Daily Papers

Pretrained transformers readily adapt to new sequence modeling tasks via zero-shot prompting, but relational domains still lack architectures that transfer across datasets and tasks. The core challenge is the diversity of relational data, with varying heterogeneous schemas, graph structures and functional dependencies. In this paper, we present the Relational Transformer (RT) architecture, which can be pretrained on diverse relational databases and directly applied to unseen datasets and tasks without task- or dataset-specific fine-tuning, or retrieval of in-context examples. RT (i) tokenizes cells with table/column metadata, (ii) is pretrained via masked token prediction, and (iii) utilizes a novel Relational Attention mechanism over columns, rows, and primary-foreign key links. Pretrained on RelBench datasets spanning tasks such as churn and sales forecasting, RT attains strong zero-shot performance, averaging 94% of fully supervised AUROC on binary classification tasks with a single forward pass of a 22M parameter model, as opposed to 84% for a 27B LLM. Fine-tuning yields state-of-the-art results with high sample efficiency. Our experiments show that RT's zero-shot transfer harnesses task-table context, relational attention patterns and schema semantics. Overall, RT provides a practical path toward foundation models for relational data.

Transformers flexibly operate over sets of real-valued vectors representing task-specific entities and their attributes, where each vector might encode one word-piece token and its position in a sequence, or some piece of information that carries no position at all. But as set processors, transformers are at a disadvantage in reasoning over more general graph-structured data where nodes represent entities and edges represent relations between entities. To address this shortcoming, we generalize transformer attention to consider and update edge vectors in each transformer layer. We evaluate this relational transformer on a diverse array of graph-structured tasks, including the large and challenging CLRS Algorithmic Reasoning Benchmark. There, it dramatically outperforms state-of-the-art graph neural networks expressly designed to reason over graph-structured data. Our analysis demonstrates that these gains are attributable to relational attention's inherent ability to leverage the greater expressivity of graphs over sets.

To understand a document with multiple events, event-event relation extraction (ERE) emerges as a crucial task, aiming to discern how natural events temporally or structurally associate with each other. To achieve this goal, our work addresses the problems of temporal event relation extraction (TRE) and subevent relation extraction (SRE). The latest methods for such problems have commonly built document-level event graphs for global reasoning across sentences. However, the edges between events are usually derived from external tools heuristically, which are not always reliable and may introduce noise. Moreover, they are not capable of preserving logical constraints among event relations, e.g., coreference constraint, symmetry constraint and conjunction constraint. These constraints guarantee coherence between different relation types,enabling the generation of a uniffed event evolution graph. In this work, we propose a novel method named LogicERE, which performs high-order event relation reasoning through modeling logic constraints. Speciffcally, different from conventional event graphs, we design a logic constraint induced graph (LCG) without any external tools. LCG involves event nodes where the interactions among them can model the coreference constraint, and event pairs nodes where the interactions among them can retain the symmetry constraint and conjunction constraint. Then we perform high-order reasoning on LCG with relational graph transformer to obtain enhanced event and event pair embeddings. Finally, we further incorporate logic constraint information via a joint logic learning module. Extensive experiments demonstrate the effectiveness of the proposed method with state-of-the-art performance on benchmark datasets.

Can AI help automate human-easy but computer-hard data preparation tasks that burden data scientists, practitioners, and crowd workers? We answer this question by presenting RPT, a denoising auto-encoder for tuple-to-X models (X could be tuple, token, label, JSON, and so on). RPT is pre-trained for a tuple-to-tuple model by corrupting the input tuple and then learning a model to reconstruct the original tuple. It adopts a Transformer-based neural translation architecture that consists of a bidirectional encoder (similar to BERT) and a left-to-right autoregressive decoder (similar to GPT), leading to a generalization of both BERT and GPT. The pre-trained RPT can already support several common data preparation tasks such as data cleaning, auto-completion and schema matching. Better still, RPT can be fine-tuned on a wide range of data preparation tasks, such as value normalization, data transformation, data annotation, etc. To complement RPT, we also discuss several appealing techniques such as collaborative training and few-shot learning for entity resolution, and few-shot learning and NLP question-answering for information extraction. In addition, we identify a series of research opportunities to advance the field of data preparation.

Tabular data is a common form of organizing data. Multiple models are available to generate synthetic tabular datasets where observations are independent, but few have the ability to produce relational datasets. Modeling relational data is challenging as it requires modeling both a "parent" table and its relationships across tables. We introduce REaLTabFormer (Realistic Relational and Tabular Transformer), a tabular and relational synthetic data generation model. It first creates a parent table using an autoregressive GPT-2 model, then generates the relational dataset conditioned on the parent table using a sequence-to-sequence (Seq2Seq) model. We implement target masking to prevent data copying and propose the Q_{delta} statistic and statistical bootstrapping to detect overfitting. Experiments using real-world datasets show that REaLTabFormer captures the relational structure better than a baseline model. REaLTabFormer also achieves state-of-the-art results on prediction tasks, "out-of-the-box", for large non-relational datasets without needing fine-tuning.

The Transformer architecture processes sequences by implementing a form of neural message-passing that consists of iterative information retrieval (attention), followed by local processing (position-wise MLP). Two types of information are essential under this general computational paradigm: "sensory" information about individual objects, and "relational" information describing the relationships between objects. Standard attention naturally encodes the former, but does not explicitly encode the latter. In this paper, we present an extension of Transformers where multi-head attention is augmented with two distinct types of attention heads, each routing information of a different type. The first type is the standard attention mechanism of Transformers, which captures object-level features, while the second type is a novel attention mechanism we propose to explicitly capture relational information. The two types of attention heads each possess different inductive biases, giving the resulting architecture greater efficiency and versatility. The promise of this approach is demonstrated empirically across a range of tasks.

Transformer language models (LMs) have been shown to represent concepts as directions in the latent space of hidden activations. However, for any given human-interpretable concept, how can we find its direction in the latent space? We present a technique called linear relational concepts (LRC) for finding concept directions corresponding to human-interpretable concepts at a given hidden layer in a transformer LM by first modeling the relation between subject and object as a linear relational embedding (LRE). While the LRE work was mainly presented as an exercise in understanding model representations, we find that inverting the LRE while using earlier object layers results in a powerful technique to find concept directions that both work well as a classifier and causally influence model outputs.

Much of the knowledge encoded in transformer language models (LMs) may be expressed in terms of relations: relations between words and their synonyms, entities and their attributes, etc. We show that, for a subset of relations, this computation is well-approximated by a single linear transformation on the subject representation. Linear relation representations may be obtained by constructing a first-order approximation to the LM from a single prompt, and they exist for a variety of factual, commonsense, and linguistic relations. However, we also identify many cases in which LM predictions capture relational knowledge accurately, but this knowledge is not linearly encoded in their representations. Our results thus reveal a simple, interpretable, but heterogeneously deployed knowledge representation strategy in transformer LMs.

We investigate the capabilities of transformer large language models (LLMs) on relational reasoning tasks involving abstract symbols. Such tasks have long been studied in the neuroscience literature as fundamental building blocks for more complex abilities in programming, mathematics, and verbal reasoning. For (i) regression tasks, we prove that transformers generalize when trained, but require astonishingly large quantities of training data. For (ii) next-token-prediction tasks with symbolic labels, we show an "inverse scaling law": transformers fail to generalize as their embedding dimension increases. For both settings (i) and (ii), we propose subtle transformer modifications which can reduce the amount of data needed by adding two trainable parameters per head.

We present an approach to modifying Transformer architectures by integrating graph-aware relational reasoning into the attention mechanism, merging concepts from graph neural networks and language modeling. Building on the inherent connection between attention and graph theory, we reformulate the Transformer's attention mechanism as a graph operation and propose Graph-Aware Isomorphic Attention. This method leverages advanced graph modeling strategies, including Graph Isomorphism Networks (GIN) and Principal Neighborhood Aggregation (PNA), to enrich the representation of relational structures. Our approach captures complex dependencies and generalizes across tasks, as evidenced by a reduced generalization gap and improved learning performance. Additionally, we expand the concept of graph-aware attention to introduce Sparse GIN-Attention, a fine-tuning approach that employs sparse GINs. By interpreting attention matrices as sparse adjacency graphs, this technique enhances the adaptability of pre-trained foundational models with minimal computational overhead, endowing them with graph-aware capabilities. Sparse GIN-Attention fine-tuning achieves improved training dynamics and better generalization compared to alternative methods like low-rank adaption (LoRA). We discuss latent graph-like structures within traditional attention mechanisms, offering a new lens through which Transformers can be understood. By evolving Transformers as hierarchical GIN models for relational reasoning. This perspective suggests profound implications for foundational model development, enabling the design of architectures that dynamically adapt to both local and global dependencies. Applications in bioinformatics, materials science, language modeling, and beyond could benefit from this synthesis of relational and sequential data modeling, setting the stage for interpretable and generalizable modeling strategies.

Relational structures such as schema linking and schema encoding have been validated as a key component to qualitatively translating natural language into SQL queries. However, introducing these structural relations comes with prices: they often result in a specialized model structure, which largely prohibits using large pretrained models in text-to-SQL. To address this problem, we propose RASAT: a Transformer seq2seq architecture augmented with relation-aware self-attention that could leverage a variety of relational structures while inheriting the pretrained parameters from the T5 model effectively. Our model can incorporate almost all types of existing relations in the literature, and in addition, we propose introducing co-reference relations for the multi-turn scenario. Experimental results on three widely used text-to-SQL datasets, covering both single-turn and multi-turn scenarios, have shown that RASAT could achieve state-of-the-art results across all three benchmarks (75.5% EX on Spider, 52.6% IEX on SParC, and 37.4% IEX on CoSQL).

Compositional relational reasoning (CRR) is a hallmark of human intelligence, but we lack a clear understanding of whether and how existing transformer large language models (LLMs) can solve CRR tasks. To enable systematic exploration of the CRR capability of LLMs, we first propose a new synthetic benchmark called Generalized Associative Recall (GAR) by integrating and generalizing the essence of several tasks in mechanistic interpretability (MI) study in a unified framework. Evaluation shows that GAR is challenging enough for existing LLMs, revealing their fundamental deficiency in CRR. Meanwhile, it is easy enough for systematic MI study. Then, to understand how LLMs solve GAR tasks, we use attribution patching to discover the core circuits reused by Vicuna-33B across different tasks and a set of vital attention heads. Intervention experiments show that the correct functioning of these heads significantly impacts task performance. Especially, we identify two classes of heads whose activations represent the abstract notion of true and false in GAR tasks respectively. They play a fundamental role in CRR across various models and tasks. The dataset and code are available at https://github.com/Caiyun-AI/GAR.

Medical imaging is frequently used in clinical practice and trials for diagnosis and treatment. Writing imaging reports is time-consuming and can be error-prone for inexperienced radiologists. Therefore, automatically generating radiology reports is highly desired to lighten the workload of radiologists and accordingly promote clinical automation, which is an essential task to apply artificial intelligence to the medical domain. In this paper, we propose to generate radiology reports with memory-driven Transformer, where a relational memory is designed to record key information of the generation process and a memory-driven conditional layer normalization is applied to incorporating the memory into the decoder of Transformer. Experimental results on two prevailing radiology report datasets, IU X-Ray and MIMIC-CXR, show that our proposed approach outperforms previous models with respect to both language generation metrics and clinical evaluations. Particularly, this is the first work reporting the generation results on MIMIC-CXR to the best of our knowledge. Further analyses also demonstrate that our approach is able to generate long reports with necessary medical terms as well as meaningful image-text attention mappings.

We generalize deep self-attention distillation in MiniLM (Wang et al., 2020) by only using self-attention relation distillation for task-agnostic compression of pretrained Transformers. In particular, we define multi-head self-attention relations as scaled dot-product between the pairs of query, key, and value vectors within each self-attention module. Then we employ the above relational knowledge to train the student model. Besides its simplicity and unified principle, more favorably, there is no restriction in terms of the number of student's attention heads, while most previous work has to guarantee the same head number between teacher and student. Moreover, the fine-grained self-attention relations tend to fully exploit the interaction knowledge learned by Transformer. In addition, we thoroughly examine the layer selection strategy for teacher models, rather than just relying on the last layer as in MiniLM. We conduct extensive experiments on compressing both monolingual and multilingual pretrained models. Experimental results demonstrate that our models distilled from base-size and large-size teachers (BERT, RoBERTa and XLM-R) outperform the state-of-the-art.

Can we teach natural language understanding models to track their beliefs through intermediate points in text? We propose a representation learning framework called breakpoint modeling that allows for learning of this type. Given any text encoder and data marked with intermediate states (breakpoints) along with corresponding textual queries viewed as true/false propositions (i.e., the candidate beliefs of a model, consisting of information changing through time) our approach trains models in an efficient and end-to-end fashion to build intermediate representations that facilitate teaching and direct querying of beliefs at arbitrary points alongside solving other end tasks. To show the benefit of our approach, we experiment with a diverse set of NLU tasks including relational reasoning on CLUTRR and narrative understanding on bAbI. Using novel belief prediction tasks for both tasks, we show the benefit of our main breakpoint transformer, based on T5, over conventional representation learning approaches in terms of processing efficiency, prediction accuracy and prediction consistency, all with minimal to no effect on corresponding QA end tasks. To show the feasibility of incorporating our belief tracker into more complex reasoning pipelines, we also obtain SOTA performance on the three-tiered reasoning challenge for the TRIP benchmark (around 23-32% absolute improvement on Tasks 2-3).

Few-shot Semantic Segmentation addresses the challenge of segmenting objects in query images with only a handful of annotated examples. However, many previous state-of-the-art methods either have to discard intricate local semantic features or suffer from high computational complexity. To address these challenges, we propose a new Few-shot Semantic Segmentation framework based on the Transformer architecture. Our approach introduces the spatial transformer decoder and the contextual mask generation module to improve the relational understanding between support and query images. Moreover, we introduce a multi scale decoder to refine the segmentation mask by incorporating features from different resolutions in a hierarchical manner. Additionally, our approach integrates global features from intermediate encoder stages to improve contextual understanding, while maintaining a lightweight structure to reduce complexity. This balance between performance and efficiency enables our method to achieve competitive results on benchmark datasets such as PASCAL-5^i and COCO-20^i in both 1-shot and 5-shot settings. Notably, our model with only 1.5 million parameters demonstrates competitive performance while overcoming limitations of existing methodologies. https://github.com/amirrezafateh/MSDNet

This work presents a sparse-attention Transformer architecture for modeling documents that contain large tables. Tables are ubiquitous on the web, and are rich in information. However, more than 20% of relational tables on the web have 20 or more rows (Cafarella et al., 2008), and these large tables present a challenge for current Transformer models, which are typically limited to 512 tokens. Here we propose MATE, a novel Transformer architecture designed to model the structure of web tables. MATE uses sparse attention in a way that allows heads to efficiently attend to either rows or columns in a table. This architecture scales linearly with respect to speed and memory, and can handle documents containing more than 8000 tokens with current accelerators. MATE also has a more appropriate inductive bias for tabular data, and sets a new state-of-the-art for three table reasoning datasets. For HybridQA (Chen et al., 2020b), a dataset that involves large documents containing tables, we improve the best prior result by 19 points.

The execution of graph algorithms using neural networks has recently attracted significant interest due to promising empirical progress. This motivates further understanding of how neural networks can replicate reasoning steps with relational data. In this work, we study the ability of transformer networks to simulate algorithms on graphs from a theoretical perspective. The architecture that we utilize is a looped transformer with extra attention heads that interact with the graph. We prove by construction that this architecture can simulate algorithms such as Dijkstra's shortest path algorithm, Breadth- and Depth-First Search, and Kosaraju's strongly connected components algorithm. The width of the network does not increase with the size of the input graph, which implies that the network can simulate the above algorithms for any graph. Despite this property, we show that there is a limit to simulation in our solution due to finite precision. Finally, we show a Turing Completeness result with constant width when the extra attention heads are utilized.

Virtual try-on aims to synthesize a realistic image of a person wearing a target garment, but accurately modeling garment-body correspondence remains a persistent challenge, especially under pose and appearance variation. In this paper, we propose Voost - a unified and scalable framework that jointly learns virtual try-on and try-off with a single diffusion transformer. By modeling both tasks jointly, Voost enables each garment-person pair to supervise both directions and supports flexible conditioning over generation direction and garment category, enhancing garment-body relational reasoning without task-specific networks, auxiliary losses, or additional labels. In addition, we introduce two inference-time techniques: attention temperature scaling for robustness to resolution or mask variation, and self-corrective sampling that leverages bidirectional consistency between tasks. Extensive experiments demonstrate that Voost achieves state-of-the-art results on both try-on and try-off benchmarks, consistently outperforming strong baselines in alignment accuracy, visual fidelity, and generalization.

We investigate the design of pooling methods used to summarize the outputs of transformer embedding models, primarily motivated by reinforcement learning and vision applications. This work considers problems where a subset of the input vectors contains requisite information for a downstream task (signal) while the rest are distractors (noise). By framing pooling as vector quantization with the goal of minimizing signal loss, we demonstrate that the standard methods used to aggregate transformer outputs, AvgPool, MaxPool, and ClsToken, are vulnerable to performance collapse as the signal-to-noise ratio (SNR) of inputs fluctuates. We then show that an attention-based adaptive pooling method can approximate the signal-optimal vector quantizer within derived error bounds for any SNR. Our theoretical results are first validated by supervised experiments on a synthetic dataset designed to isolate the SNR problem, then generalized to standard relational reasoning, multi-agent reinforcement learning, and vision benchmarks with noisy observations, where transformers with adaptive pooling display superior robustness across tasks.

Many existing end-to-end systems for hybrid question answering tasks can often be boiled down to a "prompt-and-pray" paradigm, where the user has limited control and insight into the intermediate reasoning steps used to achieve the final result. Additionally, due to the context size limitation of many transformer-based LLMs, it is often not reasonable to expect that the full structured and unstructured context will fit into a given prompt in a zero-shot setting, let alone a few-shot setting. We introduce BlendSQL, a superset of SQLite to act as a unified dialect for orchestrating reasoning across both unstructured and structured data. For hybrid question answering tasks involving multi-hop reasoning, we encode the full decomposed reasoning roadmap into a single interpretable BlendSQL query. Notably, we show that BlendSQL can scale to massive datasets and improve the performance of end-to-end systems while using 35% fewer tokens. Our code is available and installable as a package at https://github.com/parkervg/blendsql.

Knowledge probing evaluates the extent to which a language model (LM) has acquired relational knowledge during its pre-training phase. It provides a cost-effective means of comparing LMs of different sizes and training setups and is useful for monitoring knowledge gained or lost during continual learning (CL). In prior work, we presented an improved knowledge probe called BEAR (Wiland et al., 2024), which enables the comparison of LMs trained with different pre-training objectives (causal and masked LMs) and addresses issues of skewed distributions in previous probes to deliver a more unbiased reading of LM knowledge. With this paper, we present LM-PUB- QUIZ, a Python framework and leaderboard built around the BEAR probing mechanism that enables researchers and practitioners to apply it in their work. It provides options for standalone evaluation and direct integration into the widely-used training pipeline of the Hugging Face TRANSFORMERS library. Further, it provides a fine-grained analysis of different knowledge types to assist users in better understanding the knowledge in each evaluated LM. We publicly release LM-PUB-QUIZ as an open-source project.

Transformers have achieved great success in numerous NLP tasks but continue to exhibit notable gaps in multi-step factual reasoning, especially when real-world knowledge is sparse. Recent advances in grokking have demonstrated that neural networks can transition from memorizing to perfectly generalizing once they detect underlying logical patterns - yet these studies have primarily used small, synthetic tasks. In this paper, for the first time, we extend grokking to real-world factual data and address the challenge of dataset sparsity by augmenting existing knowledge graphs with carefully designed synthetic data to raise the ratio phi_r of inferred facts to atomic facts above the threshold required for grokking. Surprisingly, we find that even factually incorrect synthetic data can strengthen emergent reasoning circuits rather than degrade accuracy, as it forces the model to rely on relational structure rather than memorization. When evaluated on multi-hop reasoning benchmarks, our approach achieves up to 95-100% accuracy on 2WikiMultiHopQA - substantially improving over strong baselines and matching or exceeding current state-of-the-art results. We further provide an in-depth analysis of how increasing phi_r drives the formation of generalizing circuits inside Transformers. Our findings suggest that grokking-based data augmentation can unlock implicit multi-hop reasoning capabilities, opening the door to more robust and interpretable factual reasoning in large-scale language models.

Time series anomaly detection (TSAD) is a critical task, but developing models that generalize to unseen data in a zero-shot manner remains a major challenge. Prevailing foundation models for TSAD predominantly rely on reconstruction-based objectives, which suffer from a fundamental objective mismatch: they struggle to identify subtle anomalies while often misinterpreting complex normal patterns, leading to high rates of false negatives and positives. To overcome these limitations, we introduce TimeRCD, a novel foundation model for TSAD built upon a new pre-training paradigm: Relative Context Discrepancy (RCD). Instead of learning to reconstruct inputs, TimeRCD is explicitly trained to identify anomalies by detecting significant discrepancies between adjacent time windows. This relational approach, implemented with a standard Transformer architecture, enables the model to capture contextual shifts indicative of anomalies that reconstruction-based methods often miss. To facilitate this paradigm, we develop a large-scale, diverse synthetic corpus with token-level anomaly labels, providing the rich supervisory signal necessary for effective pre-training. Extensive experiments demonstrate that TimeRCD significantly outperforms existing general-purpose and anomaly-specific foundation models in zero-shot TSAD across diverse datasets. Our results validate the superiority of the RCD paradigm and establish a new, effective path toward building robust and generalizable foundation models for time series anomaly detection.

In-context learning (ICL), the remarkable ability to solve a task from only input exemplars, is often assumed to be a unique hallmark of Transformer models. By examining commonly employed synthetic ICL tasks, we demonstrate that multi-layer perceptrons (MLPs) can also learn in-context. Moreover, MLPs, and the closely related MLP-Mixer models, learn in-context competitively with Transformers given the same compute budget in this setting. We further show that MLPs outperform Transformers on a series of classical tasks from psychology designed to test relational reasoning, which are closely related to in-context classification. These results underscore a need for studying in-context learning beyond attention-based architectures, while also challenging strong prior arguments about MLPs' limited ability to solve relational tasks. Altogether, our results highlight the unexpected competence of MLPs, and support the growing interest in all-MLP alternatives to task-specific architectures.

Relational tables on the Web store a vast amount of knowledge. Owing to the wealth of such tables, there has been tremendous progress on a variety of tasks in the area of table understanding. However, existing work generally relies on heavily-engineered task-specific features and model architectures. In this paper, we present TURL, a novel framework that introduces the pre-training/fine-tuning paradigm to relational Web tables. During pre-training, our framework learns deep contextualized representations on relational tables in an unsupervised manner. Its universal model design with pre-trained representations can be applied to a wide range of tasks with minimal task-specific fine-tuning. Specifically, we propose a structure-aware Transformer encoder to model the row-column structure of relational tables, and present a new Masked Entity Recovery (MER) objective for pre-training to capture the semantics and knowledge in large-scale unlabeled data. We systematically evaluate TURL with a benchmark consisting of 6 different tasks for table understanding (e.g., relation extraction, cell filling). We show that TURL generalizes well to all tasks and substantially outperforms existing methods in almost all instances.

Large language models (LLMs) achieve remarkable fluency across linguistic and reasoning tasks but remain systematically prone to hallucination. Prevailing accounts attribute hallucinations to data gaps, limited context, or optimization errors. We argue instead that hallucination is a structural outcome of the transformer architecture. As coherence engines, transformers are compelled to produce fluent continuations, with self-attention simulating the relational structure of meaning but lacking the existential grounding of temporality, mood, and care that stabilizes human understanding. On this basis, we distinguish ontological hallucination, arising when continuations require disclosure of beings in world, and residual reasoning hallucination, where models mimic inference by recycling traces of human reasoning in text. We illustrate these patterns through case studies aligned with Heideggerian categories and an experiment across twelve LLMs showing how simulated "self-preservation" emerges under extended prompts. Our contribution is threefold: (1) a comparative account showing why existing explanations are insufficient; (2) a predictive taxonomy of hallucination linked to existential structures with proposed benchmarks; and (3) design directions toward "truth-constrained" architectures capable of withholding or deferring when disclosure is absent. We conclude that hallucination is not an incidental defect but a defining limit of transformer-based models, an outcome scaffolding can mask but never resolve.

This paper introduces the Large Memory Model (LM2), a decoder-only Transformer architecture enhanced with an auxiliary memory module that aims to address the limitations of standard Transformers in multi-step reasoning, relational argumentation, and synthesizing information distributed over long contexts. The proposed LM2 incorporates a memory module that acts as a contextual representation repository, interacting with input tokens via cross attention and updating through gating mechanisms. To preserve the Transformers general-purpose capabilities, LM2 maintains the original information flow while integrating a complementary memory pathway. Experimental results on the BABILong benchmark demonstrate that the LM2model outperforms both the memory-augmented RMT model by 37.1% and the baseline Llama-3.2 model by 86.3% on average across tasks. LM2 exhibits exceptional capabilities in multi-hop inference, numerical reasoning, and large-context question-answering. On the MMLU dataset, it achieves a 5.0% improvement over a pre-trained vanilla model, demonstrating that its memory module does not degrade performance on general tasks. Further, in our analysis, we explore the memory interpretability, effectiveness of memory modules, and test-time behavior. Our findings emphasize the importance of explicit memory in enhancing Transformer architectures.

Logs play a crucial role in system monitoring and debugging by recording valuable system information, including events and states. Although various methods have been proposed to detect anomalies in log sequences, they often overlook the significance of considering relations among system components, such as services and users, which can be identified from log contents. Understanding these relations is vital for detecting anomalies and their underlying causes. To address this issue, we introduce GLAD, a Graph-based Log Anomaly Detection framework designed to detect relational anomalies in system logs. GLAD incorporates log semantics, relational patterns, and sequential patterns into a unified framework for anomaly detection. Specifically, GLAD first introduces a field extraction module that utilizes prompt-based few-shot learning to identify essential fields from log contents. Then GLAD constructs dynamic log graphs for sliding windows by interconnecting extracted fields and log events parsed from the log parser. These graphs represent events and fields as nodes and their relations as edges. Subsequently, GLAD utilizes a temporal-attentive graph edge anomaly detection model for identifying anomalous relations in these dynamic log graphs. This model employs a Graph Neural Network (GNN)-based encoder enhanced with transformers to capture content, structural and temporal features. We evaluate our proposed method on three datasets, and the results demonstrate the effectiveness of GLAD in detecting anomalies indicated by varying relational patterns.

We propose a generalization of transformer neural network architecture for arbitrary graphs. The original transformer was designed for Natural Language Processing (NLP), which operates on fully connected graphs representing all connections between the words in a sequence. Such architecture does not leverage the graph connectivity inductive bias, and can perform poorly when the graph topology is important and has not been encoded into the node features. We introduce a graph transformer with four new properties compared to the standard model. First, the attention mechanism is a function of the neighborhood connectivity for each node in the graph. Second, the positional encoding is represented by the Laplacian eigenvectors, which naturally generalize the sinusoidal positional encodings often used in NLP. Third, the layer normalization is replaced by a batch normalization layer, which provides faster training and better generalization performance. Finally, the architecture is extended to edge feature representation, which can be critical to tasks s.a. chemistry (bond type) or link prediction (entity relationship in knowledge graphs). Numerical experiments on a graph benchmark demonstrate the performance of the proposed graph transformer architecture. This work closes the gap between the original transformer, which was designed for the limited case of line graphs, and graph neural networks, that can work with arbitrary graphs. As our architecture is simple and generic, we believe it can be used as a black box for future applications that wish to consider transformer and graphs.

Describing images with text is a fundamental problem in vision-language research. Current studies in this domain mostly focus on single image captioning. However, in various real applications (e.g., image editing, difference interpretation, and retrieval), generating relational captions for two images, can also be very useful. This important problem has not been explored mostly due to lack of datasets and effective models. To push forward the research in this direction, we first introduce a new language-guided image editing dataset that contains a large number of real image pairs with corresponding editing instructions. We then propose a new relational speaker model based on an encoder-decoder architecture with static relational attention and sequential multi-head attention. We also extend the model with dynamic relational attention, which calculates visual alignment while decoding. Our models are evaluated on our newly collected and two public datasets consisting of image pairs annotated with relationship sentences. Experimental results, based on both automatic and human evaluation, demonstrate that our model outperforms all baselines and existing methods on all the datasets.

Transformer is a deep neural network that employs a self-attention mechanism to comprehend the contextual relationships within sequential data. Unlike conventional neural networks or updated versions of Recurrent Neural Networks (RNNs) such as Long Short-Term Memory (LSTM), transformer models excel in handling long dependencies between input sequence elements and enable parallel processing. As a result, transformer-based models have attracted substantial interest among researchers in the field of artificial intelligence. This can be attributed to their immense potential and remarkable achievements, not only in Natural Language Processing (NLP) tasks but also in a wide range of domains, including computer vision, audio and speech processing, healthcare, and the Internet of Things (IoT). Although several survey papers have been published highlighting the transformer's contributions in specific fields, architectural differences, or performance evaluations, there is still a significant absence of a comprehensive survey paper encompassing its major applications across various domains. Therefore, we undertook the task of filling this gap by conducting an extensive survey of proposed transformer models from 2017 to 2022. Our survey encompasses the identification of the top five application domains for transformer-based models, namely: NLP, Computer Vision, Multi-Modality, Audio and Speech Processing, and Signal Processing. We analyze the impact of highly influential transformer-based models in these domains and subsequently classify them based on their respective tasks using a proposed taxonomy. Our aim is to shed light on the existing potential and future possibilities of transformers for enthusiastic researchers, thus contributing to the broader understanding of this groundbreaking technology.

The Transformer architecture has become a dominant choice in many domains, such as natural language processing and computer vision. Yet, it has not achieved competitive performance on popular leaderboards of graph-level prediction compared to mainstream GNN variants. Therefore, it remains a mystery how Transformers could perform well for graph representation learning. In this paper, we solve this mystery by presenting Graphormer, which is built upon the standard Transformer architecture, and could attain excellent results on a broad range of graph representation learning tasks, especially on the recent OGB Large-Scale Challenge. Our key insight to utilizing Transformer in the graph is the necessity of effectively encoding the structural information of a graph into the model. To this end, we propose several simple yet effective structural encoding methods to help Graphormer better model graph-structured data. Besides, we mathematically characterize the expressive power of Graphormer and exhibit that with our ways of encoding the structural information of graphs, many popular GNN variants could be covered as the special cases of Graphormer.

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.

We present the Power Law Graph Transformer, a transformer model with well defined deductive and inductive tasks for prediction and representation learning. The deductive task learns the dataset level (global) and instance level (local) graph structures in terms of learnable power law distribution parameters. The inductive task outputs the prediction probabilities using the deductive task output, similar to a transductive model. We trained our model with Turkish-English and Portuguese-English datasets from TED talk transcripts for machine translation and compared the model performance and characteristics to a transformer model with scaled dot product attention trained on the same experimental setup. We report BLEU scores of 17.79 and 28.33 on the Turkish-English and Portuguese-English translation tasks with our model, respectively. We also show how a duality between a quantization set and N-dimensional manifold representation can be leveraged to transform between local and global deductive-inductive outputs using successive application of linear and non-linear transformations end-to-end.

Graph transformers are a recent advancement in machine learning, offering a new class of neural network models for graph-structured data. The synergy between transformers and graph learning demonstrates strong performance and versatility across various graph-related tasks. This survey provides an in-depth review of recent progress and challenges in graph transformer research. We begin with foundational concepts of graphs and transformers. We then explore design perspectives of graph transformers, focusing on how they integrate graph inductive biases and graph attention mechanisms into the transformer architecture. Furthermore, we propose a taxonomy classifying graph transformers based on depth, scalability, and pre-training strategies, summarizing key principles for effective development of graph transformer models. Beyond technical analysis, we discuss the applications of graph transformer models for node-level, edge-level, and graph-level tasks, exploring their potential in other application scenarios as well. Finally, we identify remaining challenges in the field, such as scalability and efficiency, generalization and robustness, interpretability and explainability, dynamic and complex graphs, as well as data quality and diversity, charting future directions for graph transformer research.

Recurrent neural networks are effective models to process sequences. However, they are unable to learn long-term dependencies because of their inherent sequential nature. As a solution, Vaswani et al. introduced the Transformer, a model solely based on the attention mechanism that is able to relate any two positions of the input sequence, hence modelling arbitrary long dependencies. The Transformer has improved the state-of-the-art across numerous sequence modelling tasks. However, its effectiveness comes at the expense of a quadratic computational and memory complexity with respect to the sequence length, hindering its adoption. Fortunately, the deep learning community has always been interested in improving the models' efficiency, leading to a plethora of solutions such as parameter sharing, pruning, mixed-precision, and knowledge distillation. Recently, researchers have directly addressed the Transformer's limitation by designing lower-complexity alternatives such as the Longformer, Reformer, Linformer, and Performer. However, due to the wide range of solutions, it has become challenging for researchers and practitioners to determine which methods to apply in practice in order to meet the desired trade-off between capacity, computation, and memory. This survey addresses this issue by investigating popular approaches to make Transformers faster and lighter and by providing a comprehensive explanation of the methods' strengths, limitations, and underlying assumptions.

Recent years have seen a phenomenal rise in performance and applications of transformer neural networks. The family of transformer networks, including Bidirectional Encoder Representations from Transformer (BERT), Generative Pretrained Transformer (GPT) and Vision Transformer (ViT), have shown their effectiveness across Natural Language Processing (NLP) and Computer Vision (CV) domains. Transformer-based networks such as ChatGPT have impacted the lives of common men. However, the quest for high predictive performance has led to an exponential increase in transformers' memory and compute footprint. Researchers have proposed techniques to optimize transformer inference at all levels of abstraction. This paper presents a comprehensive survey of techniques for optimizing the inference phase of transformer networks. We survey techniques such as knowledge distillation, pruning, quantization, neural architecture search and lightweight network design at the algorithmic level. We further review hardware-level optimization techniques and the design of novel hardware accelerators for transformers. We summarize the quantitative results on the number of parameters/FLOPs and accuracy of several models/techniques to showcase the tradeoff exercised by them. We also outline future directions in this rapidly evolving field of research. We believe that this survey will educate both novice and seasoned researchers and also spark a plethora of research efforts in this field.

Much of the world's most valued data is stored in relational databases and data warehouses, where the data is organized into many tables connected by primary-foreign key relations. However, building machine learning models using this data is both challenging and time consuming. The core problem is that no machine learning method is capable of learning on multiple tables interconnected by primary-foreign key relations. Current methods can only learn from a single table, so the data must first be manually joined and aggregated into a single training table, the process known as feature engineering. Feature engineering is slow, error prone and leads to suboptimal models. Here we introduce an end-to-end deep representation learning approach to directly learn on data laid out across multiple tables. We name our approach Relational Deep Learning (RDL). The core idea is to view relational databases as a temporal, heterogeneous graph, with a node for each row in each table, and edges specified by primary-foreign key links. Message Passing Graph Neural Networks can then automatically learn across the graph to extract representations that leverage all input data, without any manual feature engineering. Relational Deep Learning leads to more accurate models that can be built much faster. To facilitate research in this area, we develop RelBench, a set of benchmark datasets and an implementation of Relational Deep Learning. The data covers a wide spectrum, from discussions on Stack Exchange to book reviews on the Amazon Product Catalog. Overall, we define a new research area that generalizes graph machine learning and broadens its applicability to a wide set of AI use cases.

Transformers serve as the backbone architectures of Foundational Models, where a domain-specific tokenizer helps them adapt to various domains. Graph Transformers (GTs) have recently emerged as a leading model in geometric deep learning, outperforming Graph Neural Networks (GNNs) in various graph learning tasks. However, the development of tokenizers for graphs has lagged behind other modalities, with existing approaches relying on heuristics or GNNs co-trained with Transformers. To address this, we introduce GQT (Graph Quantized Tokenizer), which decouples tokenizer training from Transformer training by leveraging multi-task graph self-supervised learning, yielding robust and generalizable graph tokens. Furthermore, the GQT utilizes Residual Vector Quantization (RVQ) to learn hierarchical discrete tokens, resulting in significantly reduced memory requirements and improved generalization capabilities. By combining the GQT with token modulation, a Transformer encoder achieves state-of-the-art performance on 16 out of 18 benchmarks, including large-scale homophilic and heterophilic datasets. The code is available at: https://github.com/limei0307/graph-tokenizer

This paper presents a general scheme for enhancing the convergence and performance of DETR (DEtection TRansformer). We investigate the slow convergence problem in transformers from a new perspective, suggesting that it arises from the self-attention that introduces no structural bias over inputs. To address this issue, we explore incorporating position relation prior as attention bias to augment object detection, following the verification of its statistical significance using a proposed quantitative macroscopic correlation (MC) metric. Our approach, termed Relation-DETR, introduces an encoder to construct position relation embeddings for progressive attention refinement, which further extends the traditional streaming pipeline of DETR into a contrastive relation pipeline to address the conflicts between non-duplicate predictions and positive supervision. Extensive experiments on both generic and task-specific datasets demonstrate the effectiveness of our approach. Under the same configurations, Relation-DETR achieves a significant improvement (+2.0% AP compared to DINO), state-of-the-art performance (51.7% AP for 1x and 52.1% AP for 2x settings), and a remarkably faster convergence speed (over 40% AP with only 2 training epochs) than existing DETR detectors on COCO val2017. Moreover, the proposed relation encoder serves as a universal plug-in-and-play component, bringing clear improvements for theoretically any DETR-like methods. Furthermore, we introduce a class-agnostic detection dataset, SA-Det-100k. The experimental results on the dataset illustrate that the proposed explicit position relation achieves a clear improvement of 1.3% AP, highlighting its potential towards universal object detection. The code and dataset are available at https://github.com/xiuqhou/Relation-DETR.

Transformer is a transformative framework that models sequential data and has achieved remarkable performance on a wide range of tasks, but with high computational and energy cost. To improve its efficiency, a popular choice is to compress the models via binarization which constrains the floating-point values into binary ones to save resource consumption owing to cheap bitwise operations significantly. However, existing binarization methods only aim at minimizing the information loss for the input distribution statistically, while ignoring the pairwise similarity modeling at the core of the attention. To this end, we propose a new binarization paradigm customized to high-dimensional softmax attention via kernelized hashing, called EcoFormer, to map the original queries and keys into low-dimensional binary codes in Hamming space. The kernelized hash functions are learned to match the ground-truth similarity relations extracted from the attention map in a self-supervised way. Based on the equivalence between the inner product of binary codes and the Hamming distance as well as the associative property of matrix multiplication, we can approximate the attention in linear complexity by expressing it as a dot-product of binary codes. Moreover, the compact binary representations of queries and keys enable us to replace most of the expensive multiply-accumulate operations in attention with simple accumulations to save considerable on-chip energy footprint on edge devices. Extensive experiments on both vision and language tasks show that EcoFormer consistently achieves comparable performance with standard attentions while consuming much fewer resources. For example, based on PVTv2-B0 and ImageNet-1K, Ecoformer achieves a 73% on-chip energy footprint reduction with only a 0.33% performance drop compared to the standard attention. Code is available at https://github.com/ziplab/EcoFormer.

Relying entirely on an attention mechanism, the Transformer introduced by Vaswani et al. (2017) achieves state-of-the-art results for machine translation. In contrast to recurrent and convolutional neural networks, it does not explicitly model relative or absolute position information in its structure. Instead, it requires adding representations of absolute positions to its inputs. In this work we present an alternative approach, extending the self-attention mechanism to efficiently consider representations of the relative positions, or distances between sequence elements. On the WMT 2014 English-to-German and English-to-French translation tasks, this approach yields improvements of 1.3 BLEU and 0.3 BLEU over absolute position representations, respectively. Notably, we observe that combining relative and absolute position representations yields no further improvement in translation quality. We describe an efficient implementation of our method and cast it as an instance of relation-aware self-attention mechanisms that can generalize to arbitrary graph-labeled inputs.

Transformer models are revolutionizing machine learning, but their inner workings remain mysterious. In this work, we present a new visualization technique designed to help researchers understand the self-attention mechanism in transformers that allows these models to learn rich, contextual relationships between elements of a sequence. The main idea behind our method is to visualize a joint embedding of the query and key vectors used by transformer models to compute attention. Unlike previous attention visualization techniques, our approach enables the analysis of global patterns across multiple input sequences. We create an interactive visualization tool, AttentionViz, based on these joint query-key embeddings, and use it to study attention mechanisms in both language and vision transformers. We demonstrate the utility of our approach in improving model understanding and offering new insights about query-key interactions through several application scenarios and expert feedback.

Which transformer scaling regimes are able to perfectly solve different classes of algorithmic problems? While tremendous empirical advances have been attained by transformer-based neural networks, a theoretical understanding of their algorithmic reasoning capabilities in realistic parameter regimes is lacking. We investigate this question in terms of the network's depth, width, and number of extra tokens for algorithm execution. Our novel representational hierarchy separates 9 algorithmic reasoning problems into classes solvable by transformers in different realistic parameter scaling regimes. We prove that logarithmic depth is necessary and sufficient for tasks like graph connectivity, while single-layer transformers with small embedding dimensions can solve contextual retrieval tasks. We also support our theoretical analysis with ample empirical evidence using the GraphQA benchmark. These results show that transformers excel at many graph reasoning tasks, even outperforming specialized graph neural networks.

Transformer first appears in the field of natural language processing and is later migrated to the computer vision domain, where it demonstrates excellent performance in vision tasks. However, recently, Retentive Network (RetNet) has emerged as an architecture with the potential to replace Transformer, attracting widespread attention in the NLP community. Therefore, we raise the question of whether transferring RetNet's idea to vision can also bring outstanding performance to vision tasks. To address this, we combine RetNet and Transformer to propose RMT. Inspired by RetNet, RMT introduces explicit decay into the vision backbone, bringing prior knowledge related to spatial distances to the vision model. This distance-related spatial prior allows for explicit control of the range of tokens that each token can attend to. Additionally, to reduce the computational cost of global modeling, we decompose this modeling process along the two coordinate axes of the image. Abundant experiments have demonstrated that our RMT exhibits exceptional performance across various computer vision tasks. For example, RMT achieves 84.1% Top1-acc on ImageNet-1k using merely 4.5G FLOPs. To the best of our knowledge, among all models, RMT achieves the highest Top1-acc when models are of similar size and trained with the same strategy. Moreover, RMT significantly outperforms existing vision backbones in downstream tasks such as object detection, instance segmentation, and semantic segmentation. Our work is still in progress.

The Transformer is a sequence model that forgoes traditional recurrent architectures in favor of a fully attention-based approach. Besides improving performance, an advantage of using attention is that it can also help to interpret a model by showing how the model assigns weight to different input elements. However, the multi-layer, multi-head attention mechanism in the Transformer model can be difficult to decipher. To make the model more accessible, we introduce an open-source tool that visualizes attention at multiple scales, each of which provides a unique perspective on the attention mechanism. We demonstrate the tool on BERT and OpenAI GPT-2 and present three example use cases: detecting model bias, locating relevant attention heads, and linking neurons to model behavior.

Multi-person motion prediction is a challenging problem due to the dependency of motion on both individual past movements and interactions with other people. Transformer-based methods have shown promising results on this task, but they miss the explicit relation representation between joints, such as skeleton structure and pairwise distance, which is crucial for accurate interaction modeling. In this paper, we propose the Joint-Relation Transformer, which utilizes relation information to enhance interaction modeling and improve future motion prediction. Our relation information contains the relative distance and the intra-/inter-person physical constraints. To fuse relation and joint information, we design a novel joint-relation fusion layer with relation-aware attention to update both features. Additionally, we supervise the relation information by forecasting future distance. Experiments show that our method achieves a 13.4% improvement of 900ms VIM on 3DPW-SoMoF/RC and 17.8%/12.0% improvement of 3s MPJPE on CMU-Mpcap/MuPoTS-3D dataset.

Transformers provide a class of expressive architectures that are extremely effective for sequence modeling. However, the key limitation of transformers is their quadratic memory and time complexity O(L^2) with respect to the sequence length in attention layers, which restricts application in extremely long sequences. Most existing approaches leverage sparsity or low-rank assumptions in the attention matrix to reduce cost, but sacrifice expressiveness. Instead, we propose Combiner, which provides full attention capability in each attention head while maintaining low computation and memory complexity. The key idea is to treat the self-attention mechanism as a conditional expectation over embeddings at each location, and approximate the conditional distribution with a structured factorization. Each location can attend to all other locations, either via direct attention, or through indirect attention to abstractions, which are again conditional expectations of embeddings from corresponding local regions. We show that most sparse attention patterns used in existing sparse transformers are able to inspire the design of such factorization for full attention, resulting in the same sub-quadratic cost (O(Llog(L)) or O(LL)). Combiner is a drop-in replacement for attention layers in existing transformers and can be easily implemented in common frameworks. An experimental evaluation on both autoregressive and bidirectional sequence tasks demonstrates the effectiveness of this approach, yielding state-of-the-art results on several image and text modeling tasks.

Large models based on the Transformer architecture play increasingly vital roles in artificial intelligence, particularly within the realms of natural language processing (NLP) and computer vision (CV). Model compression methods reduce their memory and computational cost, which is a necessary step to implement the transformer models on practical devices. Given the unique architecture of transformer, featuring alternative attention and Feedforward Neural Network (FFN) modules, specific compression techniques are required. The efficiency of these compression methods is also paramount, as it is usually impractical to retrain large models on the entire training dataset.This survey provides a comprehensive review of recent compression methods, with a specific focus on their application to transformer models. The compression methods are primarily categorized into pruning, quantization, knowledge distillation, and efficient architecture design. In each category, we discuss compression methods for both CV and NLP tasks, highlighting common underlying principles. At last, we delve into the relation between various compression methods, and discuss the further directions in this domain.

The Transformer is an extremely powerful and prominent deep learning architecture. In this work, we challenge the commonly held belief in deep learning that going deeper is better, and show an alternative design approach that is building wider attention Transformers. We demonstrate that wide single layer Transformer models can compete with or outperform deeper ones in a variety of Natural Language Processing (NLP) tasks when both are trained from scratch. The impact of changing the model aspect ratio on Transformers is then studied systematically. This ratio balances the number of layers and the number of attention heads per layer while keeping the total number of attention heads and all other hyperparameters constant. On average, across 4 NLP tasks and 10 attention types, single layer wide models perform 0.3% better than their deep counterparts. We show an in-depth evaluation and demonstrate how wide models require a far smaller memory footprint and can run faster on commodity hardware, in addition, these wider models are also more interpretable. For example, a single layer Transformer on the IMDb byte level text classification has 3.1x faster inference latency on a CPU than its equally accurate deeper counterpart, and is half the size. We therefore put forward wider and shallower models as a viable and desirable alternative for small models on NLP tasks, and as an important area of research for domains beyond this.

In the field of deep learning, Graph Neural Networks (GNNs) and Graph Transformer models, with their outstanding performance and flexible architectural designs, have become leading technologies for processing structured data, especially graph data. Traditional GNNs often face challenges in capturing information from distant vertices effectively. In contrast, Graph Transformer models are particularly adept at managing long-distance node relationships. Despite these advantages, Graph Transformer models still encounter issues with computational and storage efficiency when scaled to large graph datasets. To address these challenges, we propose an innovative Graph Neural Network (GNN) architecture that integrates a Top-m attention mechanism aggregation component and a neighborhood aggregation component, effectively enhancing the model's ability to aggregate relevant information from both local and extended neighborhoods at each layer. This method not only improves computational efficiency but also enriches the node features, facilitating a deeper analysis of complex graph structures. Additionally, to assess the effectiveness of our proposed model, we have applied it to citation sentiment prediction, a novel task previously unexplored in the GNN field. Accordingly, we constructed a dedicated citation network, ArXivNet. In this dataset, we specifically annotated the sentiment polarity of the citations (positive, neutral, negative) to enable in-depth sentiment analysis. Our approach has shown superior performance across a variety of tasks including vertex classification, link prediction, sentiment prediction, graph regression, and visualization. It outperforms existing methods in terms of effectiveness, as demonstrated by experimental results on multiple datasets.

Transformer models typically calculate attention matrices using dot products, which have limitations when capturing nonlinear relationships between embedding vectors. We propose Neural Attention, a technique that replaces dot products with feed-forward networks, enabling a more expressive representation of relationships between tokens. This approach modifies only the attention matrix calculation while preserving the matrix dimensions, making it easily adaptable to existing transformer-based architectures. We provide a detailed mathematical justification for why Neural Attention increases representational capacity and conduct controlled experiments to validate this claim. When comparing Neural Attention and Dot-Product Attention, NLP experiments on WikiText-103 show a reduction in perplexity of over 5 percent. Similarly, experiments on CIFAR-10 and CIFAR-100 show comparable improvements for image classification tasks. While Neural Attention introduces higher computational demands, we develop techniques to mitigate these challenges, ensuring practical usability without sacrificing the increased expressivity it provides. This work establishes Neural Attention as an effective means of enhancing the predictive capabilities of transformer models across a variety of applications.

Inspired by the in-context learning mechanism of large language models (LLMs), a new paradigm of generalizable visual prompt-based image editing is emerging. Existing single-reference methods typically focus on style or appearance adjustments and struggle with non-rigid transformations. To address these limitations, we propose leveraging source-target image pairs to extract and transfer content-aware editing intent to novel query images. To this end, we introduce RelationAdapter, a lightweight module that enables Diffusion Transformer (DiT) based models to effectively capture and apply visual transformations from minimal examples. We also introduce Relation252K, a comprehensive dataset comprising 218 diverse editing tasks, to evaluate model generalization and adaptability in visual prompt-driven scenarios. Experiments on Relation252K show that RelationAdapter significantly improves the model's ability to understand and transfer editing intent, leading to notable gains in generation quality and overall editing performance.

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.

Image captioning models typically follow an encoder-decoder architecture which uses abstract image feature vectors as input to the encoder. One of the most successful algorithms uses feature vectors extracted from the region proposals obtained from an object detector. In this work we introduce the Object Relation Transformer, that builds upon this approach by explicitly incorporating information about the spatial relationship between input detected objects through geometric attention. Quantitative and qualitative results demonstrate the importance of such geometric attention for image captioning, leading to improvements on all common captioning metrics on the MS-COCO dataset.

With Artificial Intelligence (AI) increasingly permeating various aspects of society, including healthcare, the adoption of the Transformers neural network architecture is rapidly changing many applications. Transformer is a type of deep learning architecture initially developed to solve general-purpose Natural Language Processing (NLP) tasks and has subsequently been adapted in many fields, including healthcare. In this survey paper, we provide an overview of how this architecture has been adopted to analyze various forms of data, including medical imaging, structured and unstructured Electronic Health Records (EHR), social media, physiological signals, and biomolecular sequences. Those models could help in clinical diagnosis, report generation, data reconstruction, and drug/protein synthesis. We identified relevant studies using the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines. We also discuss the benefits and limitations of using transformers in healthcare and examine issues such as computational cost, model interpretability, fairness, alignment with human values, ethical implications, and environmental impact.

Besides natural language processing, transformers exhibit extraordinary performance in solving broader applications, including scientific computing and computer vision. Previous works try to explain this from the expressive power and capability perspectives that standard transformers are capable of performing some algorithms. To empower transformers with algorithmic capabilities and motivated by the recently proposed looped transformer (Yang et al., 2024; Giannou et al., 2023), we design a novel transformer block, dubbed Algorithm Transformer (abbreviated as AlgoFormer). Compared with the standard transformer and vanilla looped transformer, the proposed AlgoFormer can achieve significantly higher expressiveness in algorithm representation when using the same number of parameters. In particular, inspired by the structure of human-designed learning algorithms, our transformer block consists of a pre-transformer that is responsible for task pre-processing, a looped transformer for iterative optimization algorithms, and a post-transformer for producing the desired results after post-processing. We provide theoretical evidence of the expressive power of the AlgoFormer in solving some challenging problems, mirroring human-designed algorithms. Furthermore, some theoretical and empirical results are presented to show that the designed transformer has the potential to be smarter than human-designed algorithms. Experimental results demonstrate the empirical superiority of the proposed transformer in that it outperforms the standard transformer and vanilla looped transformer in some challenging tasks.

Complex Logical Query Answering (CLQA) over incomplete knowledge graphs is a challenging task. Recently, Query Embedding (QE) methods are proposed to solve CLQA by performing multi-hop logical reasoning. However, most of them only consider historical query context information while ignoring future information, which leads to their failure to capture the complex dependencies behind the elements of a query. In recent years, the transformer architecture has shown a strong ability to model long-range dependencies between words. The bidirectional attention mechanism proposed by the transformer can solve the limitation of these QE methods regarding query context. Still, as a sequence model, it is difficult for the transformer to model complex logical queries with branch structure computation graphs directly. To this end, we propose a neural one-point embedding method called Pathformer based on the tree-like computation graph, i.e., query computation tree. Specifically, Pathformer decomposes the query computation tree into path query sequences by branches and then uses the transformer encoder to recursively encode these path query sequences to obtain the final query embedding. This allows Pathformer to fully utilize future context information to explicitly model the complex interactions between various parts of the path query. Experimental results show that Pathformer outperforms existing competitive neural QE methods, and we found that Pathformer has the potential to be applied to non-one-point embedding space.

Relational Language-Image Pre-training (RLIP) aims to align vision representations with relational texts, thereby advancing the capability of relational reasoning in computer vision tasks. However, hindered by the slow convergence of RLIPv1 architecture and the limited availability of existing scene graph data, scaling RLIPv1 is challenging. In this paper, we propose RLIPv2, a fast converging model that enables the scaling of relational pre-training to large-scale pseudo-labelled scene graph data. To enable fast scaling, RLIPv2 introduces Asymmetric Language-Image Fusion (ALIF), a mechanism that facilitates earlier and deeper gated cross-modal fusion with sparsified language encoding layers. ALIF leads to comparable or better performance than RLIPv1 in a fraction of the time for pre-training and fine-tuning. To obtain scene graph data at scale, we extend object detection datasets with free-form relation labels by introducing a captioner (e.g., BLIP) and a designed Relation Tagger. The Relation Tagger assigns BLIP-generated relation texts to region pairs, thus enabling larger-scale relational pre-training. Through extensive experiments conducted on Human-Object Interaction Detection and Scene Graph Generation, RLIPv2 shows state-of-the-art performance on three benchmarks under fully-finetuning, few-shot and zero-shot settings. Notably, the largest RLIPv2 achieves 23.29mAP on HICO-DET without any fine-tuning, yields 32.22mAP with just 1% data and yields 45.09mAP with 100% data. Code and models are publicly available at https://github.com/JacobYuan7/RLIPv2.

Recent advances in deep learning have established Transformer architectures as the predominant modeling paradigm. Central to the success of Transformers is the self-attention mechanism, which scores the similarity between query and key matrices to modulate a value matrix. This operation bears striking similarities to digraph convolution, prompting an investigation into whether digraph convolution could serve as an alternative to self-attention. In this study, we formalize this concept by introducing a synthetic unitary digraph convolution based on the digraph Fourier transform. The resulting model, which we term Converter, effectively converts a Transformer into a Directed Graph Neural Network (DGNN) form. We have tested Converter on Long-Range Arena benchmark, long document classification, and DNA sequence-based taxonomy classification. Our experimental results demonstrate that Converter achieves superior performance while maintaining computational efficiency and architectural simplicity, which establishes it as a lightweight yet powerful Transformer variant.

Transformers have revolutionized machine learning with their simple yet effective architecture. Pre-training Transformers on massive text datasets from the Internet has led to unmatched generalization for natural language understanding (NLU) tasks. However, such language models remain fragile when tasked with algorithmic forms of reasoning, where computations must be precise and robust. To address this limitation, we propose a novel approach that combines the Transformer's language understanding with the robustness of graph neural network (GNN)-based neural algorithmic reasoners (NARs). Such NARs proved effective as generic solvers for algorithmic tasks, when specified in graph form. To make their embeddings accessible to a Transformer, we propose a hybrid architecture with a two-phase training procedure, allowing the tokens in the language model to cross-attend to the node embeddings from the NAR. We evaluate our resulting TransNAR model on CLRS-Text, the text-based version of the CLRS-30 benchmark, and demonstrate significant gains over Transformer-only models for algorithmic reasoning, both in and out of distribution.

Transformers have emerged as the prevailing standard solution for various AI tasks, including computer vision and natural language processing. The widely adopted Query, Key, and Value formulation (QKV) has played a significant role in this. Nevertheless, no research has examined the essentiality of these three components for transformer performance. Therefore, we conducted an evaluation of the key-value formulation (KV), which generates symmetric attention maps, along with an asymmetric version that incorporates a 2D positional encoding into the attention matrix. Remarkably, this transformer requires fewer parameters and computation than the original one. Through experiments encompassing three task types -- synthetics (such as reversing or sorting a list), vision (mnist or cifar classification), and NLP (character generation and translation) -- we discovered that the KV transformer occasionally outperforms the QKV transformer. However, it also exhibits instances of underperformance compared to QKV, making it challenging to draw a definitive conclusion. Nonetheless, we consider the reported results to be encouraging and anticipate that they may pave the way for more efficient transformers in the future.

The recent success of Transformer in natural language processing has sparked its use in various domains. In offline reinforcement learning (RL), Decision Transformer (DT) is emerging as a promising model based on Transformer. However, we discovered that the attention module of DT is not appropriate to capture the inherent local dependence pattern in trajectories of RL modeled as a Markov decision process. To overcome the limitations of DT, we propose a novel action sequence predictor, named Decision ConvFormer (DC), based on the architecture of MetaFormer, which is a general structure to process multiple entities in parallel and understand the interrelationship among the multiple entities. DC employs local convolution filtering as the token mixer and can effectively capture the inherent local associations of the RL dataset. In extensive experiments, DC achieved state-of-the-art performance across various standard RL benchmarks while requiring fewer resources. Furthermore, we show that DC better understands the underlying meaning in data and exhibits enhanced generalization capability.

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

Biomedical research is growing at such an exponential pace that scientists, researchers, and practitioners are no more able to cope with the amount of published literature in the domain. The knowledge presented in the literature needs to be systematized in such a way that claims and hypotheses can be easily found, accessed, and validated. Knowledge graphs can provide such a framework for semantic knowledge representation from literature. However, in order to build a knowledge graph, it is necessary to extract knowledge as relationships between biomedical entities and normalize both entities and relationship types. In this paper, we present and compare few rule-based and machine learning-based (Naive Bayes, Random Forests as examples of traditional machine learning methods and DistilBERT, PubMedBERT, T5 and SciFive-based models as examples of modern deep learning transformers) methods for scalable relationship extraction from biomedical literature, and for the integration into the knowledge graphs. We examine how resilient are these various methods to unbalanced and fairly small datasets. Our experiments show that transformer-based models handle well both small (due to pre-training on a large dataset) and unbalanced datasets. The best performing model was the PubMedBERT-based model fine-tuned on balanced data, with a reported F1-score of 0.92. DistilBERT-based model followed with F1-score of 0.89, performing faster and with lower resource requirements. BERT-based models performed better then T5-based generative models.

The digitization of complex technical systems, such as Piping and Instrumentation Diagrams (P&IDs), is crucial for efficient maintenance and operation of complex systems in hydraulic and process engineering. Previous approaches often rely on separate modules that analyze diagram elements individually, neglecting the diagram's overall structure. We address this limitation by proposing a novel approach that utilizes the Relationformer, a state-of-the-art deep learning architecture, to extract graphs from P&IDs. Our method leverages the ability of the Relationformer to simultaneously detect objects and their relationships in images, making it suitable for the task of graph extraction from engineering diagrams. We apply our proposed approach to both real-world and synthetically created P&ID datasets, and evaluate its effectiveness by comparing it with a modular digitization approach based on recent literature. We present PID2Graph, the first publicly accessible P&ID dataset featuring comprehensive labels for the graph structure, including symbols, nodes and their connections that is used for evaluation. To understand the effect of patching and stitching of both of the approaches, we compare values before and after merging the patches. For the real-world data, the Relationformer achieves convincing results, outperforming the modular digitization approach for edge detection by more than 25%. Our work provides a comprehensive framework for assessing the performance of P&ID digitization methods and opens up new avenues for research in this area using transformer architectures. The P&ID dataset used for evaluation will be published and publicly available upon acceptance of the paper.

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

We present RelBench, a public benchmark for solving predictive tasks over relational databases with graph neural networks. RelBench provides databases and tasks spanning diverse domains and scales, and is intended to be a foundational infrastructure for future research. We use RelBench to conduct the first comprehensive study of Relational Deep Learning (RDL) (Fey et al., 2024), which combines graph neural network predictive models with (deep) tabular models that extract initial entity-level representations from raw tables. End-to-end learned RDL models fully exploit the predictive signal encoded in primary-foreign key links, marking a significant shift away from the dominant paradigm of manual feature engineering combined with tabular models. To thoroughly evaluate RDL against this prior gold-standard, we conduct an in-depth user study where an experienced data scientist manually engineers features for each task. In this study, RDL learns better models whilst reducing human work needed by more than an order of magnitude. This demonstrates the power of deep learning for solving predictive tasks over relational databases, opening up many new research opportunities enabled by RelBench.

Recent work demonstrated Transformers' ability to efficiently copy strings of exponential sizes, distinguishing them from other architectures. We present the Causal Relation Network (CausalRN), an all-MLP sequence modeling architecture that can match Transformers on the copying task. Extending Relation Networks (RNs), we implemented key innovations to support autoregressive sequence modeling while maintaining computational feasibility. We discovered that exponentially-activated RNs are reducible to linear time complexity, and pre-activation normalization induces an infinitely growing memory pool, similar to a KV cache. In ablation study, we found both exponential activation and pre-activation normalization are indispensable for Transformer-level copying. Our findings provide new insights into what actually constitutes strong in-context retrieval.

Knowledge graphs enable a wide variety of applications, including question answering and information retrieval. Despite the great effort invested in their creation and maintenance, even the largest (e.g., Yago, DBPedia or Wikidata) remain incomplete. We introduce Relational Graph Convolutional Networks (R-GCNs) and apply them to two standard knowledge base completion tasks: Link prediction (recovery of missing facts, i.e. subject-predicate-object triples) and entity classification (recovery of missing entity attributes). R-GCNs are related to a recent class of neural networks operating on graphs, and are developed specifically to deal with the highly multi-relational data characteristic of realistic knowledge bases. We demonstrate the effectiveness of R-GCNs as a stand-alone model for entity classification. We further show that factorization models for link prediction such as DistMult can be significantly improved by enriching them with an encoder model to accumulate evidence over multiple inference steps in the relational graph, demonstrating a large improvement of 29.8% on FB15k-237 over a decoder-only baseline.

Large Language Models (LLMs) have delivered impressive results in language understanding, generation, reasoning, and pushes the ability boundary of multimodal models. Transformer models, as the foundation of modern LLMs, offer a strong baseline with excellent scaling properties. However, the traditional transformer architecture requires substantial computations and poses significant obstacles for large-scale training and practical deployment. In this survey, we offer a systematic examination of innovative LLM architectures that address the inherent limitations of transformers and boost the efficiency. Starting from language modeling, this survey covers the background and technical details of linear and sparse sequence modeling methods, efficient full attention variants, sparse mixture-of-experts, hybrid model architectures incorporating the above techniques, and emerging diffusion LLMs. Additionally, we discuss applications of these techniques to other modalities and consider their wider implications for developing scalable, resource-aware foundation models. By grouping recent studies into the above category, this survey presents a blueprint of modern efficient LLM architectures, and we hope this could help motivate future research toward more efficient, versatile AI systems.

Recent innovations in transformers have shown their superior performance in natural language processing (NLP) and computer vision (CV). The ability to capture long-range dependencies and interactions in sequential data has also triggered a great interest in time series modeling, leading to the widespread use of transformers in many time series applications. However, being the most common and crucial application, the adaptation of transformers to time series forecasting has remained limited, with both promising and inconsistent results. In contrast to the challenges in NLP and CV, time series problems not only add the complexity of order or temporal dependence among input sequences but also consider trend, level, and seasonality information that much of this data is valuable for decision making. The conventional training scheme has shown deficiencies regarding model overfitting, data scarcity, and privacy issues when working with transformers for a forecasting task. In this work, we propose attentive federated transformers for time series stock forecasting with better performance while preserving the privacy of participating enterprises. Empirical results on various stock data from the Yahoo! Finance website indicate the superiority of our proposed scheme in dealing with the above challenges and data heterogeneity in federated learning.

Chinese Named Entity Recognition (NER) is an important task in information extraction, which has a significant impact on downstream applications. Due to the lack of natural separators in Chinese, previous NER methods mostly relied on external dictionaries to enrich the semantic and boundary information of Chinese words. However, such methods may introduce noise that affects the accuracy of named entity recognition. To this end, we propose a character relation enhanced Chinese NER model (CRENER). This model defines four types of tags that reflect the relationships between characters, and proposes a fine-grained modeling of the relationships between characters based on three types of relationships: adjacency relations between characters, relations between characters and tags, and relations between tags, to more accurately identify entity boundaries and improve Chinese NER accuracy. Specifically, we transform the Chinese NER task into a character-character relationship classification task, ensuring the accuracy of entity boundary recognition through joint modeling of relation tags. To enhance the model's ability to understand contextual information, WRENER further constructed an adapted transformer encoder that combines unscaled direction-aware and distance-aware masked self-attention mechanisms. Moreover, a relationship representation enhancement module was constructed to model predefined relationship tags, effectively mining the relationship representations between characters and tags. Experiments conducted on four well-known Chinese NER benchmark datasets have shown that the proposed model outperforms state-of-the-art baselines. The ablation experiment also demonstrated the effectiveness of the proposed model.

Transformer models are foundational to natural language processing (NLP) and computer vision. Despite various recent works devoted to reducing the quadratic cost of such models (as a function of the sequence length n), dealing with ultra long sequences efficiently (e.g., with more than 16K tokens) remains challenging. Applications such as answering questions based on an entire book or summarizing a scientific article are inefficient or infeasible. In this paper, we propose to significantly reduce the dependency of a Transformer model's complexity on n, by compressing the input into a representation whose size r is independent of n at each layer. Specifically, by exploiting the fact that in many tasks, only a small subset of special tokens (we call VIP-tokens) are most relevant to the final prediction, we propose a VIP-token centric compression (Vcc) scheme which selectively compresses the input sequence based on their impact on approximating the representation of these VIP-tokens. Compared with competitive baselines, the proposed algorithm not only is efficient (achieving more than 3times efficiency improvement compared to baselines on 4K and 16K lengths), but also achieves competitive or better performance on a large number of tasks. Further, we show that our algorithm can be scaled to 128K tokens (or more) while consistently offering accuracy improvement.

Transformer architecture currently represents the main driver behind many successes in a variety of tasks addressed by deep learning, especially the recent advances in natural language processing (NLP) culminating with large language models (LLM). In addition, transformer architecture has found a wide spread of interest from computer vision (CV) researchers and practitioners, allowing for many advancements in vision-related tasks and opening the door for multi-task and multi-modal deep learning architectures that share the same principle of operation. One drawback to these architectures is their reliance on the scaled dot product attention mechanism with the softmax activation function, which is computationally expensive and requires large compute capabilities both for training and inference. This paper investigates substituting the attention mechanism usually adopted for transformer architecture with an architecture incorporating gated linear unit (GLU) activation within a multi-layer perceptron (MLP) structure in conjunction with the default MLP incorporated in the traditional transformer design. Another step forward taken by this paper is to eliminate the second non-gated MLP to further reduce the computational cost. Experimental assessments conducted by this research show that both proposed modifications and reductions offer competitive performance in relation to baseline architectures, in support of the aims of this work in establishing a more efficient yet capable alternative to the traditional attention mechanism as the core component in designing transformer architectures.

Transformers, which are popular for language modeling, have been explored for solving vision tasks recently, e.g., the Vision Transformer (ViT) for image classification. The ViT model splits each image into a sequence of tokens with fixed length and then applies multiple Transformer layers to model their global relation for classification. However, ViT achieves inferior performance to CNNs when trained from scratch on a midsize dataset like ImageNet. We find it is because: 1) the simple tokenization of input images fails to model the important local structure such as edges and lines among neighboring pixels, leading to low training sample efficiency; 2) the redundant attention backbone design of ViT leads to limited feature richness for fixed computation budgets and limited training samples. To overcome such limitations, we propose a new Tokens-To-Token Vision Transformer (T2T-ViT), which incorporates 1) a layer-wise Tokens-to-Token (T2T) transformation to progressively structurize the image to tokens by recursively aggregating neighboring Tokens into one Token (Tokens-to-Token), such that local structure represented by surrounding tokens can be modeled and tokens length can be reduced; 2) an efficient backbone with a deep-narrow structure for vision transformer motivated by CNN architecture design after empirical study. Notably, T2T-ViT reduces the parameter count and MACs of vanilla ViT by half, while achieving more than 3.0\% improvement when trained from scratch on ImageNet. It also outperforms ResNets and achieves comparable performance with MobileNets by directly training on ImageNet. For example, T2T-ViT with comparable size to ResNet50 (21.5M parameters) can achieve 83.3\% top1 accuracy in image resolution 384times384 on ImageNet. (Code: https://github.com/yitu-opensource/T2T-ViT)

Graph Transformer (GT) recently has emerged as a new paradigm of graph learning algorithms, outperforming the previously popular Message Passing Neural Network (MPNN) on multiple benchmarks. Previous work (Kim et al., 2022) shows that with proper position embedding, GT can approximate MPNN arbitrarily well, implying that GT is at least as powerful as MPNN. In this paper, we study the inverse connection and show that MPNN with virtual node (VN), a commonly used heuristic with little theoretical understanding, is powerful enough to arbitrarily approximate the self-attention layer of GT. In particular, we first show that if we consider one type of linear transformer, the so-called Performer/Linear Transformer (Choromanski et al., 2020; Katharopoulos et al., 2020), then MPNN + VN with only O(1) depth and O(1) width can approximate a self-attention layer in Performer/Linear Transformer. Next, via a connection between MPNN + VN and DeepSets, we prove the MPNN + VN with O(n^d) width and O(1) depth can approximate the self-attention layer arbitrarily well, where d is the input feature dimension. Lastly, under some assumptions, we provide an explicit construction of MPNN + VN with O(1) width and O(n) depth approximating the self-attention layer in GT arbitrarily well. On the empirical side, we demonstrate that 1) MPNN + VN is a surprisingly strong baseline, outperforming GT on the recently proposed Long Range Graph Benchmark (LRGB) dataset, 2) our MPNN + VN improves over early implementation on a wide range of OGB datasets and 3) MPNN + VN outperforms Linear Transformer and MPNN on the climate modeling task.

Graph transformers (GTs) have emerged as a promising architecture that is theoretically more expressive than message-passing graph neural networks (GNNs). However, typical GT models have at least quadratic complexity and thus cannot scale to large graphs. While there are several linear GTs recently proposed, they still lag behind GNN counterparts on several popular graph datasets, which poses a critical concern on their practical expressivity. To balance the trade-off between expressivity and scalability of GTs, we propose Polynormer, a polynomial-expressive GT model with linear complexity. Polynormer is built upon a novel base model that learns a high-degree polynomial on input features. To enable the base model permutation equivariant, we integrate it with graph topology and node features separately, resulting in local and global equivariant attention models. Consequently, Polynormer adopts a linear local-to-global attention scheme to learn high-degree equivariant polynomials whose coefficients are controlled by attention scores. Polynormer has been evaluated on 13 homophilic and heterophilic datasets, including large graphs with millions of nodes. Our extensive experiment results show that Polynormer outperforms state-of-the-art GNN and GT baselines on most datasets, even without the use of nonlinear activation functions.

Transformers have become an indispensable module for text generation models since their great success in machine translation. Previous works attribute the~success of transformers to the query-key-value dot-product attention, which provides a robust inductive bias by the fully connected token graphs. However, we found that self-attention has a severe limitation. When predicting the (i+1)-th token, self-attention only takes the i-th token as an information collector, and it tends to give a high attention weight to those tokens similar to itself. Therefore, most of the historical information that occurred before the i-th token is not taken into consideration. Based on this observation, in this paper, we propose a new architecture, called bird-eye transformer(BET), which goes one step further to improve the performance of transformers by reweighting self-attention to encourage it to focus more on important historical information. We have conducted experiments on multiple text generation tasks, including machine translation (2 datasets) and language models (3 datasets). These experimental~results show that our proposed model achieves a better performance than the baseline transformer architectures on~all~datasets. The code is released at: https://sites.google.com/view/bet-transformer/home.

We consider learning representations of entities and relations in KBs using the neural-embedding approach. We show that most existing models, including NTN (Socher et al., 2013) and TransE (Bordes et al., 2013b), can be generalized under a unified learning framework, where entities are low-dimensional vectors learned from a neural network and relations are bilinear and/or linear mapping functions. Under this framework, we compare a variety of embedding models on the link prediction task. We show that a simple bilinear formulation achieves new state-of-the-art results for the task (achieving a top-10 accuracy of 73.2% vs. 54.7% by TransE on Freebase). Furthermore, we introduce a novel approach that utilizes the learned relation embeddings to mine logical rules such as "BornInCity(a,b) and CityInCountry(b,c) => Nationality(a,c)". We find that embeddings learned from the bilinear objective are particularly good at capturing relational semantics and that the composition of relations is characterized by matrix multiplication. More interestingly, we demonstrate that our embedding-based rule extraction approach successfully outperforms a state-of-the-art confidence-based rule mining approach in mining Horn rules that involve compositional reasoning.

Understanding the inner workings of machine learning models like Transformers is vital for their safe and ethical use. This paper provides a comprehensive analysis of a one-layer Transformer model trained to perform n-digit integer addition. Our findings suggest that the model dissects the task into parallel streams dedicated to individual digits, employing varied algorithms tailored to different positions within the digits. Furthermore, we identify a rare scenario characterized by high loss, which we explain. By thoroughly elucidating the model's algorithm, we provide new insights into its functioning. These findings are validated through rigorous testing and mathematical modeling, thereby contributing to the broader fields of model understanding and interpretability. Our approach opens the door for analyzing more complex tasks and multi-layer Transformer models.

Relational reasoning is a central component of generally intelligent behavior, but has proven difficult for neural networks to learn. In this paper we describe how to use Relation Networks (RNs) as a simple plug-and-play module to solve problems that fundamentally hinge on relational reasoning. We tested RN-augmented networks on three tasks: visual question answering using a challenging dataset called CLEVR, on which we achieve state-of-the-art, super-human performance; text-based question answering using the bAbI suite of tasks; and complex reasoning about dynamic physical systems. Then, using a curated dataset called Sort-of-CLEVR we show that powerful convolutional networks do not have a general capacity to solve relational questions, but can gain this capacity when augmented with RNs. Our work shows how a deep learning architecture equipped with an RN module can implicitly discover and learn to reason about entities and their relations.

Modern sequence models (e.g., Transformers, linear RNNs, etc.) emerged as dominant backbones of recent deep learning frameworks, mainly due to their efficiency, representational power, and/or ability to capture long-range dependencies. Adopting these sequence models for graph-structured data has recently gained popularity as the alternative to Message Passing Neural Networks (MPNNs). There is, however, a lack of a common foundation about what constitutes a good graph sequence model, and a mathematical description of the benefits and deficiencies in adopting different sequence models for learning on graphs. To this end, we first present Graph Sequence Model (GSM), a unifying framework for adopting sequence models for graphs, consisting of three main steps: (1) Tokenization, which translates the graph into a set of sequences; (2) Local Encoding, which encodes local neighborhoods around each node; and (3) Global Encoding, which employs a scalable sequence model to capture long-range dependencies within the sequences. This framework allows us to understand, evaluate, and compare the power of different sequence model backbones in graph tasks. Our theoretical evaluations of the representation power of Transformers and modern recurrent models through the lens of global and local graph tasks show that there are both negative and positive sides for both types of models. Building on this observation, we present GSM++, a fast hybrid model that uses the Hierarchical Affinity Clustering (HAC) algorithm to tokenize the graph into hierarchical sequences, and then employs a hybrid architecture of Transformer to encode these sequences. Our theoretical and experimental results support the design of GSM++, showing that GSM++ outperforms baselines in most benchmark evaluations.

Transformer-based large language models have achieved remarkable performance across various natural language processing tasks. However, they often struggle with seemingly easy tasks like arithmetic despite their vast capabilities. This stark disparity raise human's concerns about their safe and ethical use, hinder their widespread adoption.In this paper, we focus on a typical arithmetic task, integer multiplication, to explore and explain the imperfection of transformers in this domain. We provide comprehensive analysis of a vanilla transformer trained to perform n-digit integer multiplication. Our observations indicate that the model decomposes multiplication task into multiple parallel subtasks, sequentially optimizing each subtask for each digit to complete the final multiplication. Based on observation and analysis, we infer the reasons of transformers deficiencies in multiplication tasks lies in their difficulty in calculating successive carryovers and caching intermediate results, and confirmed this inference through experiments. Guided by these findings, we propose improvements to enhance transformers performance on multiplication tasks. These enhancements are validated through rigorous testing and mathematical modeling, not only enhance transformer's interpretability, but also improve its performance, e.g., we achieve over 99.9% accuracy on 5-digit integer multiplication with a tiny transformer, outperform LLMs GPT-4. Our method contributes to the broader fields of model understanding and interpretability, paving the way for analyzing more complex tasks and Transformer models. This work underscores the importance of explainable AI, helping to build trust in large language models and promoting their adoption in critical applications.

Customized image generation is crucial for delivering personalized content based on user-provided image prompts, aligning large-scale text-to-image diffusion models with individual needs. However, existing models often overlook the relationships between customized objects in generated images. Instead, this work addresses that gap by focusing on relation-aware customized image generation, which aims to preserve the identities from image prompts while maintaining the predicate relations described in text prompts. Specifically, we introduce RelationBooth, a framework that disentangles identity and relation learning through a well-curated dataset. Our training data consists of relation-specific images, independent object images containing identity information, and text prompts to guide relation generation. Then, we propose two key modules to tackle the two main challenges: generating accurate and natural relations, especially when significant pose adjustments are required, and avoiding object confusion in cases of overlap. First, we introduce a keypoint matching loss that effectively guides the model in adjusting object poses closely tied to their relationships. Second, we incorporate local features from the image prompts to better distinguish between objects, preventing confusion in overlapping cases. Extensive results on three benchmarks demonstrate the superiority of RelationBooth in generating precise relations while preserving object identities across a diverse set of objects and relations. The source code and trained models will be made available to the public.

Transformers have been established as the most popular backbones in sequence modeling, mainly due to their effectiveness in in-context retrieval tasks and the ability to learn at scale. Their quadratic memory and time complexity, however, bound their applicability in longer sequences and so has motivated researchers to explore effective alternative architectures such as modern recurrent neural networks (a.k.a long-term recurrent memory module). Despite their recent success in diverse downstream tasks, they struggle in tasks that requires long context understanding and extrapolation to longer sequences. We observe that these shortcomings come from three disjoint aspects in their design: (1) limited memory capacity that is bounded by the architecture of memory and feature mapping of the input; (2) online nature of update, i.e., optimizing the memory only with respect to the last input; and (3) less expressive management of their fixed-size memory. To enhance all these three aspects, we present ATLAS, a long-term memory module with high capacity that learns to memorize the context by optimizing the memory based on the current and past tokens, overcoming the online nature of long-term memory models. Building on this insight, we present a new family of Transformer-like architectures, called DeepTransformers, that are strict generalizations of the original Transformer architecture. Our experimental results on language modeling, common-sense reasoning, recall-intensive, and long-context understanding tasks show that ATLAS surpasses the performance of Transformers and recent linear recurrent models. ATLAS further improves the long context performance of Titans, achieving +80\% accuracy in 10M context length of BABILong benchmark.

Transformers often fail to learn generalizable algorithms, instead relying on brittle heuristics. Using graph connectivity as a testbed, we explain this phenomenon both theoretically and empirically. We consider a simplified Transformer architecture, the disentangled Transformer, and prove that an L-layer model has capacity to solve for graphs with diameters up to exactly 3^L, implementing an algorithm equivalent to computing powers of the adjacency matrix. We analyze the training-dynamics, and show that the learned strategy hinges on whether most training instances are within this model capacity. Within-capacity graphs (diameter leq 3^L) drive the learning of a correct algorithmic solution while beyond-capacity graphs drive the learning of a simple heuristic based on node degrees. Finally, we empirically demonstrate that restricting training data within a model's capacity leads to both standard and disentangled transformers learning the exact algorithm rather than the degree-based heuristic.

The Transformer architecture has achieved significant success in natural language processing, motivating its adaptation to computer vision tasks. Unlike convolutional neural networks, vision transformers inherently capture long-range dependencies and enable parallel processing, yet lack inductive biases and efficiency benefits, facing significant computational and memory challenges that limit its real-world applicability. This paper surveys various online strategies for generating lightweight vision transformers for image recognition, focusing on three key areas: Efficient Component Design, Dynamic Network, and Knowledge Distillation. We evaluate the relevant exploration for each topic on the ImageNet-1K benchmark, analyzing trade-offs among precision, parameters, throughput, and more to highlight their respective advantages, disadvantages, and flexibility. Finally, we propose future research directions and potential challenges in the lightweighting of vision transformers with the aim of inspiring further exploration and providing practical guidance for the community. Project Page: https://github.com/ajxklo/Lightweight-VIT

The transformer is a neural network component that can be used to learn useful representations of sequences or sets of data-points. The transformer has driven recent advances in natural language processing, computer vision, and spatio-temporal modelling. There are many introductions to transformers, but most do not contain precise mathematical descriptions of the architecture and the intuitions behind the design choices are often also missing. Moreover, as research takes a winding path, the explanations for the components of the transformer can be idiosyncratic. In this note we aim for a mathematically precise, intuitive, and clean description of the transformer architecture. We will not discuss training as this is rather standard. We assume that the reader is familiar with fundamental topics in machine learning including multi-layer perceptrons, linear transformations, softmax functions and basic probability.

Multimodal recommendation aims to recommend user-preferred candidates based on her/his historically interacted items and associated multimodal information. Previous studies commonly employ an embed-and-retrieve paradigm: learning user and item representations in the same embedding space, then retrieving similar candidate items for a user via embedding inner product. However, this paradigm suffers from inference cost, interaction modeling, and false-negative issues. Toward this end, we propose a new MMGRec model to introduce a generative paradigm into multimodal recommendation. Specifically, we first devise a hierarchical quantization method Graph RQ-VAE to assign Rec-ID for each item from its multimodal and CF information. Consisting of a tuple of semantically meaningful tokens, Rec-ID serves as the unique identifier of each item. Afterward, we train a Transformer-based recommender to generate the Rec-IDs of user-preferred items based on historical interaction sequences. The generative paradigm is qualified since this model systematically predicts the tuple of tokens identifying the recommended item in an autoregressive manner. Moreover, a relation-aware self-attention mechanism is devised for the Transformer to handle non-sequential interaction sequences, which explores the element pairwise relation to replace absolute positional encoding. Extensive experiments evaluate MMGRec's effectiveness compared with state-of-the-art methods.

Pre-trained language models have been found to capture a surprisingly rich amount of lexical knowledge, ranging from commonsense properties of everyday concepts to detailed factual knowledge about named entities. Among others, this makes it possible to distill high-quality word vectors from pre-trained language models. However, it is currently unclear to what extent it is possible to distill relation embeddings, i.e. vectors that characterize the relationship between two words. Such relation embeddings are appealing because they can, in principle, encode relational knowledge in a more fine-grained way than is possible with knowledge graphs. To obtain relation embeddings from a pre-trained language model, we encode word pairs using a (manually or automatically generated) prompt, and we fine-tune the language model such that relationally similar word pairs yield similar output vectors. We find that the resulting relation embeddings are highly competitive on analogy (unsupervised) and relation classification (supervised) benchmarks, even without any task-specific fine-tuning. Source code to reproduce our experimental results and the model checkpoints are available in the following repository: https://github.com/asahi417/relbert

Transformers have become the predominant architecture in foundation models due to their excellent performance across various domains. However, the substantial cost of scaling these models remains a significant concern. This problem arises primarily from their dependence on a fixed number of parameters within linear projections. When architectural modifications (e.g., channel dimensions) are introduced, the entire model typically requires retraining from scratch. As model sizes continue growing, this strategy results in increasingly high computational costs and becomes unsustainable. To overcome this problem, we introduce TokenFormer, a natively scalable architecture that leverages the attention mechanism not only for computations among input tokens but also for interactions between tokens and model parameters, thereby enhancing architectural flexibility. By treating model parameters as tokens, we replace all the linear projections in Transformers with our token-parameter attention layer, where input tokens act as queries and model parameters as keys and values. This reformulation allows for progressive and efficient scaling without necessitating retraining from scratch. Our model scales from 124M to 1.4B parameters by incrementally adding new key-value parameter pairs, achieving performance comparable to Transformers trained from scratch while greatly reducing training costs. Code and models are available at https://github.com/Haiyang-W/TokenFormer.

Transformers, as a fundamental deep learning architecture, have demonstrated remarkable capabilities in reasoning. This paper investigates the generalizable first-order logical reasoning ability of transformers with their parameterized knowledge and explores ways to improve it. The first-order reasoning capability of transformers is assessed through their ability to perform first-order logical entailment, which is quantitatively measured by their performance in answering knowledge graph queries. We establish connections between (1) two types of distribution shifts studied in out-of-distribution generalization and (2) the unseen knowledge and query settings discussed in the task of knowledge graph query answering, enabling a characterization of fine-grained generalizability. Results on our comprehensive dataset show that transformers outperform previous methods specifically designed for this task and provide detailed empirical evidence on the impact of input query syntax, token embedding, and transformer architectures on the reasoning capability of transformers. Interestingly, our findings reveal a mismatch between positional encoding and other design choices in transformer architectures employed in prior practices. This discovery motivates us to propose a more sophisticated, logic-aware architecture, TEGA, to enhance the capability for generalizable first-order logical entailment in transformers.

Transformer models rely on self-attention to capture token dependencies but face challenges in effectively integrating positional information while allowing multi-head attention (MHA) flexibility. Prior methods often model semantic and positional differences disparately or apply uniform positional adjustments across heads, potentially limiting representational capacity. This paper introduces ComplexFormer, featuring Complex Multi-Head Attention-CMHA. CMHA empowers each head to independently model semantic and positional differences unified within the complex plane, representing interactions as rotations and scaling. ComplexFormer incorporates two key improvements: (1) a per-head Euler transformation, converting real-valued query/key projections into polar-form complex vectors for head-specific complex subspace operation; and (2) a per-head adaptive differential rotation mechanism, exp[i(Adapt(ASmn,i) + Delta(Pmn),i)], allowing each head to learn distinct strategies for integrating semantic angle differences (ASmn,i) with relative positional encodings (Delta(Pmn),i). Extensive experiments on language modeling, text generation, code generation, and mathematical reasoning show ComplexFormer achieves superior performance, significantly lower generation perplexity , and improved long-context coherence compared to strong baselines like RoPE-Transformers. ComplexFormer demonstrates strong parameter efficiency, offering a more expressive, adaptable attention mechanism.

Recent work has shown that training loss scales as a power law with both model size and the number of tokens, and that achieving compute-optimal models requires scaling model size and token count together. However, these scaling laws assume an infinite supply of data and apply primarily in compute-bound settings. As modern large language models increasingly rely on massive internet-scale datasets, the assumption that they are compute-bound is becoming less valid. This shift highlights the need for architectures that prioritize token efficiency. In this work, we investigate the use of the 2-simplicial Transformer, an architecture that generalizes standard dot-product attention to trilinear functions through an efficient Triton kernel implementation. We demonstrate that the 2-simplicial Transformer achieves better token efficiency than standard Transformers: for a fixed token budget, similarly sized models outperform their dot-product counterparts on tasks involving mathematics, coding, reasoning, and logic. We quantify these gains by demonstrating that 2-simplicial attention changes the exponent in the scaling laws for knowledge and reasoning tasks compared to dot product attention.

Transformer based language models exhibit intelligent behaviors such as understanding natural language, recognizing patterns, acquiring knowledge, reasoning, planning, reflecting and using tools. This paper explores how their underlying mechanics give rise to intelligent behaviors. Towards that end, we propose framing Transformer dynamics as movement through embedding space. Examining Transformers through this perspective reveals key insights, establishing a Theory of Transformers: 1) Intelligent behaviours map to paths in Embedding Space which, the Transformer random-walks through during inferencing. 2) LM training learns a probability distribution over all possible paths. `Intelligence' is learnt by assigning higher probabilities to paths representing intelligent behaviors. No learning can take place in-context; context only narrows the subset of paths sampled during decoding. 5) The Transformer is a self-mapping composition function, folding a context sequence into a context-vector such that it's proximity to a token-vector reflects its co-occurrence and conditioned probability. Thus, the physical arrangement of vectors in Embedding Space determines path probabilities. 6) Context vectors are composed by aggregating features of the sequence's tokens via a process we call the encoding walk. Attention contributes a - potentially redundant - association-bias to this process. 7) This process is comprised of two principal operation types: filtering (data independent) and aggregation (data dependent). This generalization unifies Transformers with other sequence models. Building upon this foundation, we formalize a popular semantic interpretation of embeddings into a ``concept-space theory'' and find some evidence of it's validity.

The increasing adoption of natural language processing (NLP) models across industries has led to practitioners' need for machine learning systems to handle these models efficiently, from training to serving them in production. However, training, deploying, and updating multiple models can be complex, costly, and time-consuming, mainly when using transformer-based pre-trained language models. Multi-Task Learning (MTL) has emerged as a promising approach to improve efficiency and performance through joint training, rather than training separate models. Motivated by this, we first provide an overview of transformer-based MTL approaches in NLP. Then, we discuss the challenges and opportunities of using MTL approaches throughout typical ML lifecycle phases, specifically focusing on the challenges related to data engineering, model development, deployment, and monitoring phases. This survey focuses on transformer-based MTL architectures and, to the best of our knowledge, is novel in that it systematically analyses how transformer-based MTL in NLP fits into ML lifecycle phases. Furthermore, we motivate research on the connection between MTL and continual learning (CL), as this area remains unexplored. We believe it would be practical to have a model that can handle both MTL and CL, as this would make it easier to periodically re-train the model, update it due to distribution shifts, and add new capabilities to meet real-world requirements.

Transformers are a widespread and successful model architecture, particularly in Natural Language Processing (NLP) and Computer Vision (CV). The essential innovation of this architecture is the Attention Mechanism, which solves the problem of extracting relevant context information from long sequences in NLP and realistic scenes in CV. A classical neural network component, a Multi-Layer Perceptron (MLP), complements the attention mechanism. Its necessity is frequently justified by its capability of modeling nonlinear relationships. However, the attention mechanism itself is nonlinear through its internal use of similarity measures. A possible hypothesis is that this nonlinearity is sufficient for modeling typical application problems. As the MLPs usually contain the most trainable parameters of the whole model, their omission would substantially reduce the parameter set size. Further components can also be reorganized to reduce the number of parameters. Under some conditions, query and key matrices can be collapsed into a single matrix of the same size. The same is true about value and projection matrices, which can also be omitted without eliminating the substance of the attention mechanism. Initially, the similarity measure was defined asymmetrically, with peculiar properties such as that a token is possibly dissimilar to itself. A possible symmetric definition requires only half of the parameters. We have laid the groundwork by testing widespread CV benchmarks: MNIST and CIFAR-10. The tests have shown that simplified transformer architectures (a) without MLP, (b) with collapsed matrices, and (c) symmetric similarity matrices exhibit similar performance as the original architecture, saving up to 90% of parameters without hurting the classification performance.

Humans can easily understand a single image as depicting multiple potential objects permitting interaction. We use this skill to plan our interactions with the world and accelerate understanding new objects without engaging in interaction. In this paper, we would like to endow machines with the similar ability, so that intelligent agents can better explore the 3D scene or manipulate objects. Our approach is a transformer-based model that predicts the 3D location, physical properties and affordance of objects. To power this model, we collect a dataset with Internet videos, egocentric videos and indoor images to train and validate our approach. Our model yields strong performance on our data, and generalizes well to robotics data.

Transformers have become keystone models in natural language processing over the past decade. They have achieved great popularity in deep learning applications, but the increasing sizes of the parameter spaces required by transformer models generate a commensurate need to accelerate performance. Natural language processing problems are also routinely faced with variable-length sequences, as word counts commonly vary among sentences. Existing deep learning frameworks pad variable-length sequences to a maximal length, which adds significant memory and computational overhead. In this paper, we present ByteTransformer, a high-performance transformer boosted for variable-length inputs. We propose a padding-free algorithm that liberates the entire transformer from redundant computations on zero padded tokens. In addition to algorithmic-level optimization, we provide architecture-aware optimizations for transformer functional modules, especially the performance-critical algorithm Multi-Head Attention (MHA). Experimental results on an NVIDIA A100 GPU with variable-length sequence inputs validate that our fused MHA outperforms PyTorch by 6.13x. The end-to-end performance of ByteTransformer for a forward BERT transformer surpasses state-of-the-art transformer frameworks, such as PyTorch JIT, TensorFlow XLA, Tencent TurboTransformer, Microsoft DeepSpeed-Inference and NVIDIA FasterTransformer, by 87\%, 131\%, 138\%, 74\% and 55\%, respectively. We also demonstrate the general applicability of our optimization methods to other BERT-like models, including ALBERT, DistilBERT, and DeBERTa.

Linking information across sources is fundamental to a variety of analyses in social science, business, and government. While large language models (LLMs) offer enormous promise for improving record linkage in noisy datasets, in many domains approximate string matching packages in popular softwares such as R and Stata remain predominant. These packages have clean, simple interfaces and can be easily extended to a diversity of languages. Our open-source package LinkTransformer aims to extend the familiarity and ease-of-use of popular string matching methods to deep learning. It is a general purpose package for record linkage with transformer LLMs that treats record linkage as a text retrieval problem. At its core is an off-the-shelf toolkit for applying transformer models to record linkage with four lines of code. LinkTransformer contains a rich repository of pre-trained transformer semantic similarity models for multiple languages and supports easy integration of any transformer language model from Hugging Face or OpenAI. It supports standard functionality such as blocking and linking on multiple noisy fields. LinkTransformer APIs also perform other common text data processing tasks, e.g., aggregation, noisy de-duplication, and translation-free cross-lingual linkage. Importantly, LinkTransformer also contains comprehensive tools for efficient model tuning, to facilitate different levels of customization when off-the-shelf models do not provide the required accuracy. Finally, to promote reusability, reproducibility, and extensibility, LinkTransformer makes it easy for users to contribute their custom-trained models to its model hub. By combining transformer language models with intuitive APIs that will be familiar to many users of popular string matching packages, LinkTransformer aims to democratize the benefits of LLMs among those who may be less familiar with deep learning frameworks.

We show that standard Transformers without graph-specific modifications can lead to promising results in graph learning both in theory and practice. Given a graph, we simply treat all nodes and edges as independent tokens, augment them with token embeddings, and feed them to a Transformer. With an appropriate choice of token embeddings, we prove that this approach is theoretically at least as expressive as an invariant graph network (2-IGN) composed of equivariant linear layers, which is already more expressive than all message-passing Graph Neural Networks (GNN). When trained on a large-scale graph dataset (PCQM4Mv2), our method coined Tokenized Graph Transformer (TokenGT) achieves significantly better results compared to GNN baselines and competitive results compared to Transformer variants with sophisticated graph-specific inductive bias. Our implementation is available at https://github.com/jw9730/tokengt.

Knowledge distillation aims at transferring knowledge acquired in one model (a teacher) to another model (a student) that is typically smaller. Previous approaches can be expressed as a form of training the student to mimic output activations of individual data examples represented by the teacher. We introduce a novel approach, dubbed relational knowledge distillation (RKD), that transfers mutual relations of data examples instead. For concrete realizations of RKD, we propose distance-wise and angle-wise distillation losses that penalize structural differences in relations. Experiments conducted on different tasks show that the proposed method improves educated student models with a significant margin. In particular for metric learning, it allows students to outperform their teachers' performance, achieving the state of the arts on standard benchmark datasets.

In self-supervised learning, a system is tasked with achieving a surrogate objective by defining alternative targets on a set of unlabeled data. The aim is to build useful representations that can be used in downstream tasks, without costly manual annotation. In this work, we propose a novel self-supervised formulation of relational reasoning that allows a learner to bootstrap a signal from information implicit in unlabeled data. Training a relation head to discriminate how entities relate to themselves (intra-reasoning) and other entities (inter-reasoning), results in rich and descriptive representations in the underlying neural network backbone, which can be used in downstream tasks such as classification and image retrieval. We evaluate the proposed method following a rigorous experimental procedure, using standard datasets, protocols, and backbones. Self-supervised relational reasoning outperforms the best competitor in all conditions by an average 14% in accuracy, and the most recent state-of-the-art model by 3%. We link the effectiveness of the method to the maximization of a Bernoulli log-likelihood, which can be considered as a proxy for maximizing the mutual information, resulting in a more efficient objective with respect to the commonly used contrastive losses.

Transformers have demonstrated remarkable performance in natural language processing and related domains, as they largely focus on sequential, autoregressive next-token prediction tasks. Yet, they struggle in logical reasoning, not necessarily because of a fundamental limitation of these models, but possibly due to the lack of exploration of more creative uses, such as latent space and recurrent reasoning. An emerging exploration in this direction is the Hierarchical Reasoning Model (Wang et. al., 2025), which introduces a novel type of recurrent reasoning in the latent space of transformers, achieving remarkable performance on a wide range of 2D reasoning tasks. Despite the promising results, this line of models is still at an early stage and calls for in-depth investigation. In this work, we review this class of models, examine key design choices, test alternative variants and clarify common misconceptions.

In this paper, we propose a novel learning paradigm, termed Chain-of-Model (CoM), which incorporates the causal relationship into the hidden states of each layer as a chain style, thereby introducing great scaling efficiency in model training and inference flexibility in deployment. We introduce the concept of Chain-of-Representation (CoR), which formulates the hidden states at each layer as a combination of multiple sub-representations (i.e., chains) at the hidden dimension level. In each layer, each chain from the output representations can only view all of its preceding chains in the input representations. Consequently, the model built upon CoM framework can progressively scale up the model size by increasing the chains based on the previous models (i.e., chains), and offer multiple sub-models at varying sizes for elastic inference by using different chain numbers. Based on this principle, we devise Chain-of-Language-Model (CoLM), which incorporates the idea of CoM into each layer of Transformer architecture. Based on CoLM, we further introduce CoLM-Air by introducing a KV sharing mechanism, that computes all keys and values within the first chain and then shares across all chains. This design demonstrates additional extensibility, such as enabling seamless LM switching, prefilling acceleration and so on. Experimental results demonstrate our CoLM family can achieve comparable performance to the standard Transformer, while simultaneously enabling greater flexiblity, such as progressive scaling to improve training efficiency and offer multiple varying model sizes for elastic inference, paving a a new way toward building language models. Our code will be released in the future at: https://github.com/microsoft/CoLM.

Despite the success of deep neural networks, there are still many challenges in deep representation learning due to the data scarcity issues such as data imbalance, unseen distribution, and domain shift. To address the above-mentioned issues, a variety of methods have been devised to explore the sample relationships in a vanilla way (i.e., from the perspectives of either the input or the loss function), failing to explore the internal structure of deep neural networks for learning with sample relationships. Inspired by this, we propose to enable deep neural networks themselves with the ability to learn the sample relationships from each mini-batch. Specifically, we introduce a batch transformer module or BatchFormer, which is then applied into the batch dimension of each mini-batch to implicitly explore sample relationships during training. By doing this, the proposed method enables the collaboration of different samples, e.g., the head-class samples can also contribute to the learning of the tail classes for long-tailed recognition. Furthermore, to mitigate the gap between training and testing, we share the classifier between with or without the BatchFormer during training, which can thus be removed during testing. We perform extensive experiments on over ten datasets and the proposed method achieves significant improvements on different data scarcity applications without any bells and whistles, including the tasks of long-tailed recognition, compositional zero-shot learning, domain generalization, and contrastive learning. Code will be made publicly available at https://github.com/zhihou7/BatchFormer.

Transformers are widely used for solving tasks in natural language processing, computer vision, speech, and music domains. In this paper, we talk about the efficiency of transformers in terms of memory (the number of parameters), computation cost (number of floating points operations), and performance of models, including accuracy, the robustness of the model, and fair \& bias-free features. We mainly discuss the vision transformer for the image classification task. Our contribution is to introduce an efficient 360 framework, which includes various aspects of the vision transformer, to make it more efficient for industrial applications. By considering those applications, we categorize them into multiple dimensions such as privacy, robustness, transparency, fairness, inclusiveness, continual learning, probabilistic models, approximation, computational complexity, and spectral complexity. We compare various vision transformer models based on their performance, the number of parameters, and the number of floating point operations (FLOPs) on multiple datasets.

Vision Transformer (ViT) extends the application range of transformers from language processing to computer vision tasks as being an alternative architecture against the existing convolutional neural networks (CNN). Since the transformer-based architecture has been innovative for computer vision modeling, the design convention towards an effective architecture has been less studied yet. From the successful design principles of CNN, we investigate the role of spatial dimension conversion and its effectiveness on transformer-based architecture. We particularly attend to the dimension reduction principle of CNNs; as the depth increases, a conventional CNN increases channel dimension and decreases spatial dimensions. We empirically show that such a spatial dimension reduction is beneficial to a transformer architecture as well, and propose a novel Pooling-based Vision Transformer (PiT) upon the original ViT model. We show that PiT achieves the improved model capability and generalization performance against ViT. Throughout the extensive experiments, we further show PiT outperforms the baseline on several tasks such as image classification, object detection, and robustness evaluation. Source codes and ImageNet models are available at https://github.com/naver-ai/pit

Detection Transformer (DETR) directly transforms queries to unique objects by using one-to-one bipartite matching during training and enables end-to-end object detection. Recently, these models have surpassed traditional detectors on COCO with undeniable elegance. However, they differ from traditional detectors in multiple designs, including model architecture and training schedules, and thus the effectiveness of one-to-one matching is not fully understood. In this work, we conduct a strict comparison between the one-to-one Hungarian matching in DETRs and the one-to-many label assignments in traditional detectors with non-maximum supervision (NMS). Surprisingly, we observe one-to-many assignments with NMS consistently outperform standard one-to-one matching under the same setting, with a significant gain of up to 2.5 mAP. Our detector that trains Deformable-DETR with traditional IoU-based label assignment achieved 50.2 COCO mAP within 12 epochs (1x schedule) with ResNet50 backbone, outperforming all existing traditional or transformer-based detectors in this setting. On multiple datasets, schedules, and architectures, we consistently show bipartite matching is unnecessary for performant detection transformers. Furthermore, we attribute the success of detection transformers to their expressive transformer architecture. Code is available at https://github.com/jozhang97/DETA.

Temporal Graph Neural Networks have garnered substantial attention for their capacity to model evolving structural and temporal patterns while exhibiting impressive performance. However, it is known that these architectures are encumbered by issues that constrain their performance, such as over-squashing and over-smoothing. Meanwhile, Transformers have demonstrated exceptional computational capacity to effectively address challenges related to long-range dependencies. Consequently, we introduce Todyformer-a novel Transformer-based neural network tailored for dynamic graphs. It unifies the local encoding capacity of Message-Passing Neural Networks (MPNNs) with the global encoding of Transformers through i) a novel patchifying paradigm for dynamic graphs to improve over-squashing, ii) a structure-aware parametric tokenization strategy leveraging MPNNs, iii) a Transformer with temporal positional-encoding to capture long-range dependencies, and iv) an encoding architecture that alternates between local and global contextualization, mitigating over-smoothing in MPNNs. Experimental evaluations on public benchmark datasets demonstrate that Todyformer consistently outperforms the state-of-the-art methods for downstream tasks. Furthermore, we illustrate the underlying aspects of the proposed model in effectively capturing extensive temporal dependencies in dynamic graphs.

Learning feature interaction is the critical backbone to building recommender systems. In web-scale applications, learning feature interaction is extremely challenging due to the sparse and large input feature space; meanwhile, manually crafting effective feature interactions is infeasible because of the exponential solution space. We propose to leverage a Transformer-based architecture with attention layers to automatically capture feature interactions. Transformer architectures have witnessed great success in many domains, such as natural language processing and computer vision. However, there has not been much adoption of Transformer architecture for feature interaction modeling in industry. We aim at closing the gap. We identify two key challenges for applying the vanilla Transformer architecture to web-scale recommender systems: (1) Transformer architecture fails to capture the heterogeneous feature interactions in the self-attention layer; (2) The serving latency of Transformer architecture might be too high to be deployed in web-scale recommender systems. We first propose a heterogeneous self-attention layer, which is a simple yet effective modification to the self-attention layer in Transformer, to take into account the heterogeneity of feature interactions. We then introduce Hiformer (Heterogeneous Interaction Transformer) to further improve the model expressiveness. With low-rank approximation and model pruning, \hiformer enjoys fast inference for online deployment. Extensive offline experiment results corroborates the effectiveness and efficiency of the Hiformer model. We have successfully deployed the Hiformer model to a real world large scale App ranking model at Google Play, with significant improvement in key engagement metrics (up to +2.66\%).

Computer-aided medical image segmentation has been applied widely in diagnosis and treatment to obtain clinically useful information of shapes and volumes of target organs and tissues. In the past several years, convolutional neural network (CNN) based methods (e.g., U-Net) have dominated this area, but still suffered from inadequate long-range information capturing. Hence, recent work presented computer vision Transformer variants for medical image segmentation tasks and obtained promising performances. Such Transformers model long-range dependency by computing pair-wise patch relations. However, they incur prohibitive computational costs, especially on 3D medical images (e.g., CT and MRI). In this paper, we propose a new method called Dilated Transformer, which conducts self-attention for pair-wise patch relations captured alternately in local and global scopes. Inspired by dilated convolution kernels, we conduct the global self-attention in a dilated manner, enlarging receptive fields without increasing the patches involved and thus reducing computational costs. Based on this design of Dilated Transformer, we construct a U-shaped encoder-decoder hierarchical architecture called D-Former for 3D medical image segmentation. Experiments on the Synapse and ACDC datasets show that our D-Former model, trained from scratch, outperforms various competitive CNN-based or Transformer-based segmentation models at a low computational cost without time-consuming per-training process.

Transformers have gained increasing popularity in a wide range of applications, including Natural Language Processing (NLP), Computer Vision and Speech Recognition, because of their powerful representational capacity. However, harnessing this representational capacity effectively requires a large amount of data, strong regularization, or both, to mitigate overfitting. Recently, the power of the Transformer has been unlocked by self-supervised pretraining strategies based on masked autoencoders which rely on reconstructing masked inputs, directly, or contrastively from unmasked content. This pretraining strategy which has been used in BERT models in NLP, Wav2Vec models in Speech and, recently, in MAE models in Vision, forces the model to learn about relationships between the content in different parts of the input using autoencoding related objectives. In this paper, we propose a novel, but surprisingly simple alternative to content reconstruction~-- that of predicting locations from content, without providing positional information for it. Doing so requires the Transformer to understand the positional relationships between different parts of the input, from their content alone. This amounts to an efficient implementation where the pretext task is a classification problem among all possible positions for each input token. We experiment on both Vision and Speech benchmarks, where our approach brings improvements over strong supervised training baselines and is comparable to modern unsupervised/self-supervised pretraining methods. Our method also enables Transformers trained without position embeddings to outperform ones trained with full position information.

Despite significant progress of generative models in the natural sciences, their controllability remains challenging. One fundamentally missing aspect of molecular or protein generative models is an inductive bias that can reflect continuous properties of interest. To that end, we propose the Regression Transformer (RT), a novel method that abstracts regression as a conditional sequence modeling problem. This introduces a new paradigm of multitask language models which seamlessly bridge sequence regression and conditional sequence generation. We thoroughly demonstrate that, despite using a nominal-scale training objective, the RT matches or surpasses the performance of conventional regression models in property prediction tasks of small molecules, proteins and chemical reactions. Critically, priming the same model with continuous properties yields a highly competitive conditional generative model that outperforms specialized approaches in a substructure-constrained, property-driven molecule generation benchmark. Our dichotomous approach is facilitated by a novel, alternating training scheme that enables the model to decorate seed sequences by desired properties, e.g., to optimize reaction yield. In sum, the RT is the first report of a multitask model that concurrently excels at predictive and generative tasks in biochemistry. This finds particular application in property-driven, local exploration of the chemical or protein space and could pave the road toward foundation models in material design. The code to reproduce all experiments of the paper is available at: https://github.com/IBM/regression-transformer

Relational databases are the de facto standard for storing and querying structured data, and extracting insights from structured data requires advanced analytics. Deep neural networks (DNNs) have achieved super-human prediction performance in particular data types, e.g., images. However, existing DNNs may not produce meaningful results when applied to structured data. The reason is that there are correlations and dependencies across combinations of attribute values in a table, and these do not follow simple additive patterns that can be easily mimicked by a DNN. The number of possible such cross features is combinatorial, making them computationally prohibitive to model. Furthermore, the deployment of learning models in real-world applications has also highlighted the need for interpretability, especially for high-stakes applications, which remains another issue of concern to DNNs. In this paper, we present ARM-Net, an adaptive relation modeling network tailored for structured data, and a lightweight framework ARMOR based on ARM-Net for relational data analytics. The key idea is to model feature interactions with cross features selectively and dynamically, by first transforming the input features into exponential space, and then determining the interaction order and interaction weights adaptively for each cross feature. We propose a novel sparse attention mechanism to dynamically generate the interaction weights given the input tuple, so that we can explicitly model cross features of arbitrary orders with noisy features filtered selectively. Then during model inference, ARM-Net can specify the cross features being used for each prediction for higher accuracy and better interpretability. Our extensive experiments on real-world datasets demonstrate that ARM-Net consistently outperforms existing models and provides more interpretable predictions for data-driven decision making.

Graph transformers have emerged as a promising architecture for a variety of graph learning and representation tasks. Despite their successes, though, it remains challenging to scale graph transformers to large graphs while maintaining accuracy competitive with message-passing networks. In this paper, we introduce Exphormer, a framework for building powerful and scalable graph transformers. Exphormer consists of a sparse attention mechanism based on two mechanisms: virtual global nodes and expander graphs, whose mathematical characteristics, such as spectral expansion, pseduorandomness, and sparsity, yield graph transformers with complexity only linear in the size of the graph, while allowing us to prove desirable theoretical properties of the resulting transformer models. We show that incorporating Exphormer into the recently-proposed GraphGPS framework produces models with competitive empirical results on a wide variety of graph datasets, including state-of-the-art results on three datasets. We also show that Exphormer can scale to datasets on larger graphs than shown in previous graph transformer architectures. Code can be found at https://github.com/hamed1375/Exphormer.

Despite the widespread adoption of transformers in medical applications, the exploration of multi-scale learning through transformers remains limited, while hierarchical representations are considered advantageous for computer-aided medical diagnosis. We propose a novel hierarchical transformer model that adeptly integrates the feature extraction capabilities of Convolutional Neural Networks (CNNs) with the advanced representational potential of Vision Transformers (ViTs). Addressing the lack of inductive biases and dependence on extensive training datasets in ViTs, our model employs a CNN backbone to generate hierarchical visual representations. These representations are adapted for transformer input through an innovative patch tokenization process, preserving the inherited multi-scale inductive biases. We also introduce a scale-wise attention mechanism that directly captures intra-scale and inter-scale associations. This mechanism complements patch-wise attention by enhancing spatial understanding and preserving global perception, which we refer to as local and global attention, respectively. Our model significantly outperforms baseline models in terms of classification accuracy, demonstrating its efficiency in bridging the gap between Convolutional Neural Networks (CNNs) and Vision Transformers (ViTs). The components are designed as plug-and-play for different CNN architectures and can be adapted for multiple applications. The code is available at https://github.com/xiaoyatang/DuoFormer.git.

Transformer architecture has widespread applications, particularly in Natural Language Processing and computer vision. Recently Transformers have been employed in various aspects of time-series analysis. This tutorial provides an overview of the Transformer architecture, its applications, and a collection of examples from recent research papers in time-series analysis. We delve into an explanation of the core components of the Transformer, including the self-attention mechanism, positional encoding, multi-head, and encoder/decoder. Several enhancements to the initial, Transformer architecture are highlighted to tackle time-series tasks. The tutorial also provides best practices and techniques to overcome the challenge of effectively training Transformers for time-series analysis.