principles such as self-monitoring, self-organisation, cellular growth and functional plasticity. In this paper, we introduce pyhgf: a Python package backed by JAX and Rust for creating, manipulating and sampling dynamic networks for predictive coding. We improve over other frameworks by enclosing the network components as transparent, modular and malleable variables in the message-passing steps. The resulting graphs can implement arbitrary computational complexities as beliefs propagation. But the transparency of core variables can also translate into inference processes that leverage self-organisation principles, and express structure learning, meta-learning or causal discovery as the consequence of network structural adaptation to surprising inputs. The code, tutorials and documentation are hosted at: https://github.com/ilabcode/pyhgf.

Humans learn continually throughout their lifespan by accumulating diverse knowledge and fine-tuning it for future tasks. When presented with a similar goal, neural networks suffer from catastrophic forgetting if data distributions across sequential tasks are not stationary over the course of learning. An effective approach to address such continual learning (CL) problems is to use hypernetworks which generate task dependent weights for a target network. However, the continual learning performance of existing hypernetwork based approaches are affected by the assumption of independence of the weights across the layers in order to maintain parameter efficiency. To address this limitation, we propose a novel approach that uses a dependency preserving hypernetwork to generate weights for the target network while also maintaining the parameter efficiency. We propose to use recurrent neural network (RNN) based hypernetwork that can generate layer weights efficiently while allowing for dependencies across them. In addition, we propose novel regularisation and network growth techniques for the RNN based hypernetwork to further improve the continual learning performance. To demonstrate the effectiveness of the proposed methods, we conducted experiments on several image classification continual learning tasks and settings. We found that the proposed methods based on the RNN hypernetworks outperformed the baselines in all these CL settings and tasks.

3D indoor scenes are widely used in computer graphics, with applications ranging from interior design to gaming to virtual and augmented reality. They also contain rich information, including room layout, as well as furniture type, geometry, and placement. High-quality 3D indoor scenes are highly demanded while it requires expertise and is time-consuming to design high-quality 3D indoor scenes manually. Existing research only addresses partial problems: some works learn to generate room layout, and other works focus on generating detailed structure and geometry of individual furniture objects. However, these partial steps are related and should be addressed together for optimal synthesis. We propose SCENEHGN, a hierarchical graph network for 3D indoor scenes that takes into account the full hierarchy from the room level to the object level, then finally to the object part level. Therefore for the first time, our method is able to directly generate plausible 3D room content, including furniture objects with fine-grained geometry, and their layout. To address the challenge, we introduce functional regions as intermediate proxies between the room and object levels to make learning more manageable. To ensure plausibility, our graph-based representation incorporates both vertical edges connecting child nodes with parent nodes from different levels, and horizontal edges encoding relationships between nodes at the same level. Extensive experiments demonstrate that our method produces superior generation results, even when comparing results of partial steps with alternative methods that can only achieve these. We also demonstrate that our method is effective for various applications such as part-level room editing, room interpolation, and room generation by arbitrary room boundaries.

Transformers have achieved remarkable success across diverse domains, but their monolithic architecture presents challenges in interpretability, adaptability, and scalability. This paper introduces a novel modular Transformer architecture that explicitly decouples knowledge and reasoning through a generalized cross-attention mechanism to a globally shared knowledge base with layer-specific transformations, specifically designed for effective knowledge retrieval. Critically, we provide a rigorous mathematical derivation demonstrating that the Feed-Forward Network (FFN) in a standard Transformer is a specialized case (a closure) of this generalized cross-attention, revealing its role in implicit knowledge retrieval and validating our design. This theoretical framework provides a new lens for understanding FFNs and lays the foundation for future research exploring enhanced interpretability, adaptability, and scalability, enabling richer interplay with external knowledge bases and other systems.

In bipartite networks, community structures are restricted to being disassortative, in that nodes of one type are grouped according to common patterns of connection with nodes of the other type. This makes the stochastic block model (SBM), a highly flexible generative model for networks with block structure, an intuitive choice for bipartite community detection. However, typical formulations of the SBM do not make use of the special structure of bipartite networks. Here we introduce a Bayesian nonparametric formulation of the SBM and a corresponding algorithm to efficiently find communities in bipartite networks which parsimoniously chooses the number of communities. The biSBM improves community detection results over general SBMs when data are noisy, improves the model resolution limit by a factor of 2, and expands our understanding of the complicated optimization landscape associated with community detection tasks. A direct comparison of certain terms of the prior distributions in the biSBM and a related high-resolution hierarchical SBM also reveals a counterintuitive regime of community detection problems, populated by smaller and sparser networks, where nonhierarchical models outperform their more flexible counterpart.

Natural data is redundant yet predominant architectures tile computation uniformly across their input and output space. We propose the Recurrent Interface Networks (RINs), an attention-based architecture that decouples its core computation from the dimensionality of the data, enabling adaptive computation for more scalable generation of high-dimensional data. RINs focus the bulk of computation (i.e. global self-attention) on a set of latent tokens, using cross-attention to read and write (i.e. route) information between latent and data tokens. Stacking RIN blocks allows bottom-up (data to latent) and top-down (latent to data) feedback, leading to deeper and more expressive routing. While this routing introduces challenges, this is less problematic in recurrent computation settings where the task (and routing problem) changes gradually, such as iterative generation with diffusion models. We show how to leverage recurrence by conditioning the latent tokens at each forward pass of the reverse diffusion process with those from prior computation, i.e. latent self-conditioning. RINs yield state-of-the-art pixel diffusion models for image and video generation, scaling to 1024X1024 images without cascades or guidance, while being domain-agnostic and up to 10X more efficient than 2D and 3D U-Nets.

Hierarchically gated linear RNN (HGRN,Qin et al. 2023) has demonstrated competitive training speed and performance in language modeling, while offering efficient inference. However, the recurrent state size of HGRN remains relatively small, which limits its expressiveness.To address this issue, inspired by linear attention, we introduce a simple outer-product-based state expansion mechanism so that the recurrent state size can be significantly enlarged without introducing any additional parameters. The linear attention form also allows for hardware-efficient training.Our extensive experiments verify the advantage of HGRN2 over HGRN1 in language modeling, image classification, and Long Range Arena.Our largest 3B HGRN2 model slightly outperforms Mamba and LLaMa Architecture Transformer for language modeling in a controlled experiment setting; and performs competitively with many open-source 3B models in downstream evaluation while using much fewer total training tokens.