Daily Papers

In English semantic similarity tasks, classic word embedding-based approaches explicitly model pairwise "interactions" between the word representations of a sentence pair. Transformer-based pretrained language models disregard this notion, instead modeling pairwise word interactions globally and implicitly through their self-attention mechanism. In this paper, we hypothesize that introducing an explicit, constrained pairwise word interaction mechanism to pretrained language models improves their effectiveness on semantic similarity tasks. We validate our hypothesis using BERT on four tasks in semantic textual similarity and answer sentence selection. We demonstrate consistent improvements in quality by adding an explicit pairwise word interaction module to BERT.

Attention based models such as Transformers involve pairwise interactions between data points, modeled with a learnable attention matrix. Importantly, this attention matrix is normalized with the SoftMax operator, which makes it row-wise stochastic. In this paper, we propose instead to use Sinkhorn's algorithm to make attention matrices doubly stochastic. We call the resulting model a Sinkformer. We show that the row-wise stochastic attention matrices in classical Transformers get close to doubly stochastic matrices as the number of epochs increases, justifying the use of Sinkhorn normalization as an informative prior. On the theoretical side, we show that, unlike the SoftMax operation, this normalization makes it possible to understand the iterations of self-attention modules as a discretized gradient-flow for the Wasserstein metric. We also show in the infinite number of samples limit that, when rescaling both attention matrices and depth, Sinkformers operate a heat diffusion. On the experimental side, we show that Sinkformers enhance model accuracy in vision and natural language processing tasks. In particular, on 3D shapes classification, Sinkformers lead to a significant improvement.

Anomaly detection plays an important role in modern data-driven security applications, such as detecting suspicious access to a socket from a process. In many cases, such events can be described as a collection of categorical values that are considered as entities of different types, which we call heterogeneous categorical events. Due to the lack of intrinsic distance measures among entities, and the exponentially large event space, most existing work relies heavily on heuristics to calculate abnormal scores for events. Different from previous work, we propose a principled and unified probabilistic model APE (Anomaly detection via Probabilistic pairwise interaction and Entity embedding) that directly models the likelihood of events. In this model, we embed entities into a common latent space using their observed co-occurrence in different events. More specifically, we first model the compatibility of each pair of entities according to their embeddings. Then we utilize the weighted pairwise interactions of different entity types to define the event probability. Using Noise-Contrastive Estimation with "context-dependent" noise distribution, our model can be learned efficiently regardless of the large event space. Experimental results on real enterprise surveillance data show that our methods can accurately detect abnormal events compared to other state-of-the-art abnormal detection techniques.

Convolutional networks and vision transformers have different forms of pairwise interactions, pooling across layers and pooling at the end of the network. Does the latter really need to be different? As a by-product of pooling, vision transformers provide spatial attention for free, but this is most often of low quality unless self-supervised, which is not well studied. Is supervision really the problem? In this work, we develop a generic pooling framework and then we formulate a number of existing methods as instantiations. By discussing the properties of each group of methods, we derive SimPool, a simple attention-based pooling mechanism as a replacement of the default one for both convolutional and transformer encoders. We find that, whether supervised or self-supervised, this improves performance on pre-training and downstream tasks and provides attention maps delineating object boundaries in all cases. One could thus call SimPool universal. To our knowledge, we are the first to obtain attention maps in supervised transformers of at least as good quality as self-supervised, without explicit losses or modifying the architecture. Code at: https://github.com/billpsomas/simpool.

Topological Neural Networks (TNNs) incorporate higher-order relational information beyond pairwise interactions, enabling richer representations than Graph Neural Networks (GNNs). Concurrently, topological descriptors based on persistent homology (PH) are being increasingly employed to augment the GNNs. We investigate the benefits of integrating these two paradigms. Specifically, we introduce TopNets as a broad framework that subsumes and unifies various methods in the intersection of GNNs/TNNs and PH such as (generalizations of) RePHINE and TOGL. TopNets can also be readily adapted to handle (symmetries in) geometric complexes, extending the scope of TNNs and PH to spatial settings. Theoretically, we show that PH descriptors can provably enhance the expressivity of simplicial message-passing networks. Empirically, (continuous and E(n)-equivariant extensions of) TopNets achieve strong performance across diverse tasks, including antibody design, molecular dynamics simulation, and drug property prediction.

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 propose a novel Generalized Zero-Shot learning (GZSL) method that is agnostic to both unseen images and unseen semantic vectors during training. Prior works in this context propose to map high-dimensional visual features to the semantic domain, we believe contributes to the semantic gap. To bridge the gap, we propose a novel low-dimensional embedding of visual instances that is "visually semantic." Analogous to semantic data that quantifies the existence of an attribute in the presented instance, components of our visual embedding quantifies existence of a prototypical part-type in the presented instance. In parallel, as a thought experiment, we quantify the impact of noisy semantic data by utilizing a novel visual oracle to visually supervise a learner. These factors, namely semantic noise, visual-semantic gap and label noise lead us to propose a new graphical model for inference with pairwise interactions between label, semantic data, and inputs. We tabulate results on a number of benchmark datasets demonstrating significant improvement in accuracy over state-of-the-art under both semantic and visual supervision.

Knowledge Graphs, such as Wikidata, comprise structural and textual knowledge in order to represent knowledge. For each of the two modalities dedicated approaches for graph embedding and language models learn patterns that allow for predicting novel structural knowledge. Few approaches have integrated learning and inference with both modalities and these existing ones could only partially exploit the interaction of structural and textual knowledge. In our approach, we build on existing strong representations of single modalities and we use hypercomplex algebra to represent both, (i), single-modality embedding as well as, (ii), the interaction between different modalities and their complementary means of knowledge representation. More specifically, we suggest Dihedron and Quaternion representations of 4D hypercomplex numbers to integrate four modalities namely structural knowledge graph embedding, word-level representations (e.g.\ Word2vec, Fasttext), sentence-level representations (Sentence transformer), and document-level representations (sentence transformer, Doc2vec). Our unified vector representation scores the plausibility of labelled edges via Hamilton and Dihedron products, thus modeling pairwise interactions between different modalities. Extensive experimental evaluation on standard benchmark datasets shows the superiority of our two new models using abundant textual information besides sparse structural knowledge to enhance performance in link prediction tasks.

Pedestrian detection in crowd scenes poses a challenging problem due to the heuristic defined mapping from anchors to pedestrians and the conflict between NMS and highly overlapped pedestrians. The recently proposed end-to-end detectors(ED), DETR and deformable DETR, replace hand designed components such as NMS and anchors using the transformer architecture, which gets rid of duplicate predictions by computing all pairwise interactions between queries. Inspired by these works, we explore their performance on crowd pedestrian detection. Surprisingly, compared to Faster-RCNN with FPN, the results are opposite to those obtained on COCO. Furthermore, the bipartite match of ED harms the training efficiency due to the large ground truth number in crowd scenes. In this work, we identify the underlying motives driving ED's poor performance and propose a new decoder to address them. Moreover, we design a mechanism to leverage the less occluded visible parts of pedestrian specifically for ED, and achieve further improvements. A faster bipartite match algorithm is also introduced to make ED training on crowd dataset more practical. The proposed detector PED(Pedestrian End-to-end Detector) outperforms both previous EDs and the baseline Faster-RCNN on CityPersons and CrowdHuman. It also achieves comparable performance with state-of-the-art pedestrian detection methods. Code will be released soon.

The analysis of scientific data and complex multivariate systems requires information quantities that capture relationships among multiple random variables. Recently, new information-theoretic measures have been developed to overcome the shortcomings of classical ones, such as mutual information, that are restricted to considering pairwise interactions. Among them, the concept of information synergy and redundancy is crucial for understanding the high-order dependencies between variables. One of the most prominent and versatile measures based on this concept is O-information, which provides a clear and scalable way to quantify the synergy-redundancy balance in multivariate systems. However, its practical application is limited to simplified cases. In this work, we introduce SOmegaI, which allows for the first time to compute O-information without restrictive assumptions about the system. Our experiments validate our approach on synthetic data, and demonstrate the effectiveness of SOmegaI in the context of a real-world use case.

Language is an intricately structured system, and a key goal of NLP interpretability is to provide methodological insights for understanding how language models represent this structure internally. In this paper, we use Shapley Taylor interaction indices (STII) in order to examine how language and speech models internally relate and structure their inputs. Pairwise Shapley interactions measure how much two inputs work together to influence model outputs beyond if we linearly added their independent influences, providing a view into how models encode structural interactions between inputs. We relate the interaction patterns in models to three underlying linguistic structures: syntactic structure, non-compositional semantics, and phonetic coarticulation. We find that autoregressive text models encode interactions that correlate with the syntactic proximity of inputs, and that both autoregressive and masked models encode nonlinear interactions in idiomatic phrases with non-compositional semantics. Our speech results show that inputs are more entangled for pairs where a neighboring consonant is likely to influence a vowel or approximant, showing that models encode the phonetic interaction needed for extracting discrete phonemic representations.

Jet tagging is a critical yet challenging classification task in particle physics. While deep learning has transformed jet tagging and significantly improved performance, the lack of a large-scale public dataset impedes further enhancement. In this work, we present JetClass, a new comprehensive dataset for jet tagging. The JetClass dataset consists of 100 M jets, about two orders of magnitude larger than existing public datasets. A total of 10 types of jets are simulated, including several types unexplored for tagging so far. Based on the large dataset, we propose a new Transformer-based architecture for jet tagging, called Particle Transformer (ParT). By incorporating pairwise particle interactions in the attention mechanism, ParT achieves higher tagging performance than a plain Transformer and surpasses the previous state-of-the-art, ParticleNet, by a large margin. The pre-trained ParT models, once fine-tuned, also substantially enhance the performance on two widely adopted jet tagging benchmarks. The dataset, code and models are publicly available at https://github.com/jet-universe/particle_transformer.

A longstanding goal of biology is to identify the key genes and species that critically impact evolution, ecology, and health. Network analysis has revealed keystone species that regulate ecosystems and master regulators that regulate cellular genetic networks. Yet these studies have focused on pairwise biological interactions, which can be affected by the context of genetic background and other species present generating higher-order interactions. The important regulators of higher-order interactions are unstudied. To address this, we applied a new high-dimensional geometry approach that quantifies epistasis in a fitness landscape to ask how individual genes and species influence the interactions in the rest of the biological network. We then generated and also reanalyzed 5-dimensional datasets (two genetic, two microbiome). We identified key genes (e.g. the rbs locus and pykF) and species (e.g. Lactobacilli) that control the interactions of many other genes and species. These higher-order master regulators can induce or suppress evolutionary and ecological diversification by controlling the topography of the fitness landscape. Thus, we provide mathematical intuition and justification for exploration of biological networks in higher dimensions.

Point defects play a central role in driving the properties of materials. First-principles methods are widely used to compute defect energetics and structures, including at scale for high-throughput defect databases. However, these methods are computationally expensive, making machine-learning force fields (MLFFs) an attractive alternative for accelerating structural relaxations. Most existing MLFFs are based on graph neural networks (GNNs), which can suffer from oversmoothing and poor representation of long-range interactions. Both of these issues are especially of concern when modeling point defects. To address these challenges, we introduce the Accelerated Deep Atomic Potential Transformer (ADAPT), an MLFF that replaces graph representations with a direct coordinates-in-space formulation and explicitly considers all pairwise atomic interactions. Atoms are treated as tokens, with a Transformer encoder modeling their interactions. Applied to a dataset of silicon point defects, ADAPT achieves a roughly 33 percent reduction in both force and energy prediction errors relative to a state-of-the-art GNN-based model, while requiring only a fraction of the computational cost.

Hyper-relational knowledge graphs (HKGs) extend standard knowledge graphs by associating attribute-value qualifiers to triples, which effectively represent additional fine-grained information about its associated triple. Hyper-relational knowledge graph completion (HKGC) aims at inferring unknown triples while considering its qualifiers. Most existing approaches to HKGC exploit a global-level graph structure to encode hyper-relational knowledge into the graph convolution message passing process. However, the addition of multi-hop information might bring noise into the triple prediction process. To address this problem, we propose HyperFormer, a model that considers local-level sequential information, which encodes the content of the entities, relations and qualifiers of a triple. More precisely, HyperFormer is composed of three different modules: an entity neighbor aggregator module allowing to integrate the information of the neighbors of an entity to capture different perspectives of it; a relation qualifier aggregator module to integrate hyper-relational knowledge into the corresponding relation to refine the representation of relational content; a convolution-based bidirectional interaction module based on a convolutional operation, capturing pairwise bidirectional interactions of entity-relation, entity-qualifier, and relation-qualifier. realize the depth perception of the content related to the current statement. Furthermore, we introduce a Mixture-of-Experts strategy into the feed-forward layers of HyperFormer to strengthen its representation capabilities while reducing the amount of model parameters and computation. Extensive experiments on three well-known datasets with four different conditions demonstrate HyperFormer's effectiveness. Datasets and code are available at https://github.com/zhiweihu1103/HKGC-HyperFormer.

Recent developments in transformer models for visual data have led to significant improvements in recognition and detection tasks. In particular, using learnable queries in place of region proposals has given rise to a new class of one-stage detection models, spearheaded by the Detection Transformer (DETR). Variations on this one-stage approach have since dominated human-object interaction (HOI) detection. However, the success of such one-stage HOI detectors can largely be attributed to the representation power of transformers. We discovered that when equipped with the same transformer, their two-stage counterparts can be more performant and memory-efficient, while taking a fraction of the time to train. In this work, we propose the Unary-Pairwise Transformer, a two-stage detector that exploits unary and pairwise representations for HOIs. We observe that the unary and pairwise parts of our transformer network specialise, with the former preferentially increasing the scores of positive examples and the latter decreasing the scores of negative examples. We evaluate our method on the HICO-DET and V-COCO datasets, and significantly outperform state-of-the-art approaches. At inference time, our model with ResNet50 approaches real-time performance on a single GPU.

The binding between proteins and ligands plays a crucial role in the realm of drug discovery. Previous deep learning approaches have shown promising results over traditional computationally intensive methods, but resulting in poor generalization due to limited supervised data. In this paper, we propose to learn protein-ligand binding representation in a self-supervised learning manner. Different from existing pre-training approaches which treat proteins and ligands individually, we emphasize to discern the intricate binding patterns from fine-grained interactions. Specifically, this self-supervised learning problem is formulated as a prediction of the conclusive binding complex structure given a pocket and ligand with a Transformer based interaction module, which naturally emulates the binding process. To ensure the representation of rich binding information, we introduce two pre-training tasks, i.e.~atomic pairwise distance map prediction and mask ligand reconstruction, which comprehensively model the fine-grained interactions from both structure and feature space. Extensive experiments have demonstrated the superiority of our method across various binding tasks, including protein-ligand affinity prediction, virtual screening and protein-ligand docking.

Existing cross-encoder models can be categorized as pointwise, pairwise, or listwise. Pairwise and listwise models allow passage interactions, which typically makes them more effective than pointwise models but less efficient and less robust to input passage order permutations. To enable efficient permutation-invariant passage interactions during re-ranking, we propose a new cross-encoder architecture with inter-passage attention: the Set-Encoder. In experiments on TREC Deep Learning and TIREx, the Set-Encoder is as effective as state-of-the-art listwise models while being more efficient and invariant to input passage order permutations. Compared to pointwise models, the Set-Encoder is particularly more effective when considering inter-passage information, such as novelty, and retains its advantageous properties compared to other listwise models. Our code is publicly available at https://github.com/webis-de/ECIR-25.

Molecular interactions often involve high-order relationships that cannot be fully captured by traditional graph-based models limited to pairwise connections. Hypergraphs naturally extend graphs by enabling multi-way interactions, making them well-suited for modeling complex molecular systems. In this work, we introduce EquiHGNN, an Equivariant HyperGraph Neural Network framework that integrates symmetry-aware representations to improve molecular modeling. By enforcing the equivariance under relevant transformation groups, our approach preserves geometric and topological properties, leading to more robust and physically meaningful representations. We examine a range of equivariant architectures and demonstrate that integrating symmetry constraints leads to notable performance gains on large-scale molecular datasets. Experiments on both small and large molecules show that high-order interactions offer limited benefits for small molecules but consistently outperform 2D graphs on larger ones. Adding geometric features to these high-order structures further improves the performance, emphasizing the value of spatial information in molecular learning. Our source code is available at https://github.com/HySonLab/EquiHGNN/

Understanding the glassy nature of neural networks is pivotal both for theoretical and computational advances in Machine Learning and Theoretical Artificial Intelligence. Keeping the focus on dense associative Hebbian neural networks, the purpose of this paper is two-fold: at first we develop rigorous mathematical approaches to address properly a statistical mechanical picture of the phenomenon of {\em replica symmetry breaking} (RSB) in these networks, then -- deepening results stemmed via these routes -- we aim to inspect the {\em glassiness} that they hide. In particular, regarding the methodology, we provide two techniques: the former is an adaptation of the transport PDE to the case, while the latter is an extension of Guerra's interpolation breakthrough. Beyond coherence among the results, either in replica symmetric and in the one-step replica symmetry breaking level of description, we prove the Gardner's picture and we identify the maximal storage capacity by a ground-state analysis in the Baldi-Venkatesh high-storage regime. In the second part of the paper we investigate the glassy structure of these networks: in contrast with the replica symmetric scenario (RS), RSB actually stabilizes the spin-glass phase. We report huge differences w.r.t. the standard pairwise Hopfield limit: in particular, it is known that it is possible to express the free energy of the Hopfield neural network as a linear combination of the free energies of an hard spin glass (i.e. the Sherrington-Kirkpatrick model) and a soft spin glass (the Gaussian or "spherical" model). This is no longer true when interactions are more than pairwise (whatever the level of description, RS or RSB): for dense networks solely the free energy of the hard spin glass survives, proving a huge diversity in the underlying glassiness of associative neural networks.

Hypergraphs offer a powerful framework for modeling higher-order interactions that traditional pairwise graphs cannot fully capture. However, practical constraints often lead to their simplification into projected graphs, resulting in substantial information loss and ambiguity in representing higher-order relationships. In this work, we propose MARIOH, a supervised approach for reconstructing the original hypergraph from its projected graph by leveraging edge multiplicity. To overcome the difficulties posed by the large search space, MARIOH integrates several key ideas: (a) identifying provable size-2 hyperedges, which reduces the candidate search space, (b) predicting the likelihood of candidates being hyperedges by utilizing both structural and multiplicity-related features, and (c) not only targeting promising hyperedge candidates but also examining less confident ones to explore alternative possibilities. Together, these ideas enable MARIOH to efficiently and effectively explore the search space. In our experiments using 10 real-world datasets, MARIOH achieves up to 74.51% higher reconstruction accuracy compared to state-of-the-art methods.

While implicit feedback is foundational to modern recommender systems, factors such as human error, uncertainty, and ambiguity in user behavior inevitably introduce significant noise into this feedback, adversely affecting the accuracy and robustness of recommendations. To address this issue, existing methods typically aim to reduce the training weight of noisy feedback or discard it entirely, based on the observation that noisy interactions often exhibit higher losses in the overall loss distribution. However, we identify two key issues: (1) there is a significant overlap between normal and noisy interactions in the overall loss distribution, and (2) this overlap becomes even more pronounced when transitioning from pointwise loss functions (e.g., BCE loss) to pairwise loss functions (e.g., BPR loss). This overlap leads traditional methods to misclassify noisy interactions as normal, and vice versa. To tackle these challenges, we further investigate the loss overlap and find that for a given user, there is a clear distinction between normal and noisy interactions in the user's personal loss distribution. Based on this insight, we propose a resampling strategy to Denoise using the user's Personal Loss distribution, named PLD, which reduces the probability of noisy interactions being optimized. Specifically, during each optimization iteration, we create a candidate item pool for each user and resample the items from this pool based on the user's personal loss distribution, prioritizing normal interactions. Additionally, we conduct a theoretical analysis to validate PLD's effectiveness and suggest ways to further enhance its performance. Extensive experiments conducted on three datasets with varying noise ratios demonstrate PLD's efficacy and robustness.

Speaker diarization, the process of segmenting an audio stream or transcribed speech content into homogenous partitions based on speaker identity, plays a crucial role in the interpretation and analysis of human speech. Most existing speaker diarization systems rely exclusively on unimodal acoustic information, making the task particularly challenging due to the innate ambiguities of audio signals. Recent studies have made tremendous efforts towards audio-visual or audio-semantic modeling to enhance performance. However, even the incorporation of up to two modalities often falls short in addressing the complexities of spontaneous and unstructured conversations. To exploit more meaningful dialogue patterns, we propose a novel multimodal approach that jointly utilizes audio, visual, and semantic cues to enhance speaker diarization. Our method elegantly formulates the multimodal modeling as a constrained optimization problem. First, we build insights into the visual connections among active speakers and the semantic interactions within spoken content, thereby establishing abundant pairwise constraints. Then we introduce a joint pairwise constraint propagation algorithm to cluster speakers based on these visual and semantic constraints. This integration effectively leverages the complementary strengths of different modalities, refining the affinity estimation between individual speaker embeddings. Extensive experiments conducted on multiple multimodal datasets demonstrate that our approach consistently outperforms state-of-the-art speaker diarization methods.

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.

Most of the dominant approaches to continual learning are based on either memory replay, parameter isolation, or regularization techniques that require task boundaries to calculate task statistics. We propose a static architecture-based method that doesn't use any of these. We show that we can improve the continual learning performance by replacing the final layer of our networks with our pairwise interaction layer. The pairwise interaction layer uses sparse representations from a Winner-take-all style activation function to find the relevant correlations in the hidden layer representations. The networks using this architecture show competitive performance in MNIST and FashionMNIST-based continual image classification experiments. We demonstrate this in an online streaming continual learning setup where the learning system cannot access task labels or boundaries.

As the intermediate level task connecting image captioning and object detection, visual relationship detection started to catch researchers' attention because of its descriptive power and clear structure. It detects the objects and captures their pair-wise interactions with a subject-predicate-object triplet, e.g. person-ride-horse. In this paper, each visual relationship is considered as a phrase with three components. We formulate the visual relationship detection as three inter-connected recognition problems and propose a Visual Phrase guided Convolutional Neural Network (ViP-CNN) to address them simultaneously. In ViP-CNN, we present a Phrase-guided Message Passing Structure (PMPS) to establish the connection among relationship components and help the model consider the three problems jointly. Corresponding non-maximum suppression method and model training strategy are also proposed. Experimental results show that our ViP-CNN outperforms the state-of-art method both in speed and accuracy. We further pretrain ViP-CNN on our cleansed Visual Genome Relationship dataset, which is found to perform better than the pretraining on the ImageNet for this task.

While Convolutional Neural Networks (CNNs) have long been investigated and applied, as well as theorized, we aim to provide a slightly different perspective into their nature -- through the perspective of their Hessian maps. The reason is that the loss Hessian captures the pairwise interaction of parameters and therefore forms a natural ground to probe how the architectural aspects of CNN get manifested in its structure and properties. We develop a framework relying on Toeplitz representation of CNNs, and then utilize it to reveal the Hessian structure and, in particular, its rank. We prove tight upper bounds (with linear activations), which closely follow the empirical trend of the Hessian rank and hold in practice in more general settings. Overall, our work generalizes and establishes the key insight that, even in CNNs, the Hessian rank grows as the square root of the number of parameters.

Transformers have been essential to pretraining success in NLP. While other architectures have been used, downstream accuracy is either significantly worse, or requires attention layers to match standard benchmarks such as GLUE. This work explores pretraining without attention by using recent advances in sequence routing based on state-space models (SSMs). Our proposed model, Bidirectional Gated SSM (BiGS), combines SSM layers with a multiplicative gating architecture that has been effective in simplified sequence modeling architectures. The model learns static layers that do not consider pair-wise interactions. Even so, BiGS is able to match BERT pretraining accuracy on GLUE and can be extended to long-form pretraining of 4096 tokens without approximation. Analysis shows that while the models have similar average accuracy, the approach has different inductive biases than BERT in terms of interactions and syntactic representations. All models from this work are available at https://github.com/jxiw/BiGS.

Transformer is a powerful model for text understanding. However, it is inefficient due to its quadratic complexity to input sequence length. Although there are many methods on Transformer acceleration, they are still either inefficient on long sequences or not effective enough. In this paper, we propose Fastformer, which is an efficient Transformer model based on additive attention. In Fastformer, instead of modeling the pair-wise interactions between tokens, we first use additive attention mechanism to model global contexts, and then further transform each token representation based on its interaction with global context representations. In this way, Fastformer can achieve effective context modeling with linear complexity. Extensive experiments on five datasets show that Fastformer is much more efficient than many existing Transformer models and can meanwhile achieve comparable or even better long text modeling performance.

Demystifying the interactions among multiple agents from their past trajectories is fundamental to precise and interpretable trajectory prediction. However, previous works mainly consider static, pair-wise interactions with limited relational reasoning. To promote more comprehensive interaction modeling and relational reasoning, we propose DynGroupNet, a dynamic-group-aware network, which can i) model time-varying interactions in highly dynamic scenes; ii) capture both pair-wise and group-wise interactions; and iii) reason both interaction strength and category without direct supervision. Based on DynGroupNet, we further design a prediction system to forecast socially plausible trajectories with dynamic relational reasoning. The proposed prediction system leverages the Gaussian mixture model, multiple sampling and prediction refinement to promote prediction diversity, training stability and trajectory smoothness, respectively. Extensive experiments show that: 1)DynGroupNet can capture time-varying group behaviors, infer time-varying interaction category and interaction strength during trajectory prediction without any relation supervision on physical simulation datasets; 2)DynGroupNet outperforms the state-of-the-art trajectory prediction methods by a significant improvement of 22.6%/28.0%, 26.9%/34.9%, 5.1%/13.0% in ADE/FDE on the NBA, NFL Football and SDD datasets and achieve the state-of-the-art performance on the ETH-UCY dataset.

This paper presents a novel methodology for predicting international bilateral trade flows, emphasizing the growing importance of Preferential Trade Agreements (PTAs) in the global trade landscape. Acknowledging the limitations of traditional models like the Gravity Model of Trade, this study introduces a two-stage approach combining explainable machine learning and factorization models. The first stage employs SHAP Explainer for effective variable selection, identifying key provisions in PTAs, while the second stage utilizes Factorization Machine models to analyze the pairwise interaction effects of these provisions on trade flows. By analyzing comprehensive datasets, the paper demonstrates the efficacy of this approach. The findings not only enhance the predictive accuracy of trade flow models but also offer deeper insights into the complex dynamics of international trade, influenced by specific bilateral trade provisions.

As the core building block of vision transformers, attention is a powerful tool to capture long-range dependency. However, such power comes at a cost: it incurs a huge computation burden and heavy memory footprint as pairwise token interaction across all spatial locations is computed. A series of works attempt to alleviate this problem by introducing handcrafted and content-agnostic sparsity into attention, such as restricting the attention operation to be inside local windows, axial stripes, or dilated windows. In contrast to these approaches, we propose a novel dynamic sparse attention via bi-level routing to enable a more flexible allocation of computations with content awareness. Specifically, for a query, irrelevant key-value pairs are first filtered out at a coarse region level, and then fine-grained token-to-token attention is applied in the union of remaining candidate regions (\ie, routed regions). We provide a simple yet effective implementation of the proposed bi-level routing attention, which utilizes the sparsity to save both computation and memory while involving only GPU-friendly dense matrix multiplications. Built with the proposed bi-level routing attention, a new general vision transformer, named BiFormer, is then presented. As BiFormer attends to a small subset of relevant tokens in a query adaptive manner without distraction from other irrelevant ones, it enjoys both good performance and high computational efficiency, especially in dense prediction tasks. Empirical results across several computer vision tasks such as image classification, object detection, and semantic segmentation verify the effectiveness of our design. Code is available at https://github.com/rayleizhu/BiFormer.