Daily Papers

To help address the growing demand for ever-longer sequence lengths in transformer models, Liu et al. recently proposed Ring Attention, an exact attention algorithm capable of overcoming per-device memory bottle- necks by distributing self-attention across multiple devices. In this paper, we study the performance characteristics of Ring Attention in the important special case of causal transformer models, and identify a key workload imbal- ance due to triangular structure of causal attention computations. We propose a simple extension to Ring Attention, which we call Striped Attention to fix this imbalance. Instead of devices having contiguous subsequences, each device has a subset of tokens distributed uniformly throughout the sequence, which we demonstrate leads to more even workloads. In experiments running Striped Attention on A100 GPUs and TPUv4s, we are able to achieve up to 1.45x end-to-end throughput improvements over the original Ring Attention algorithm on causal transformer training at a sequence length of 256k. Furthermore, on 16 TPUv4 chips, we were able to achieve 1.65x speedups at sequence lengths of 786k. We release the code for our experiments as open source

In the field of text-to-motion generation, Bert-type Masked Models (MoMask, MMM) currently produce higher-quality outputs compared to GPT-type autoregressive models (T2M-GPT). However, these Bert-type models often lack the streaming output capability required for applications in video game and multimedia environments, a feature inherent to GPT-type models. Additionally, they demonstrate weaker performance in out-of-distribution generation. To surpass the quality of BERT-type models while leveraging a GPT-type structure, without adding extra refinement models that complicate scaling data, we propose a novel architecture, Mogo (Motion Only Generate Once), which generates high-quality lifelike 3D human motions by training a single transformer model. Mogo consists of only two main components: 1) RVQ-VAE, a hierarchical residual vector quantization variational autoencoder, which discretizes continuous motion sequences with high precision; 2) Hierarchical Causal Transformer, responsible for generating the base motion sequences in an autoregressive manner while simultaneously inferring residuals across different layers. Experimental results demonstrate that Mogo can generate continuous and cyclic motion sequences up to 260 frames (13 seconds), surpassing the 196 frames (10 seconds) length limitation of existing datasets like HumanML3D. On the HumanML3D test set, Mogo achieves a FID score of 0.079, outperforming both the GPT-type model T2M-GPT (FID = 0.116), AttT2M (FID = 0.112) and the BERT-type model MMM (FID = 0.080). Furthermore, our model achieves the best quantitative performance in out-of-distribution generation.

Most existing multimodality methods use separate backbones for autoregression-based discrete text generation and diffusion-based continuous visual generation, or the same backbone by discretizing the visual data to use autoregression for both text and visual generation. In this paper, we propose to study a simple idea: share one transformer for both autoregression and diffusion. The feasibility comes from two main aspects: (i) Transformer is successfully applied to diffusion for visual generation, and (ii) transformer training for autoregression and diffusion is very similar, and the difference merely lies in that diffusion uses bidirectional attention mask and autoregression uses causal attention mask. Experimental results show that our approach achieves comparable image generation performance to current state-of-the-art methods as well as maintains the text generation capability. The project is publicly available at https://monoformer.github.io/.

According to the principle of compositional generalization, the meaning of a complex expression can be understood as a function of the meaning of its parts and of how they are combined. This principle is crucial for human language processing and also, arguably, for NLP models in the face of out-of-distribution data. However, many neural network models, including Transformers, have been shown to struggle with compositional generalization. In this paper, we hypothesize that forcing models to in-context learn can provide an inductive bias to promote compositional generalization. To test this hypothesis, we train a causal Transformer in a setting that renders ordinary learning very difficult: we present it with different orderings of the training instance and shuffle instance labels. This corresponds to training the model on all possible few-shot learning problems attainable from the dataset. The model can solve the task, however, by utilizing earlier examples to generalize to later ones (i.e. in-context learning). In evaluations on the datasets, SCAN, COGS, and GeoQuery, models trained in this manner indeed show improved compositional generalization. This indicates the usefulness of in-context learning problems as an inductive bias for generalization.

For text-based AI systems to interact in the real world, causal reasoning is an essential skill. Since interventional data is costly to generate, we study to what extent an agent can learn causal reasoning from passive data. Specifically, we consider an axiomatic training setup where an agent learns from multiple demonstrations of a causal axiom (or rule), rather than incorporating the axiom as an inductive bias or inferring it from data values. A key question is whether the agent would learn to generalize from the axiom demonstrations to new scenarios. For example, if a transformer model is trained on demonstrations of the causal transitivity axiom over small graphs, would it generalize to applying the transitivity axiom over large graphs? Our results, based on a novel axiomatic training scheme, indicate that such generalization is possible. We consider the task of inferring whether a variable causes another variable, given a causal graph structure. We find that a 67 million parameter transformer model, when trained on linear causal chains (along with some noisy variations) can generalize well to new kinds of graphs, including longer causal chains, causal chains with reversed order, and graphs with branching; even when it is not explicitly trained for such settings. Our model performs at par (or even better) than many larger language models such as GPT-4, Gemini Pro, and Phi-3. Overall, our axiomatic training framework provides a new paradigm of learning causal reasoning from passive data that can be used to learn arbitrary axioms, as long as sufficient demonstrations can be generated.

The Transformer architecture has become prominent in developing large causal language models. However, mechanisms to explain its capabilities are not well understood. Focused on the training process, here we establish a meta-learning view of the Transformer architecture when trained for the causal language modeling task, by explicating an inner optimization process that may happen within the Transformer. Further, from within the inner optimization, we discover and theoretically analyze a special characteristic of the norms of learned token representations within Transformer-based causal language models. Our analysis is supported by experiments conducted on pre-trained large language models and real-world data.

Transformer-based language models have found many diverse applications requiring them to process sequences of increasing length. For these applications, the causal self-attention -- which is the only component scaling quadratically w.r.t. the sequence length -- becomes a central concern. While many works have proposed schemes to sparsify the attention patterns and reduce the computational overhead of self-attention, those are often limited by implementations concerns and end up imposing a simple and static structure over the attention matrix. Conversely, implementing more dynamic sparse attentions often results in runtimes significantly slower than computing the full attention using the Flash implementation from Dao et al. (2022). We extend FlashAttention to accommodate a large class of attention sparsity patterns that, in particular, encompass key/query dropping and hashing-based attention. This leads to implementations with no computational complexity overhead and a multi-fold runtime speedup on top of FlashAttention. Even with relatively low degrees of sparsity, our method improves visibly upon FlashAttention as the sequence length increases. Without sacrificing perplexity, we increase the training speed of a transformer language model by 2.0times and 3.3times for sequences of respectively 8k and 16k tokens.

Video restoration poses non-trivial challenges in maintaining fidelity while recovering temporally consistent details from unknown degradations in the wild. Despite recent advances in diffusion-based restoration, these methods often face limitations in generation capability and sampling efficiency. In this work, we present SeedVR, a diffusion transformer designed to handle real-world video restoration with arbitrary length and resolution. The core design of SeedVR lies in the shifted window attention that facilitates effective restoration on long video sequences. SeedVR further supports variable-sized windows near the boundary of both spatial and temporal dimensions, overcoming the resolution constraints of traditional window attention. Equipped with contemporary practices, including causal video autoencoder, mixed image and video training, and progressive training, SeedVR achieves highly-competitive performance on both synthetic and real-world benchmarks, as well as AI-generated videos. Extensive experiments demonstrate SeedVR's superiority over existing methods for generic video restoration.

As we show in this paper, the prediction for output token n+1 of Transformer architectures without one of the mechanisms of positional encodings and causal attention is invariant to permutations of input tokens 1, 2, ..., n-1. Usually, both mechanisms are employed and the symmetry with respect to the input tokens is broken. Recently, it has been shown that one can train Transformers without positional encodings. This must be enabled by the causal attention mechanism. In this paper, we elaborate on the argument that the causal connection mechanism must be responsible for the fact that Transformers are able to model input sequences where the order is important. Vertical "slices" of Transformers are all encouraged to represent the same location k in the input sequence. We hypothesize that residual connections contribute to this phenomenon, and demonstrate evidence for this.

The recent surge of interest in comprehensive multimodal models has necessitated the unification of diverse modalities. However, the unification suffers from disparate methodologies. Continuous visual generation necessitates the full-sequence diffusion-based approach, despite its divergence from the autoregressive modeling in the text domain. We posit that autoregressive modeling, i.e., predicting the future based on past deterministic experience, remains crucial in developing both a visual generation model and a potential unified multimodal model. In this paper, we explore an interpolation between the autoregressive modeling and full-parameters diffusion to model visual information. At its core, we present ACDiT, an Autoregressive blockwise Conditional Diffusion Transformer, where the block size of diffusion, i.e., the size of autoregressive units, can be flexibly adjusted to interpolate between token-wise autoregression and full-sequence diffusion. ACDiT is easy to implement, as simple as creating a Skip-Causal Attention Mask (SCAM) during training. During inference, the process iterates between diffusion denoising and autoregressive decoding that can make full use of KV-Cache. We verify the effectiveness of ACDiT on image and video generation tasks. We also demonstrate that benefitted from autoregressive modeling, ACDiT can be seamlessly used in visual understanding tasks despite being trained on the diffusion objective. The analysis of the trade-off between autoregressive modeling and diffusion demonstrates the potential of ACDiT to be used in long-horizon visual generation tasks. These strengths make it promising as the backbone of future unified models.

We present a simple way to merge masked language modeling with causal language modeling. This hybrid training objective results in a model that combines the strengths of both modeling paradigms within a single transformer stack: GPT-BERT can be transparently used like any standard causal or masked language model. We test the pretraining process that enables this flexible behavior on the BabyLM Challenge 2024. The results show that the hybrid pretraining outperforms masked-only or causal-only models. We openly release the models, training corpora and code.

The incredible success of transformers on sequence modeling tasks can be largely attributed to the self-attention mechanism, which allows information to be transferred between different parts of a sequence. Self-attention allows transformers to encode causal structure which makes them particularly suitable for sequence modeling. However, the process by which transformers learn such causal structure via gradient-based training algorithms remains poorly understood. To better understand this process, we introduce an in-context learning task that requires learning latent causal structure. We prove that gradient descent on a simplified two-layer transformer learns to solve this task by encoding the latent causal graph in the first attention layer. The key insight of our proof is that the gradient of the attention matrix encodes the mutual information between tokens. As a consequence of the data processing inequality, the largest entries of this gradient correspond to edges in the latent causal graph. As a special case, when the sequences are generated from in-context Markov chains, we prove that transformers learn an induction head (Olsson et al., 2022). We confirm our theoretical findings by showing that transformers trained on our in-context learning task are able to recover a wide variety of causal structures.

Causal decoder-only transformer models used for generative language modelling, such as Generative Pre-trained Transformers (GPT), are trained to predict the next token in a sequence based only on its previous tokens. Despite this simple training objective, they have proved to be powerful AI tools. However, only predicting the next token results in top layer embedding vectors that are highly token-focused. There may be benefits in generating embedding vectors at each token position that better capture the overall meaning of longer sequences of future text. Recent studies matching brain scans with deep language models suggest that humans also predict upcoming words when listening or reading but consider multiple future tokens rather than just one. This research investigates a new pretraining method called Future Token Prediction (FTP). In FTP, a large transformer encoder generates top layer embedding vectors for each token position, which, instead of being passed to a language head, are linearly and expansively projected to a pseudo-sequence, which is cross attended to by a small transformer decoder to predict the next N tokens forward from that position in the sequence. The top layer embedding vectors from FTP models exhibit distinct properties compared to those from standard GPT models, varying smoothly along a text sequence as measured by cosine similarity between adjacent tokens. Text generated by FTP models show improved topic coherence compared to standard GPT-like models trained with the same prediction perplexity for the next single token. The vectors are shown to better represent the topic of text based on the results of text classification examples. On a toy, but complex, coding problem, FTP networks produce significantly better results than GPT networks.

We cast real-world humanoid control as a next token prediction problem, akin to predicting the next word in language. Our model is a causal transformer trained via autoregressive prediction of sensorimotor trajectories. To account for the multi-modal nature of the data, we perform prediction in a modality-aligned way, and for each input token predict the next token from the same modality. This general formulation enables us to leverage data with missing modalities, like video trajectories without actions. We train our model on a collection of simulated trajectories coming from prior neural network policies, model-based controllers, motion capture data, and YouTube videos of humans. We show that our model enables a full-sized humanoid to walk in San Francisco zero-shot. Our model can transfer to the real world even when trained on only 27 hours of walking data, and can generalize to commands not seen during training like walking backward. These findings suggest a promising path toward learning challenging real-world control tasks by generative modeling of sensorimotor trajectories.

Large pretrained Transformer language models have been shown to exhibit zero-shot generalization, i.e. they can perform a wide variety of tasks that they were not explicitly trained on. However, the architectures and pretraining objectives used across state-of-the-art models differ significantly, and there has been limited systematic comparison of these factors. In this work, we present a large-scale evaluation of modeling choices and their impact on zero-shot generalization. In particular, we focus on text-to-text models and experiment with three model architectures (causal/non-causal decoder-only and encoder-decoder), trained with two different pretraining objectives (autoregressive and masked language modeling), and evaluated with and without multitask prompted finetuning. We train models with over 5 billion parameters for more than 170 billion tokens, thereby increasing the likelihood that our conclusions will transfer to even larger scales. Our experiments show that causal decoder-only models trained on an autoregressive language modeling objective exhibit the strongest zero-shot generalization after purely unsupervised pretraining. However, models with non-causal visibility on their input trained with a masked language modeling objective followed by multitask finetuning perform the best among our experiments. We therefore consider the adaptation of pretrained models across architectures and objectives. We find that pretrained non-causal decoder models can be adapted into performant generative causal decoder models, using autoregressive language modeling as a downstream task. Furthermore, we find that pretrained causal decoder models can be efficiently adapted into non-causal decoder models, ultimately achieving competitive performance after multitask finetuning. Code and checkpoints are available at https://github.com/bigscience-workshop/architecture-objective.

Transformers with causal attention can solve tasks that require positional information without using positional encodings. In this work, we propose and investigate a new hypothesis about how positional information can be stored without using explicit positional encoding. We observe that nearby embeddings are more similar to each other than faraway embeddings, allowing the transformer to potentially reconstruct the positions of tokens. We show that this pattern can occur in both the trained and the randomly initialized Transformer models with causal attention and no positional encodings over a common range of hyperparameters.

We introduce Causal Diffusion as the autoregressive (AR) counterpart of Diffusion models. It is a next-token(s) forecasting framework that is friendly to both discrete and continuous modalities and compatible with existing next-token prediction models like LLaMA and GPT. While recent works attempt to combine diffusion with AR models, we show that introducing sequential factorization to a diffusion model can substantially improve its performance and enables a smooth transition between AR and diffusion generation modes. Hence, we propose CausalFusion - a decoder-only transformer that dual-factorizes data across sequential tokens and diffusion noise levels, leading to state-of-the-art results on the ImageNet generation benchmark while also enjoying the AR advantage of generating an arbitrary number of tokens for in-context reasoning. We further demonstrate CausalFusion's multimodal capabilities through a joint image generation and captioning model, and showcase CausalFusion's ability for zero-shot in-context image manipulations. We hope that this work could provide the community with a fresh perspective on training multimodal models over discrete and continuous data.

Causal transformer language models (LMs), such as GPT-3, typically require some form of positional encoding, such as positional embeddings. However, we show that LMs without any explicit positional encoding are still competitive with standard models, and that this phenomenon is robust across different datasets, model sizes, and sequence lengths. Probing experiments reveal that such models acquire an implicit notion of absolute positions throughout the network, effectively compensating for the missing information. We conjecture that causal attention enables the model to infer the number of predecessors that each token can attend to, thereby approximating its absolute position. Our findings indicate that causal LMs might derive positional awareness not only from the explicit positioning mechanism, but also from the effects of the causal mask.

Machine learning models will often fail when deployed in an environment with a data distribution that is different than the training distribution. When multiple environments are available during training, many methods exist that learn representations which are invariant across the different distributions, with the hope that these representations will be transportable to unseen domains. In this work, we present a nonparametric strategy for learning invariant representations based on the recently-proposed Nadaraya-Watson (NW) head. The NW head makes a prediction by comparing the learned representations of the query to the elements of a support set that consists of labeled data. We demonstrate that by manipulating the support set, one can encode different causal assumptions. In particular, restricting the support set to a single environment encourages the model to learn invariant features that do not depend on the environment. We present a causally-motivated setup for our modeling and training strategy and validate on three challenging real-world domain generalization tasks in computer vision.

Causal inference is a critical task across fields such as healthcare, economics, and the social sciences. While recent advances in machine learning, especially those based on the deep-learning architectures, have shown potential in estimating causal effects, existing approaches often fall short in handling complex causal structures and lack adaptability across various causal scenarios. In this paper, we present a novel transformer-based method for causal inference that overcomes these challenges. The core innovation of our model lies in its integration of causal Directed Acyclic Graphs (DAGs) directly into the attention mechanism, enabling it to accurately model the underlying causal structure. This allows for flexible estimation of both average treatment effects (ATE) and conditional average treatment effects (CATE). Extensive experiments on both synthetic and real-world datasets demonstrate that our approach surpasses existing methods in estimating causal effects across a wide range of scenarios. The flexibility and robustness of our model make it a valuable tool for researchers and practitioners tackling complex causal inference problems.

In recent years, discriminative self-supervised methods have made significant strides in advancing various visual tasks. The central idea of learning a data encoder that is robust to data distortions/augmentations is straightforward yet highly effective. Although many studies have demonstrated the empirical success of various learning methods, the resulting learned representations can exhibit instability and hinder downstream performance. In this study, we analyze discriminative self-supervised methods from a causal perspective to explain these unstable behaviors and propose solutions to overcome them. Our approach draws inspiration from prior works that empirically demonstrate the ability of discriminative self-supervised methods to demix ground truth causal sources to some extent. Unlike previous work on causality-empowered representation learning, we do not apply our solutions during the training process but rather during the inference process to improve time efficiency. Through experiments on both controlled image datasets and realistic image datasets, we show that our proposed solutions, which involve tempering a linear transformation with controlled synthetic data, are effective in addressing these issues.

Conventional supervised learning methods typically assume i.i.d samples and are found to be sensitive to out-of-distribution (OOD) data. We propose Generative Causal Representation Learning (GCRL) which leverages causality to facilitate knowledge transfer under distribution shifts. While we evaluate the effectiveness of our proposed method in human trajectory prediction models, GCRL can be applied to other domains as well. First, we propose a novel causal model that explains the generative factors in motion forecasting datasets using features that are common across all environments and with features that are specific to each environment. Selection variables are used to determine which parts of the model can be directly transferred to a new environment without fine-tuning. Second, we propose an end-to-end variational learning paradigm to learn the causal mechanisms that generate observations from features. GCRL is supported by strong theoretical results that imply identifiability of the causal model under certain assumptions. Experimental results on synthetic and real-world motion forecasting datasets show the robustness and effectiveness of our proposed method for knowledge transfer under zero-shot and low-shot settings by substantially outperforming the prior motion forecasting models on out-of-distribution prediction. Our code is available at https://github.com/sshirahmad/GCRL.

We classify and re-examine some of the current approaches to improve the performance-computes trade-off of language models, including (1) non-causal models (such as masked language models), (2) extension of batch length with efficient attention, (3) recurrence, (4) conditional computation and (5) retrieval. We identify some limitations (1) - (4) suffer from. For example, (1) currently struggles with open-ended text generation with the output loosely constrained by the input as well as performing general textual tasks like GPT-2/3 due to its need for a specific fine-tuning dataset. (2) and (3) do not improve the prediction of the first sim 10^3 tokens. Scaling up a model size (e.g. efficiently with (4)) still results in poor performance scaling for some tasks. We argue (5) would resolve many of these limitations, and it can (a) reduce the amount of supervision and (b) efficiently extend the context over the entire training dataset and the entire past of the current sample. We speculate how to modify MARGE to perform unsupervised causal modeling that achieves (b) with the retriever jointly trained.

We explore how to enhance next-token prediction models to perform in-context imitation learning on a real robot, where the robot executes new tasks by interpreting contextual information provided during the input phase, without updating its underlying policy parameters. We propose In-Context Robot Transformer (ICRT), a causal transformer that performs autoregressive prediction on sensorimotor trajectories without relying on any linguistic data or reward function. This formulation enables flexible and training-free execution of new tasks at test time, achieved by prompting the model with sensorimotor trajectories of the new task composing of image observations, actions and states tuples, collected through human teleoperation. Experiments with a Franka Emika robot demonstrate that the ICRT can adapt to new tasks specified by prompts, even in environment configurations that differ from both the prompt and the training data. In a multitask environment setup, ICRT significantly outperforms current state-of-the-art next-token prediction models in robotics on generalizing to unseen tasks. Code, checkpoints and data are available on https://icrt.dev/

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.

Causality knowledge is vital to building robust AI systems. Deep learning models often perform poorly on tasks that require causal reasoning, which is often derived using some form of commonsense knowledge not immediately available in the input but implicitly inferred by humans. Prior work has unraveled spurious observational biases that models fall prey to in the absence of causality. While language representation models preserve contextual knowledge within learned embeddings, they do not factor in causal relationships during training. By blending causal relationships with the input features to an existing model that performs visual cognition tasks (such as scene understanding, video captioning, video question-answering, etc.), better performance can be achieved owing to the insight causal relationships bring about. Recently, several models have been proposed that have tackled the task of mining causal data from either the visual or textual modality. However, there does not exist widespread research that mines causal relationships by juxtaposing the visual and language modalities. While images offer a rich and easy-to-process resource for us to mine causality knowledge from, videos are denser and consist of naturally time-ordered events. Also, textual information offers details that could be implicit in videos. We propose iReason, a framework that infers visual-semantic commonsense knowledge using both videos and natural language captions. Furthermore, iReason's architecture integrates a causal rationalization module to aid the process of interpretability, error analysis and bias detection. We demonstrate the effectiveness of iReason using a two-pronged comparative analysis with language representation learning models (BERT, GPT-2) as well as current state-of-the-art multimodal causality models.

Attention mechanisms that confer selective focus on a strict subset of input elements are nearly ubiquitous in language models today. We posit there to be downside to the use of attention: most information present in the input is necessarily lost. In support of this idea we observe poor input representation accuracy in transformers, but find more accurate representation in what we term masked mixers which replace self-attention with masked convolutions. Applied to TinyStories the masked mixer learns causal language tasks more efficiently than early transformer implementations and somewhat less efficiently than optimized, current implementations. The most efficient learning algorithm observed for this dataset is a transformer-masked mixer hybrid, suggesting that these models learn in an orthogonal manner. We hypothesized that the information loss exhibited by transformers would be much more detrimental to retrieval than generation, and to test this we introduce an efficient training approach for retrieval models based on existing generative model embeddings. With this method, embeddings from masked mixers are found to result in far better summary-to-story retrieval compared to embeddings from transformers.

This paper proposes a Disentangled gEnerative cAusal Representation (DEAR) learning method under appropriate supervised information. Unlike existing disentanglement methods that enforce independence of the latent variables, we consider the general case where the underlying factors of interests can be causally related. We show that previous methods with independent priors fail to disentangle causally related factors even under supervision. Motivated by this finding, we propose a new disentangled learning method called DEAR that enables causal controllable generation and causal representation learning. The key ingredient of this new formulation is to use a structural causal model (SCM) as the prior distribution for a bidirectional generative model. The prior is then trained jointly with a generator and an encoder using a suitable GAN algorithm incorporated with supervised information on the ground-truth factors and their underlying causal structure. We provide theoretical justification on the identifiability and asymptotic convergence of the proposed method. We conduct extensive experiments on both synthesized and real data sets to demonstrate the effectiveness of DEAR in causal controllable generation, and the benefits of the learned representations for downstream tasks in terms of sample efficiency and distributional robustness.

Understanding predictions made by deep neural networks is notoriously difficult, but also crucial to their dissemination. As all machine learning based methods, they are as good as their training data, and can also capture unwanted biases. While there are tools that can help understand whether such biases exist, they do not distinguish between correlation and causation, and might be ill-suited for text-based models and for reasoning about high level language concepts. A key problem of estimating the causal effect of a concept of interest on a given model is that this estimation requires the generation of counterfactual examples, which is challenging with existing generation technology. To bridge that gap, we propose CausaLM, a framework for producing causal model explanations using counterfactual language representation models. Our approach is based on fine-tuning of deep contextualized embedding models with auxiliary adversarial tasks derived from the causal graph of the problem. Concretely, we show that by carefully choosing auxiliary adversarial pre-training tasks, language representation models such as BERT can effectively learn a counterfactual representation for a given concept of interest, and be used to estimate its true causal effect on model performance. A byproduct of our method is a language representation model that is unaffected by the tested concept, which can be useful in mitigating unwanted bias ingrained in the data.

Transformer training is notoriously difficult, requiring a careful design of optimizers and use of various heuristics. We make progress towards understanding the subtleties of training Transformers by carefully studying a simple yet canonical linearized shallow Transformer model. Specifically, we train linear Transformers to solve regression tasks, inspired by J.~von Oswald et al.~(ICML 2023), and K.~Ahn et al.~(NeurIPS 2023). Most importantly, we observe that our proposed linearized models can reproduce several prominent aspects of Transformer training dynamics. Consequently, the results obtained in this paper suggest that a simple linearized Transformer model could actually be a valuable, realistic abstraction for understanding Transformer optimization.

Learning representations that capture the underlying data generating process is a key problem for data efficient and robust use of neural networks. One key property for robustness which the learned representation should capture and which recently received a lot of attention is described by the notion of invariance. In this work we provide a causal perspective and new algorithm for learning invariant representations. Empirically we show that this algorithm works well on a diverse set of tasks and in particular we observe state-of-the-art performance on domain generalization, where we are able to significantly boost the score of existing models.

The goal of video summarization is to automatically shorten videos such that it conveys the overall story without losing relevant information. In many application scenarios, improper video summarization can have a large impact. For example in forensics, the quality of the generated video summary will affect an investigator's judgment while in journalism it might yield undesired bias. Because of this, modeling explainability is a key concern. One of the best ways to address the explainability challenge is to uncover the causal relations that steer the process and lead to the result. Current machine learning-based video summarization algorithms learn optimal parameters but do not uncover causal relationships. Hence, they suffer from a relative lack of explainability. In this work, a Causal Explainer, dubbed Causalainer, is proposed to address this issue. Multiple meaningful random variables and their joint distributions are introduced to characterize the behaviors of key components in the problem of video summarization. In addition, helper distributions are introduced to enhance the effectiveness of model training. In visual-textual input scenarios, the extra input can decrease the model performance. A causal semantics extractor is designed to tackle this issue by effectively distilling the mutual information from the visual and textual inputs. Experimental results on commonly used benchmarks demonstrate that the proposed method achieves state-of-the-art performance while being more explainable.

Transformers have recently achieved state-of-the-art performance in speech separation. These models, however, are computationally-demanding and require a lot of learnable parameters. This paper explores Transformer-based speech separation with a reduced computational cost. Our main contribution is the development of the Resource-Efficient Separation Transformer (RE-SepFormer), a self-attention-based architecture that reduces the computational burden in two ways. First, it uses non-overlapping blocks in the latent space. Second, it operates on compact latent summaries calculated from each chunk. The RE-SepFormer reaches a competitive performance on the popular WSJ0-2Mix and WHAM! datasets in both causal and non-causal settings. Remarkably, it scales significantly better than the previous Transformer and RNN-based architectures in terms of memory and inference-time, making it more suitable for processing long mixtures.

Alternatives to backpropagation have long been studied to better understand how biological brains may learn. Recently, they have also garnered interest as a way to train neural networks more efficiently. By relaxing constraints inherent to backpropagation (e.g., symmetric feedforward and feedback weights, sequential updates), these methods enable promising prospects, such as local learning. However, the tradeoffs between different methods in terms of final task performance, convergence speed, and ultimately compute and data requirements are rarely outlined. In this work, we use scaling laws to study the ability of Direct Feedback Alignment~(DFA) to train causal decoder-only Transformers efficiently. Scaling laws provide an overview of the tradeoffs implied by a modeling decision, up to extrapolating how it might transfer to increasingly large models. We find that DFA fails to offer more efficient scaling than backpropagation: there is never a regime for which the degradation in loss incurred by using DFA is worth the potential reduction in compute budget. Our finding comes at variance with previous beliefs in the alternative training methods community, and highlights the need for holistic empirical approaches to better understand modeling decisions.

Flow models are effective at progressively generating realistic images, but they generally struggle to capture long-range dependencies during the generation process as they compress all the information from previous time steps into a single corrupted image. To address this limitation, we propose integrating autoregressive modeling -- known for its excellence in modeling complex, high-dimensional joint probability distributions -- into flow models. During training, at each step, we construct causally-ordered sequences by sampling multiple images from the same semantic category and applying different levels of noise, where images with higher noise levels serve as causal predecessors to those with lower noise levels. This design enables the model to learn broader category-level variations while maintaining proper causal relationships in the flow process. During generation, the model autoregressively conditions the previously generated images from earlier denoising steps, forming a contextual and coherent generation trajectory. Additionally, we design a customized hybrid linear attention mechanism tailored to our modeling approach to enhance computational efficiency. Our approach, termed ARFlow, under 400k training steps, achieves 14.08 FID scores on ImageNet at 128 * 128 without classifier-free guidance, reaching 4.34 FID with classifier-free guidance 1.5, significantly outperforming the previous flow-based model SiT's 9.17 FID. Extensive ablation studies demonstrate the effectiveness of our modeling strategy and chunk-wise attention design.

Recent research in mechanistic interpretability has attempted to reverse-engineer Transformer models by carefully inspecting network weights and activations. However, these approaches require considerable manual effort and still fall short of providing complete, faithful descriptions of the underlying algorithms. In this work, we introduce a procedure for training Transformers that are mechanistically interpretable by design. We build on RASP [Weiss et al., 2021], a programming language that can be compiled into Transformer weights. Instead of compiling human-written programs into Transformers, we design a modified Transformer that can be trained using gradient-based optimization and then automatically converted into a discrete, human-readable program. We refer to these models as Transformer Programs. To validate our approach, we learn Transformer Programs for a variety of problems, including an in-context learning task, a suite of algorithmic problems (e.g. sorting, recognizing Dyck languages), and NLP tasks including named entity recognition and text classification. The Transformer Programs can automatically find reasonable solutions, performing on par with standard Transformers of comparable size; and, more importantly, they are easy to interpret. To demonstrate these advantages, we convert Transformers into Python programs and use off-the-shelf code analysis tools to debug model errors and identify the "circuits" used to solve different sub-problems. We hope that Transformer Programs open a new path toward the goal of intrinsically interpretable machine learning.

This study investigates the existence of positional biases in Transformer-based models for text representation learning, particularly in the context of web document retrieval. We build on previous research that demonstrated loss of information in the middle of input sequences for causal language models, extending it to the domain of representation learning. We examine positional biases at various stages of training for an encoder-decoder model, including language model pre-training, contrastive pre-training, and contrastive fine-tuning. Experiments with the MS-MARCO document collection reveal that after contrastive pre-training the model already generates embeddings that better capture early contents of the input, with fine-tuning further aggravating this effect.

Recent empirical evidence indicates that transformer based in-context learning performs better when using a prefix language model (prefixLM), in which in-context samples can all attend to each other, compared to causal language models (causalLM), which use auto-regressive attention that prohibits in-context samples to attend to future samples. While this result is intuitive, it is not understood from a theoretical perspective. In this paper we take a theoretical approach and analyze the convergence behavior of prefixLM and causalLM under a certain parameter construction. Our analysis shows that both LM types converge to their stationary points at a linear rate, but that while prefixLM converges to the optimal solution of linear regression, causalLM convergence dynamics follows that of an online gradient descent algorithm, which is not guaranteed to be optimal even as the number of samples grows infinitely. We supplement our theoretical claims with empirical experiments over synthetic and real tasks and using various types of transformers. Our experiments verify that causalLM consistently underperforms prefixLM in all settings.

We introduce Bitune, a method that improves instruction-tuning of pretrained decoder-only large language models, leading to consistent gains on downstream tasks. Bitune applies both causal and bidirectional attention to the prompt, to obtain a better representation of the query or instruction. We realize this by introducing two sets of parameters, for which we apply parameter-efficient finetuning techniques. These causal and bidirectional features are then combined into a weighted average with trainable coefficients, which is subsequently used to generate new tokens. We demonstrate significant improvements in zero-shot performance on commonsense reasoning, arithmetic, and language understanding tasks, while extensive ablation studies validate the role of each component and demonstrate the method's agnosticism to different PEFT techniques.

What is the relationship between model architecture and the ability to perform in-context learning? In this empirical study, we take the first steps toward answering this question. We evaluate twelve model architectures capable of causal language modeling across a suite of synthetic in-context learning tasks. These selected architectures represent a broad range of paradigms, including recurrent and convolution-based neural networks, transformers, state-space model inspired, and other emerging attention alternatives. We discover that all the considered architectures can perform in-context learning under a wider range of conditions than previously documented. Additionally, we observe stark differences in statistical efficiency and consistency by varying context length and task difficulty. We also measure each architecture's predisposition towards in-context learning when presented with alternative routes for task resolution. Finally, and somewhat surprisingly, we find that several attention alternatives are more robust in-context learners than transformers. Given that such approaches have constant-sized memory footprints at inference time, this result opens the possibility of scaling up in-context learning to accommodate vastly larger numbers of in-context examples.

Transformers demonstrate impressive performance on a range of reasoning benchmarks. To evaluate the degree to which these abilities are a result of actual reasoning, existing work has focused on developing sophisticated benchmarks for behavioral studies. However, these studies do not provide insights into the internal mechanisms driving the observed capabilities. To improve our understanding of the internal mechanisms of transformers, we present a comprehensive mechanistic analysis of a transformer trained on a synthetic reasoning task. We identify a set of interpretable mechanisms the model uses to solve the task, and validate our findings using correlational and causal evidence. Our results suggest that it implements a depth-bounded recurrent mechanisms that operates in parallel and stores intermediate results in selected token positions. We anticipate that the motifs we identified in our synthetic setting can provide valuable insights into the broader operating principles of transformers and thus provide a basis for understanding more complex models.

We introduce CM3, a family of causally masked generative models trained over a large corpus of structured multi-modal documents that can contain both text and image tokens. Our new causally masked approach generates tokens left to right while also masking out a small number of long token spans that are generated at the end of the string, instead of their original positions. The casual masking object provides a type of hybrid of the more common causal and masked language models, by enabling full generative modeling while also providing bidirectional context when generating the masked spans. We train causally masked language-image models on large-scale web and Wikipedia articles, where each document contains all of the text, hypertext markup, hyperlinks, and image tokens (from a VQVAE-GAN), provided in the order they appear in the original HTML source (before masking). The resulting CM3 models can generate rich structured, multi-modal outputs while conditioning on arbitrary masked document contexts, and thereby implicitly learn a wide range of text, image, and cross modal tasks. They can be prompted to recover, in a zero-shot fashion, the functionality of models such as DALL-E, GENRE, and HTLM. We set the new state-of-the-art in zero-shot summarization, entity linking, and entity disambiguation while maintaining competitive performance in the fine-tuning setting. We can generate images unconditionally, conditioned on text (like DALL-E) and do captioning all in a zero-shot setting with a single model.

A longstanding goal of artificial general intelligence is highly capable generalists that can learn from diverse experiences and generalize to unseen tasks. The language and vision communities have seen remarkable progress toward this trend by scaling up transformer-based models trained on massive datasets, while reinforcement learning (RL) agents still suffer from poor generalization capacity under such paradigms. To tackle this challenge, we propose Meta Decision Transformer (Meta-DT), which leverages the sequential modeling ability of the transformer architecture and robust task representation learning via world model disentanglement to achieve efficient generalization in offline meta-RL. We pretrain a context-aware world model to learn a compact task representation, and inject it as a contextual condition to the causal transformer to guide task-oriented sequence generation. Then, we subtly utilize history trajectories generated by the meta-policy as a self-guided prompt to exploit the architectural inductive bias. We select the trajectory segment that yields the largest prediction error on the pretrained world model to construct the prompt, aiming to encode task-specific information complementary to the world model maximally. Notably, the proposed framework eliminates the requirement of any expert demonstration or domain knowledge at test time. Experimental results on MuJoCo and Meta-World benchmarks across various dataset types show that Meta-DT exhibits superior few and zero-shot generalization capacity compared to strong baselines while being more practical with fewer prerequisites. Our code is available at https://github.com/NJU-RL/Meta-DT.

Foundation models have received much attention due to their effectiveness across a broad range of downstream applications. Though there is a big convergence in terms of architecture, most pretrained models are typically still developed for specific tasks or modalities. In this work, we propose to use language models as a general-purpose interface to various foundation models. A collection of pretrained encoders perceive diverse modalities (such as vision, and language), and they dock with a language model that plays the role of a universal task layer. We propose a semi-causal language modeling objective to jointly pretrain the interface and the modular encoders. We subsume the advantages and capabilities from both causal and non-causal modeling, thereby combining the best of two worlds. Specifically, the proposed method not only inherits the capabilities of in-context learning and open-ended generation from causal language modeling, but also is conducive to finetuning because of the bidirectional encoders. More importantly, our approach seamlessly unlocks the combinations of the above capabilities, e.g., enabling in-context learning or instruction following with finetuned encoders. Experimental results across various language-only and vision-language benchmarks show that our model outperforms or is competitive with specialized models on finetuning, zero-shot generalization, and few-shot learning.

Current video diffusion models achieve impressive generation quality but struggle in interactive applications due to bidirectional attention dependencies. The generation of a single frame requires the model to process the entire sequence, including the future. We address this limitation by adapting a pretrained bidirectional diffusion transformer to a causal transformer that generates frames on-the-fly. To further reduce latency, we extend distribution matching distillation (DMD) to videos, distilling 50-step diffusion model into a 4-step generator. To enable stable and high-quality distillation, we introduce a student initialization scheme based on teacher's ODE trajectories, as well as an asymmetric distillation strategy that supervises a causal student model with a bidirectional teacher. This approach effectively mitigates error accumulation in autoregressive generation, allowing long-duration video synthesis despite training on short clips. Our model supports fast streaming generation of high quality videos at 9.4 FPS on a single GPU thanks to KV caching. Our approach also enables streaming video-to-video translation, image-to-video, and dynamic prompting in a zero-shot manner. We will release the code based on an open-source model in the future.

This work examines whether decoder-only Transformers such as LLaMA, which were originally designed for large language models (LLMs), can be adapted to the computer vision field. We first "LLaMAfy" a standard ViT step-by-step to align with LLaMA's architecture, and find that directly applying a casual mask to the self-attention brings an attention collapse issue, resulting in the failure to the network training. We suggest to reposition the class token behind the image tokens with a post-sequence class token technique to overcome this challenge, enabling causal self-attention to efficiently capture the entire image's information. Additionally, we develop a soft mask strategy that gradually introduces a casual mask to the self-attention at the onset of training to facilitate the optimization behavior. The tailored model, dubbed as image LLaMA (iLLaMA), is akin to LLaMA in architecture and enables direct supervised learning. Its causal self-attention boosts computational efficiency and learns complex representation by elevating attention map ranks. iLLaMA rivals the performance with its encoder-only counterparts, achieving 75.1% ImageNet top-1 accuracy with only 5.7M parameters. Scaling the model to ~310M and pre-training on ImageNet-21K further enhances the accuracy to 86.0%. Extensive experiments demonstrate iLLaMA's reliable properties: calibration, shape-texture bias, quantization compatibility, ADE20K segmentation and CIFAR transfer learning. We hope our study can kindle fresh views to visual model design in the wave of LLMs. Pre-trained models and codes are available here.

Despite the promise of Mixture of Experts (MoE) models in increasing parameter counts of Transformer models while maintaining training and inference costs, their application carries notable drawbacks. The key strategy of these models is to, for each processed token, activate at most a few experts - subsets of an extensive feed-forward layer. But this approach is not without its challenges. The operation of matching experts and tokens is discrete, which makes MoE models prone to issues like training instability and uneven expert utilization. Existing techniques designed to address these concerns, such as auxiliary losses or balance-aware matching, result either in lower model performance or are more difficult to train. In response to these issues, we propose Mixture of Tokens, a fully-differentiable model that retains the benefits of MoE architectures while avoiding the aforementioned difficulties. Rather than routing tokens to experts, this approach mixes tokens from different examples prior to feeding them to experts, enabling the model to learn from all token-expert combinations. Importantly, this mixing can be disabled to avoid mixing of different sequences during inference. Crucially, this method is fully compatible with both masked and causal Large Language Model training and inference.

Next-token prediction models have predominantly relied on decoder-only Transformers with causal attention, driven by the common belief that causal attention is essential to prevent "cheating" by masking future tokens. We challenge this widely accepted notion and argue that this design choice is about efficiency rather than necessity. While decoder-only Transformers are still a good choice for practical reasons, they are not the only viable option. In this work, we introduce Encoder-only Next Token Prediction (ENTP). We explore the differences between ENTP and decoder-only Transformers in expressive power and complexity, highlighting potential advantages of ENTP. We introduce the Triplet-Counting task and show, both theoretically and experimentally, that while ENTP can perform this task easily, a decoder-only Transformer cannot. Finally, we empirically demonstrate ENTP's superior performance across various realistic tasks, such as length generalization and in-context learning.

This paper presents Diffusion Forcing, a new training paradigm where a diffusion model is trained to denoise a set of tokens with independent per-token noise levels. We apply Diffusion Forcing to sequence generative modeling by training a causal next-token prediction model to generate one or several future tokens without fully diffusing past ones. Our approach is shown to combine the strengths of next-token prediction models, such as variable-length generation, with the strengths of full-sequence diffusion models, such as the ability to guide sampling to desirable trajectories. Our method offers a range of additional capabilities, such as (1) rolling-out sequences of continuous tokens, such as video, with lengths past the training horizon, where baselines diverge and (2) new sampling and guiding schemes that uniquely profit from Diffusion Forcing's variable-horizon and causal architecture, and which lead to marked performance gains in decision-making and planning tasks. In addition to its empirical success, our method is proven to optimize a variational lower bound on the likelihoods of all subsequences of tokens drawn from the true joint distribution. Project website: https://boyuan.space/diffusion-forcing/

We develop a method for generating causal post-hoc explanations of black-box classifiers based on a learned low-dimensional representation of the data. The explanation is causal in the sense that changing learned latent factors produces a change in the classifier output statistics. To construct these explanations, we design a learning framework that leverages a generative model and information-theoretic measures of causal influence. Our objective function encourages both the generative model to faithfully represent the data distribution and the latent factors to have a large causal influence on the classifier output. Our method learns both global and local explanations, is compatible with any classifier that admits class probabilities and a gradient, and does not require labeled attributes or knowledge of causal structure. Using carefully controlled test cases, we provide intuition that illuminates the function of our objective. We then demonstrate the practical utility of our method on image recognition tasks.

Large Language Models (LLMs) have recently shown great promise in planning and reasoning applications. These tasks demand robust systems, which arguably require a causal understanding of the environment. While LLMs can acquire and reflect common sense causal knowledge from their pretraining data, this information is often incomplete, incorrect, or inapplicable to a specific environment. In contrast, causal representation learning (CRL) focuses on identifying the underlying causal structure within a given environment. We propose a framework that integrates CRLs with LLMs to enable causally-aware reasoning and planning. This framework learns a causal world model, with causal variables linked to natural language expressions. This mapping provides LLMs with a flexible interface to process and generate descriptions of actions and states in text form. Effectively, the causal world model acts as a simulator that the LLM can query and interact with. We evaluate the framework on causal inference and planning tasks across temporal scales and environmental complexities. Our experiments demonstrate the effectiveness of the approach, with the causally-aware method outperforming LLM-based reasoners, especially for longer planning horizons.

We introduce LMCodec, a causal neural speech codec that provides high quality audio at very low bitrates. The backbone of the system is a causal convolutional codec that encodes audio into a hierarchy of coarse-to-fine tokens using residual vector quantization. LMCodec trains a Transformer language model to predict the fine tokens from the coarse ones in a generative fashion, allowing for the transmission of fewer codes. A second Transformer predicts the uncertainty of the next codes given the past transmitted codes, and is used to perform conditional entropy coding. A MUSHRA subjective test was conducted and shows that the quality is comparable to reference codecs at higher bitrates. Example audio is available at https://mjenrungrot.github.io/chrome-media-audio-papers/publications/lmcodec.

Predicting simple function classes has been widely used as a testbed for developing theory and understanding of the trained Transformer's in-context learning (ICL) ability. In this paper, we revisit the training of Transformers on linear regression tasks, and different from all the existing literature, we consider a bi-objective prediction task of predicting both the conditional expectation E[Y|X] and the conditional variance Var(Y|X). This additional uncertainty quantification objective provides a handle to (i) better design out-of-distribution experiments to distinguish ICL from in-weight learning (IWL) and (ii) make a better separation between the algorithms with and without using the prior information of the training distribution. Theoretically, we show that the trained Transformer reaches near Bayes-optimum, suggesting the usage of the information of the training distribution. Our method can be extended to other cases. Specifically, with the Transformer's context window S, we prove a generalization bound of mathcal{O}(min{S, T/(n T)}) on n tasks with sequences of length T, providing sharper analysis compared to previous results of mathcal{O}(1/n). Empirically, we illustrate that while the trained Transformer behaves as the Bayes-optimal solution as a natural consequence of supervised training in distribution, it does not necessarily perform a Bayesian inference when facing task shifts, in contrast to the equivalence between these two proposed in many existing literature. We also demonstrate the trained Transformer's ICL ability over covariates shift and prompt-length shift and interpret them as a generalization over a meta distribution.

Continual Learning for Named Entity Recognition (CL-NER) aims to learn a growing number of entity types over time from a stream of data. However, simply learning Other-Class in the same way as new entity types amplifies the catastrophic forgetting and leads to a substantial performance drop. The main cause behind this is that Other-Class samples usually contain old entity types, and the old knowledge in these Other-Class samples is not preserved properly. Thanks to the causal inference, we identify that the forgetting is caused by the missing causal effect from the old data. To this end, we propose a unified causal framework to retrieve the causality from both new entity types and Other-Class. Furthermore, we apply curriculum learning to mitigate the impact of label noise and introduce a self-adaptive weight for balancing the causal effects between new entity types and Other-Class. Experimental results on three benchmark datasets show that our method outperforms the state-of-the-art method by a large margin. Moreover, our method can be combined with the existing state-of-the-art methods to improve the performance in CL-NER

We present Video Pre-trained Transformer. VPT uses four SOTA encoder models from prior work to convert a video into a sequence of compact embeddings. Our backbone, based on a reference Flan-T5-11B architecture, learns a universal representation of the video that is a non-linear sum of the encoder models. It learns using an autoregressive causal language modeling loss by predicting the words spoken in YouTube videos. Finally, we evaluate on standard downstream benchmarks by training fully connected prediction heads for each task. To the best of our knowledge, this is the first use of multiple frozen SOTA models as encoders in an "embedding -> backbone -> prediction head" design pattern - all others have trained their own joint encoder models. Additionally, we include more modalities than the current SOTA, Merlot Reserve, by adding explicit Scene Graph information. For these two reasons, we believe it could combine the world's best open-source models to achieve SOTA performance. Initial experiments demonstrate the model is learning appropriately, but more experimentation and compute is necessary, and already in progress, to realize our loftier goals. Alongside this work, we build on the YT-20M dataset, reproducing it and adding 25,000 personally selected YouTube videos to its corpus. All code and model checkpoints are open sourced under a standard MIT license.

Mixture models arise in many regression problems, but most methods have seen limited adoption partly due to these algorithms' highly-tailored and model-specific nature. On the other hand, transformers are flexible, neural sequence models that present the intriguing possibility of providing general-purpose prediction methods, even in this mixture setting. In this work, we investigate the hypothesis that transformers can learn an optimal predictor for mixtures of regressions. We construct a generative process for a mixture of linear regressions for which the decision-theoretic optimal procedure is given by data-driven exponential weights on a finite set of parameters. We observe that transformers achieve low mean-squared error on data generated via this process. By probing the transformer's output at inference time, we also show that transformers typically make predictions that are close to the optimal predictor. Our experiments also demonstrate that transformers can learn mixtures of regressions in a sample-efficient fashion and are somewhat robust to distribution shifts. We complement our experimental observations by proving constructively that the decision-theoretic optimal procedure is indeed implementable by a transformer.

Diffusion probabilistic models (DPMs) have become the state-of-the-art in high-quality image generation. However, DPMs have an arbitrary noisy latent space with no interpretable or controllable semantics. Although there has been significant research effort to improve image sample quality, there is little work on representation-controlled generation using diffusion models. Specifically, causal modeling and controllable counterfactual generation using DPMs is an underexplored area. In this work, we propose CausalDiffAE, a diffusion-based causal representation learning framework to enable counterfactual generation according to a specified causal model. Our key idea is to use an encoder to extract high-level semantically meaningful causal variables from high-dimensional data and model stochastic variation using reverse diffusion. We propose a causal encoding mechanism that maps high-dimensional data to causally related latent factors and parameterize the causal mechanisms among latent factors using neural networks. To enforce the disentanglement of causal variables, we formulate a variational objective and leverage auxiliary label information in a prior to regularize the latent space. We propose a DDIM-based counterfactual generation procedure subject to do-interventions. Finally, to address the limited label supervision scenario, we also study the application of CausalDiffAE when a part of the training data is unlabeled, which also enables granular control over the strength of interventions in generating counterfactuals during inference. We empirically show that CausalDiffAE learns a disentangled latent space and is capable of generating high-quality counterfactual images.

Machine learning models are increasingly being scaled in both sequence length and model dimension to reach longer contexts and better performance. However, existing architectures such as Transformers scale quadratically along both these axes. We ask: are there performant architectures that can scale sub-quadratically along sequence length and model dimension? We introduce Monarch Mixer (M2), a new architecture that uses the same sub-quadratic primitive along both sequence length and model dimension: Monarch matrices, a simple class of expressive structured matrices that captures many linear transforms, achieves high hardware efficiency on GPUs, and scales sub-quadratically. As a proof of concept, we explore the performance of M2 in three domains: non-causal BERT-style language modeling, ViT-style image classification, and causal GPT-style language modeling. For non-causal BERT-style modeling, M2 matches BERT-base and BERT-large in downstream GLUE quality with up to 27% fewer parameters, and achieves up to 9.1times higher throughput at sequence length 4K. On ImageNet, M2 outperforms ViT-b by 1% in accuracy, with only half the parameters. Causal GPT-style models introduce a technical challenge: enforcing causality via masking introduces a quadratic bottleneck. To alleviate this bottleneck, we develop a novel theoretical view of Monarch matrices based on multivariate polynomial evaluation and interpolation, which lets us parameterize M2 to be causal while remaining sub-quadratic. Using this parameterization, M2 matches GPT-style Transformers at 360M parameters in pretraining perplexity on The PILE--showing for the first time that it may be possible to match Transformer quality without attention or MLPs.

We introduce generative infinite-vocabulary transformers (GIVT) which generate vector sequences with real-valued entries, instead of discrete tokens from a finite vocabulary. To this end, we propose two surprisingly simple modifications to decoder-only transformers: 1) at the input, we replace the finite-vocabulary lookup table with a linear projection of the input vectors; and 2) at the output, we replace the logits prediction (usually mapped to a categorical distribution) with the parameters of a multivariate Gaussian mixture model. Inspired by the image-generation paradigm of VQ-GAN and MaskGIT, where transformers are used to model the discrete latent sequences of a VQ-VAE, we use GIVT to model the unquantized real-valued latent sequences of a VAE. When applying GIVT to class-conditional image generation with iterative masked modeling, we show competitive results with MaskGIT, while our approach outperforms both VQ-GAN and MaskGIT when using it for causal modeling. Finally, we obtain competitive results outside of image generation when applying our approach to panoptic segmentation and depth estimation with a VAE-based variant of the UViM framework.

Attention-based neural networks such as transformers have demonstrated a remarkable ability to exhibit in-context learning (ICL): Given a short prompt sequence of tokens from an unseen task, they can formulate relevant per-token and next-token predictions without any parameter updates. By embedding a sequence of labeled training data and unlabeled test data as a prompt, this allows for transformers to behave like supervised learning algorithms. Indeed, recent work has shown that when training transformer architectures over random instances of linear regression problems, these models' predictions mimic those of ordinary least squares. Towards understanding the mechanisms underlying this phenomenon, we investigate the dynamics of ICL in transformers with a single linear self-attention layer trained by gradient flow on linear regression tasks. We show that despite non-convexity, gradient flow with a suitable random initialization finds a global minimum of the objective function. At this global minimum, when given a test prompt of labeled examples from a new prediction task, the transformer achieves prediction error competitive with the best linear predictor over the test prompt distribution. We additionally characterize the robustness of the trained transformer to a variety of distribution shifts and show that although a number of shifts are tolerated, shifts in the covariate distribution of the prompts are not. Motivated by this, we consider a generalized ICL setting where the covariate distributions can vary across prompts. We show that although gradient flow succeeds at finding a global minimum in this setting, the trained transformer is still brittle under mild covariate shifts. We complement this finding with experiments on large, nonlinear transformer architectures which we show are more robust under covariate shifts.

We present Timer-XL, a generative Transformer for unified time series forecasting. To uniformly predict 1D and 2D time series, we generalize next token prediction, predominantly adopted for causal generation of 1D sequences, to multivariate next token prediction. The proposed paradigm uniformly formulates various forecasting scenarios as a long-context generation problem. We opt for the generative Transformer, which can capture global-range and causal dependencies while providing contextual flexibility, to implement unified forecasting on univariate series characterized by non-stationarity, multivariate time series with complicated dynamics and correlations, and covariate-informed contexts that include both endogenous and exogenous variables. Technically, we propose a universal TimeAttention to facilitate generative Transformers on time series, which can effectively capture fine-grained intra- and inter-series dependencies of flattened time series tokens (patches) and is further strengthened by position embeddings in both temporal and variable dimensions. Timer-XL achieves state-of-the-art performance across challenging forecasting benchmarks through a unified approach. As a large time series model, it demonstrates notable model transferability by large-scale pre-training, as well as contextual flexibility in token lengths, positioning it as a one-for-all forecaster.

Most language model pre-training frameworks concatenate multiple documents into fixed-length sequences and use causal masking to compute the likelihood of each token given its context; this strategy is widely adopted due to its simplicity and efficiency. However, to this day, the influence of the pre-training sequence composition strategy on the generalisation properties of the model remains under-explored. In this work, we find that applying causal masking can lead to the inclusion of distracting information from previous documents during pre-training, which negatively impacts the performance of the models on language modelling and downstream tasks. In intra-document causal masking, the likelihood of each token is only conditioned on the previous tokens in the same document, eliminating potential distracting information from previous documents and significantly improving performance. Furthermore, we find that concatenating related documents can reduce some potential distractions during pre-training, and our proposed efficient retrieval-based sequence construction method, BM25Chunk, can improve in-context learning (+11.6\%), knowledge memorisation (+9.8\%), and context utilisation (+7.2\%) abilities of language models without sacrificing efficiency.

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.

This paper explores the in-context learning capabilities of masked language models, challenging the common view that this ability does not 'emerge' in them. We present an embarrassingly simple inference technique that enables DeBERTa to operate as a generative model without any additional training. Our findings demonstrate that DeBERTa can match and even surpass GPT-3, its contemporary that famously introduced the paradigm of in-context learning. The comparative analysis reveals that the masked and causal language models behave very differently, as they clearly outperform each other on different categories of tasks. This suggests that there is great potential for a hybrid training approach that takes advantage of the strengths of both training objectives.

We present W.A.L.T, a transformer-based approach for photorealistic video generation via diffusion modeling. Our approach has two key design decisions. First, we use a causal encoder to jointly compress images and videos within a unified latent space, enabling training and generation across modalities. Second, for memory and training efficiency, we use a window attention architecture tailored for joint spatial and spatiotemporal generative modeling. Taken together these design decisions enable us to achieve state-of-the-art performance on established video (UCF-101 and Kinetics-600) and image (ImageNet) generation benchmarks without using classifier free guidance. Finally, we also train a cascade of three models for the task of text-to-video generation consisting of a base latent video diffusion model, and two video super-resolution diffusion models to generate videos of 512 times 896 resolution at 8 frames per second.

At present, the mechanisms of in-context learning in Transformers are not well understood and remain mostly an intuition. In this paper, we suggest that training Transformers on auto-regressive objectives is closely related to gradient-based meta-learning formulations. We start by providing a simple weight construction that shows the equivalence of data transformations induced by 1) a single linear self-attention layer and by 2) gradient-descent (GD) on a regression loss. Motivated by that construction, we show empirically that when training self-attention-only Transformers on simple regression tasks either the models learned by GD and Transformers show great similarity or, remarkably, the weights found by optimization match the construction. Thus we show how trained Transformers become mesa-optimizers i.e. learn models by gradient descent in their forward pass. This allows us, at least in the domain of regression problems, to mechanistically understand the inner workings of in-context learning in optimized Transformers. Building on this insight, we furthermore identify how Transformers surpass the performance of plain gradient descent by learning an iterative curvature correction and learn linear models on deep data representations to solve non-linear regression tasks. Finally, we discuss intriguing parallels to a mechanism identified to be crucial for in-context learning termed induction-head (Olsson et al., 2022) and show how it could be understood as a specific case of in-context learning by gradient descent learning within Transformers. Code to reproduce the experiments can be found at https://github.com/google-research/self-organising-systems/tree/master/transformers_learn_icl_by_gd .

Language models generate responses by producing a series of tokens in immediate succession: the (K+1)^{th} token is an outcome of manipulating K hidden vectors per layer, one vector per preceding token. What if instead we were to let the model manipulate say, K+10 hidden vectors, before it outputs the (K+1)^{th} token? We operationalize this idea by performing training and inference on language models with a (learnable) pause token, a sequence of which is appended to the input prefix. We then delay extracting the model's outputs until the last pause token is seen, thereby allowing the model to process extra computation before committing to an answer. We empirically evaluate pause-training on decoder-only models of 1B and 130M parameters with causal pretraining on C4, and on downstream tasks covering reasoning, question-answering, general understanding and fact recall. Our main finding is that inference-time delays show gains when the model is both pre-trained and finetuned with delays. For the 1B model, we witness gains on 8 of 9 tasks, most prominently, a gain of 18% EM score on the QA task of SQuAD, 8% on CommonSenseQA and 1% accuracy on the reasoning task of GSM8k. Our work raises a range of conceptual and practical future research questions on making delayed next-token prediction a widely applicable new paradigm.

Causal Language Modeling (CLM) and Masked Language Modeling (MLM) are two mainstream learning paradigms based on Transformer networks, specifically the Decoder-only and Encoder-only architectures. The strengths of each paradigm in downstream tasks have shown a mix of advantages and disadvantages. In the past BabyLM Challenge 2023, although the MLM paradigm achieved the best average performance, the CLM paradigm demonstrated significantly faster convergence rates. For the BabyLM Challenge 2024, we propose a novel language modeling paradigm named AntLM, which integrates both CLM and MLM to leverage the advantages of these two classic paradigms. We chose the strict-small track and conducted experiments on two foundation models: BabyLlama, representing CLM, and LTG-BERT, representing MLM. During the training process for specific foundation models, we alternate between applying CLM or MLM training objectives and causal or bidirectional attention masks. Experimental results show that combining the two pretraining objectives leverages their strengths, enhancing overall training performance. Under the same epochs, AntLM_{BabyLlama} improves Macro-average by 1%, and AntLM_{LTG-BERT} achieves a 2.2% increase over the baselines.

The time complexity of the standard attention mechanism in a transformer scales quadratically with the length of the sequence. We introduce a method to reduce this to linear scaling with time, based on defining attention via latent vectors. The method is readily usable as a drop-in replacement for the standard attention mechanism. Our "Latte Transformer" model can be implemented for both bidirectional and unidirectional tasks, with the causal version allowing a recurrent implementation which is memory and time-efficient during inference of language generation tasks. Whilst next token prediction scales linearly with the sequence length for a standard transformer, a Latte Transformer requires constant time to compute the next token. The empirical performance of our method is comparable to standard attention, yet allows scaling to context windows much larger than practical in standard attention.

The recent boom of linear forecasting models questions the ongoing passion for architectural modifications of Transformer-based forecasters. These forecasters leverage Transformers to model the global dependencies over temporal tokens of time series, with each token formed by multiple variates of the same timestamp. However, Transformers are challenged in forecasting series with larger lookback windows due to performance degradation and computation explosion. Besides, the embedding for each temporal token fuses multiple variates that represent potential delayed events and distinct physical measurements, which may fail in learning variate-centric representations and result in meaningless attention maps. In this work, we reflect on the competent duties of Transformer components and repurpose the Transformer architecture without any modification to the basic components. We propose iTransformer that simply applies the attention and feed-forward network on the inverted dimensions. Specifically, the time points of individual series are embedded into variate tokens which are utilized by the attention mechanism to capture multivariate correlations; meanwhile, the feed-forward network is applied for each variate token to learn nonlinear representations. The iTransformer model achieves state-of-the-art on challenging real-world datasets, which further empowers the Transformer family with promoted performance, generalization ability across different variates, and better utilization of arbitrary lookback windows, making it a nice alternative as the fundamental backbone of time series forecasting. Code is available at this repository: https://github.com/thuml/iTransformer.

Causal representation learning has showed a variety of settings in which we can disentangle latent variables with identifiability guarantees (up to some reasonable equivalence class). Common to all of these approaches is the assumption that (1) the latent variables are represented as d-dimensional vectors, and (2) that the observations are the output of some injective generative function of these latent variables. While these assumptions appear benign, we show that when the observations are of multiple objects, the generative function is no longer injective and disentanglement fails in practice. We can address this failure by combining recent developments in object-centric learning and causal representation learning. By modifying the Slot Attention architecture arXiv:2006.15055, we develop an object-centric architecture that leverages weak supervision from sparse perturbations to disentangle each object's properties. This approach is more data-efficient in the sense that it requires significantly fewer perturbations than a comparable approach that encodes to a Euclidean space and we show that this approach successfully disentangles the properties of a set of objects in a series of simple image-based disentanglement experiments.

We introduce a framework that abstracts Reinforcement Learning (RL) as a sequence modeling problem. This allows us to draw upon the simplicity and scalability of the Transformer architecture, and associated advances in language modeling such as GPT-x and BERT. In particular, we present Decision Transformer, an architecture that casts the problem of RL as conditional sequence modeling. Unlike prior approaches to RL that fit value functions or compute policy gradients, Decision Transformer simply outputs the optimal actions by leveraging a causally masked Transformer. By conditioning an autoregressive model on the desired return (reward), past states, and actions, our Decision Transformer model can generate future actions that achieve the desired return. Despite its simplicity, Decision Transformer matches or exceeds the performance of state-of-the-art model-free offline RL baselines on Atari, OpenAI Gym, and Key-to-Door tasks.

We analyze the storage and recall of factual associations in autoregressive transformer language models, finding evidence that these associations correspond to localized, directly-editable computations. We first develop a causal intervention for identifying neuron activations that are decisive in a model's factual predictions. This reveals a distinct set of steps in middle-layer feed-forward modules that mediate factual predictions while processing subject tokens. To test our hypothesis that these computations correspond to factual association recall, we modify feed-forward weights to update specific factual associations using Rank-One Model Editing (ROME). We find that ROME is effective on a standard zero-shot relation extraction (zsRE) model-editing task, comparable to existing methods. To perform a more sensitive evaluation, we also evaluate ROME on a new dataset of counterfactual assertions, on which it simultaneously maintains both specificity and generalization, whereas other methods sacrifice one or another. Our results confirm an important role for mid-layer feed-forward modules in storing factual associations and suggest that direct manipulation of computational mechanisms may be a feasible approach for model editing. The code, dataset, visualizations, and an interactive demo notebook are available at https://rome.baulab.info/

We propose an efficient design of Transformer-based models for multivariate time series forecasting and self-supervised representation learning. It is based on two key components: (i) segmentation of time series into subseries-level patches which are served as input tokens to Transformer; (ii) channel-independence where each channel contains a single univariate time series that shares the same embedding and Transformer weights across all the series. Patching design naturally has three-fold benefit: local semantic information is retained in the embedding; computation and memory usage of the attention maps are quadratically reduced given the same look-back window; and the model can attend longer history. Our channel-independent patch time series Transformer (PatchTST) can improve the long-term forecasting accuracy significantly when compared with that of SOTA Transformer-based models. We also apply our model to self-supervised pre-training tasks and attain excellent fine-tuning performance, which outperforms supervised training on large datasets. Transferring of masked pre-trained representation on one dataset to others also produces SOTA forecasting accuracy. Code is available at: https://github.com/yuqinie98/PatchTST.

Large transformer models pretrained on offline reinforcement learning datasets have demonstrated remarkable in-context reinforcement learning (ICRL) capabilities, where they can make good decisions when prompted with interaction trajectories from unseen environments. However, when and how transformers can be trained to perform ICRL have not been theoretically well-understood. In particular, it is unclear which reinforcement-learning algorithms transformers can perform in context, and how distribution mismatch in offline training data affects the learned algorithms. This paper provides a theoretical framework that analyzes supervised pretraining for ICRL. This includes two recently proposed training methods -- algorithm distillation and decision-pretrained transformers. First, assuming model realizability, we prove the supervised-pretrained transformer will imitate the conditional expectation of the expert algorithm given the observed trajectory. The generalization error will scale with model capacity and a distribution divergence factor between the expert and offline algorithms. Second, we show transformers with ReLU attention can efficiently approximate near-optimal online reinforcement learning algorithms like LinUCB and Thompson sampling for stochastic linear bandits, and UCB-VI for tabular Markov decision processes. This provides the first quantitative analysis of the ICRL capabilities of transformers pretrained from offline trajectories.

In order to understand the in-context learning phenomenon, recent works have adopted a stylized experimental framework and demonstrated that Transformers can learn gradient-based learning algorithms for various classes of real-valued functions. However, the limitations of Transformers in implementing learning algorithms, and their ability to learn other forms of algorithms are not well understood. Additionally, the degree to which these capabilities are confined to attention-based models is unclear. Furthermore, it remains to be seen whether the insights derived from these stylized settings can be extrapolated to pretrained Large Language Models (LLMs). In this work, we take a step towards answering these questions by demonstrating the following: (a) On a test-bed with a variety of Boolean function classes, we find that Transformers can nearly match the optimal learning algorithm for 'simpler' tasks, while their performance deteriorates on more 'complex' tasks. Additionally, we find that certain attention-free models perform (almost) identically to Transformers on a range of tasks. (b) When provided a teaching sequence, i.e. a set of examples that uniquely identifies a function in a class, we show that Transformers learn more sample-efficiently. Interestingly, our results show that Transformers can learn to implement two distinct algorithms to solve a single task, and can adaptively select the more sample-efficient algorithm depending on the sequence of in-context examples. (c) Lastly, we show that extant LLMs, e.g. LLaMA-2, GPT-4, can compete with nearest-neighbor baselines on prediction tasks that are guaranteed to not be in their training set.

Transformer models, notably large language models (LLMs), have the remarkable ability to perform in-context learning (ICL) -- to perform new tasks when prompted with unseen input-output examples without any explicit model training. In this work, we study how effectively transformers can bridge between their pretraining data mixture, comprised of multiple distinct task families, to identify and learn new tasks in-context which are both inside and outside the pretraining distribution. Building on previous work, we investigate this question in a controlled setting, where we study transformer models trained on sequences of (x, f(x)) pairs rather than natural language. Our empirical results show transformers demonstrate near-optimal unsupervised model selection capabilities, in their ability to first in-context identify different task families and in-context learn within them when the task families are well-represented in their pretraining data. However when presented with tasks or functions which are out-of-domain of their pretraining data, we demonstrate various failure modes of transformers and degradation of their generalization for even simple extrapolation tasks. Together our results highlight that the impressive ICL abilities of high-capacity sequence models may be more closely tied to the coverage of their pretraining data mixtures than inductive biases that create fundamental generalization capabilities.

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.

Learning behavioral patterns from observational data has been a de-facto approach to motion forecasting. Yet, the current paradigm suffers from two shortcomings: brittle under distribution shifts and inefficient for knowledge transfer. In this work, we propose to address these challenges from a causal representation perspective. We first introduce a causal formalism of motion forecasting, which casts the problem as a dynamic process with three groups of latent variables, namely invariant variables, style confounders, and spurious features. We then introduce a learning framework that treats each group separately: (i) unlike the common practice mixing datasets collected from different locations, we exploit their subtle distinctions by means of an invariance loss encouraging the model to suppress spurious correlations; (ii) we devise a modular architecture that factorizes the representations of invariant mechanisms and style confounders to approximate a sparse causal graph; (iii) we introduce a style contrastive loss that not only enforces the structure of style representations but also serves as a self-supervisory signal for test-time refinement on the fly. Experiments on synthetic and real datasets show that our proposed method improves the robustness and reusability of learned motion representations, significantly outperforming prior state-of-the-art motion forecasting models for out-of-distribution generalization and low-shot transfer.

Text-to-Image Diffusion Models such as Stable-Diffusion and Imagen have achieved unprecedented quality of photorealism with state-of-the-art FID scores on MS-COCO and other generation benchmarks. Given a caption, image generation requires fine-grained knowledge about attributes such as object structure, style, and viewpoint amongst others. Where does this information reside in text-to-image generative models? In our paper, we tackle this question and understand how knowledge corresponding to distinct visual attributes is stored in large-scale text-to-image diffusion models. We adapt Causal Mediation Analysis for text-to-image models and trace knowledge about distinct visual attributes to various (causal) components in the (i) UNet and (ii) text-encoder of the diffusion model. In particular, we show that unlike generative large-language models, knowledge about different attributes is not localized in isolated components, but is instead distributed amongst a set of components in the conditional UNet. These sets of components are often distinct for different visual attributes. Remarkably, we find that the CLIP text-encoder in public text-to-image models such as Stable-Diffusion contains only one causal state across different visual attributes, and this is the first self-attention layer corresponding to the last subject token of the attribute in the caption. This is in stark contrast to the causal states in other language models which are often the mid-MLP layers. Based on this observation of only one causal state in the text-encoder, we introduce a fast, data-free model editing method Diff-QuickFix which can effectively edit concepts in text-to-image models. DiffQuickFix can edit (ablate) concepts in under a second with a closed-form update, providing a significant 1000x speedup and comparable editing performance to existing fine-tuning based editing methods.

We perform an effective-theory analysis of forward-backward signal propagation in wide and deep Transformers, i.e., residual neural networks with multi-head self-attention blocks and multilayer perceptron blocks. This analysis suggests particular width scalings of initialization and training hyperparameters for these models. We then take up such suggestions, training Vision and Language Transformers in practical setups.

Interpreting the inner function of neural networks is crucial for the trustworthy development and deployment of these black-box models. Prior interpretability methods focus on correlation-based measures to attribute model decisions to individual examples. However, these measures are susceptible to noise and spurious correlations encoded in the model during the training phase (e.g., biased inputs, model overfitting, or misspecification). Moreover, this process has proven to result in noisy and unstable attributions that prevent any transparent understanding of the model's behavior. In this paper, we develop a robust interventional-based method grounded by causal analysis to capture cause-effect mechanisms in pre-trained neural networks and their relation to the prediction. Our novel approach relies on path interventions to infer the causal mechanisms within hidden layers and isolate relevant and necessary information (to model prediction), avoiding noisy ones. The result is task-specific causal explanatory graphs that can audit model behavior and express the actual causes underlying its performance. We apply our method to vision models trained on classification tasks. On image classification tasks, we provide extensive quantitative experiments to show that our approach can capture more stable and faithful explanations than standard attribution-based methods. Furthermore, the underlying causal graphs reveal the neural interactions in the model, making it a valuable tool in other applications (e.g., model repair).

Training large transformer models from scratch for a target task requires lots of data and is computationally demanding. The usual practice of transfer learning overcomes this challenge by initializing the model with weights of a pretrained model of the same size and specification to increase the convergence and training speed. However, what if no pretrained model of the required size is available? In this paper, we introduce a simple yet effective technique to transfer the knowledge of a pretrained model to smaller variants. Our approach called weight subcloning expedites the training of scaled-down transformers by initializing their weights from larger pretrained models. Weight subcloning involves an operation on the pretrained model to obtain the equivalent initialized scaled-down model. It consists of two key steps: first, we introduce neuron importance ranking to decrease the embedding dimension per layer in the pretrained model. Then, we remove blocks from the transformer model to match the number of layers in the scaled-down network. The result is a network ready to undergo training, which gains significant improvements in training speed compared to random initialization. For instance, we achieve 4x faster training for vision transformers in image classification and language models designed for next token prediction.

The ability of deep neural networks to continually learn and adapt to a sequence of tasks has remained challenging due to catastrophic forgetting of previously learned tasks. Humans, on the other hand, have a remarkable ability to acquire, assimilate, and transfer knowledge across tasks throughout their lifetime without catastrophic forgetting. The versatility of the brain can be attributed to the rehearsal of abstract experiences through a complementary learning system. However, representation rehearsal in vision transformers lacks diversity, resulting in overfitting and consequently, performance drops significantly compared to raw image rehearsal. Therefore, we propose BiRT, a novel representation rehearsal-based continual learning approach using vision transformers. Specifically, we introduce constructive noises at various stages of the vision transformer and enforce consistency in predictions with respect to an exponential moving average of the working model. Our method provides consistent performance gain over raw image and vanilla representation rehearsal on several challenging CL benchmarks, while being memory efficient and robust to natural and adversarial corruptions.

Audio-visual large language models (LLM) have drawn significant attention, yet the fine-grained combination of both input streams is rather under-explored, which is challenging but necessary for LLMs to understand general video inputs. To this end, a fine-grained audio-visual joint representation (FAVOR) learning framework for multimodal LLMs is proposed in this paper, which extends a text-based LLM to simultaneously perceive speech and audio events in the audio input stream and images or videos in the visual input stream, at the frame level. To fuse the audio and visual feature streams into joint representations and to align the joint space with the LLM input embedding space, we propose a causal Q-Former structure with a causal attention module to enhance the capture of causal relations of the audio-visual frames across time. An audio-visual evaluation benchmark (AVEB) is also proposed which comprises six representative single-modal tasks with five cross-modal tasks reflecting audio-visual co-reasoning abilities. While achieving competitive single-modal performance on audio, speech and image tasks in AVEB, FAVOR achieved over 20% accuracy improvements on the video question-answering task when fine-grained information or temporal causal reasoning is required. FAVOR, in addition, demonstrated remarkable video comprehension and reasoning abilities on tasks that are unprecedented by other multimodal LLMs. An interactive demo of FAVOR is available at https://github.com/BriansIDP/AudioVisualLLM.git, and the training code and model checkpoints will be released soon.

Humans distill complex experiences into fundamental abstractions that enable rapid learning and adaptation. Similarly, autoregressive transformers exhibit adaptive learning through in-context learning (ICL), which begs the question of how. In this paper, we propose concept encoding-decoding mechanism to explain ICL by studying how transformers form and use internal abstractions in their representations. On synthetic ICL tasks, we analyze the training dynamics of a small transformer and report the coupled emergence of concept encoding and decoding. As the model learns to encode different latent concepts (e.g., ``Finding the first noun in a sentence.") into distinct, separable representations, it concureently builds conditional decoding algorithms and improve its ICL performance. We validate the existence of this mechanism across pretrained models of varying scales (Gemma-2 2B/9B/27B, Llama-3.1 8B/70B). Further, through mechanistic interventions and controlled finetuning, we demonstrate that the quality of concept encoding is causally related and predictive of ICL performance. Our empirical insights shed light into better understanding the success and failure modes of large language models via their representations.

Designed to learn long-range interactions on sequential data, transformers continue to show state-of-the-art results on a wide variety of tasks. In contrast to CNNs, they contain no inductive bias that prioritizes local interactions. This makes them expressive, but also computationally infeasible for long sequences, such as high-resolution images. We demonstrate how combining the effectiveness of the inductive bias of CNNs with the expressivity of transformers enables them to model and thereby synthesize high-resolution images. We show how to (i) use CNNs to learn a context-rich vocabulary of image constituents, and in turn (ii) utilize transformers to efficiently model their composition within high-resolution images. Our approach is readily applied to conditional synthesis tasks, where both non-spatial information, such as object classes, and spatial information, such as segmentations, can control the generated image. In particular, we present the first results on semantically-guided synthesis of megapixel images with transformers and obtain the state of the art among autoregressive models on class-conditional ImageNet. Code and pretrained models can be found at https://github.com/CompVis/taming-transformers .

Transformer neural networks can exhibit a surprising capacity for in-context learning (ICL) despite not being explicitly trained for it. Prior work has provided a deeper understanding of how ICL emerges in transformers, e.g. through the lens of mechanistic interpretability, Bayesian inference, or by examining the distributional properties of training data. However, in each of these cases, ICL is treated largely as a persistent phenomenon; namely, once ICL emerges, it is assumed to persist asymptotically. Here, we show that the emergence of ICL during transformer training is, in fact, often transient. We train transformers on synthetic data designed so that both ICL and in-weights learning (IWL) strategies can lead to correct predictions. We find that ICL first emerges, then disappears and gives way to IWL, all while the training loss decreases, indicating an asymptotic preference for IWL. The transient nature of ICL is observed in transformers across a range of model sizes and datasets, raising the question of how much to "overtrain" transformers when seeking compact, cheaper-to-run models. We find that L2 regularization may offer a path to more persistent ICL that removes the need for early stopping based on ICL-style validation tasks. Finally, we present initial evidence that ICL transience may be caused by competition between ICL and IWL circuits.

We conjecture that hidden state vectors corresponding to individual input tokens encode information sufficient to accurately predict several tokens ahead. More concretely, in this paper we ask: Given a hidden (internal) representation of a single token at position t in an input, can we reliably anticipate the tokens that will appear at positions geq t + 2? To test this, we measure linear approximation and causal intervention methods in GPT-J-6B to evaluate the degree to which individual hidden states in the network contain signal rich enough to predict future hidden states and, ultimately, token outputs. We find that, at some layers, we can approximate a model's output with more than 48% accuracy with respect to its prediction of subsequent tokens through a single hidden state. Finally we present a "Future Lens" visualization that uses these methods to create a new view of transformer states.

The recent phenomenal success of language models has reinvigorated machine learning research, and large sequence models such as transformers are being applied to a variety of domains. One important problem class that has remained relatively elusive however is purposeful adaptive behavior. Currently there is a common perception that sequence models "lack the understanding of the cause and effect of their actions" leading them to draw incorrect inferences due to auto-suggestive delusions. In this report we explain where this mismatch originates, and show that it can be resolved by treating actions as causal interventions. Finally, we show that in supervised learning, one can teach a system to condition or intervene on data by training with factual and counterfactual error signals respectively.

Neural sequence models, especially transformers, exhibit a remarkable capacity for in-context learning. They can construct new predictors from sequences of labeled examples (x, f(x)) presented in the input without further parameter updates. We investigate the hypothesis that transformer-based in-context learners implement standard learning algorithms implicitly, by encoding smaller models in their activations, and updating these implicit models as new examples appear in the context. Using linear regression as a prototypical problem, we offer three sources of evidence for this hypothesis. First, we prove by construction that transformers can implement learning algorithms for linear models based on gradient descent and closed-form ridge regression. Second, we show that trained in-context learners closely match the predictors computed by gradient descent, ridge regression, and exact least-squares regression, transitioning between different predictors as transformer depth and dataset noise vary, and converging to Bayesian estimators for large widths and depths. Third, we present preliminary evidence that in-context learners share algorithmic features with these predictors: learners' late layers non-linearly encode weight vectors and moment matrices. These results suggest that in-context learning is understandable in algorithmic terms, and that (at least in the linear case) learners may rediscover standard estimation algorithms. Code and reference implementations are released at https://github.com/ekinakyurek/google-research/blob/master/incontext.

Language models (LMs) exhibit and amplify many types of undesirable biases learned from the training data, including gender bias. However, we lack tools for effectively and efficiently changing this behavior without hurting general language modeling performance. In this paper, we study three methods for identifying causal relations between LM components and particular output: causal mediation analysis, automated circuit discovery and our novel, efficient method called DiffMask+ based on differential masking. We apply the methods to GPT-2 small and the problem of gender bias, and use the discovered sets of components to perform parameter-efficient fine-tuning for bias mitigation. Our results show significant overlap in the identified components (despite huge differences in the computational requirements of the methods) as well as success in mitigating gender bias, with less damage to general language modeling compared to full model fine-tuning. However, our work also underscores the difficulty of defining and measuring bias, and the sensitivity of causal discovery procedures to dataset choice. We hope our work can contribute to more attention for dataset development, and lead to more effective mitigation strategies for other types of bias.

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.

Time-series causal discovery (TSCD) is a fundamental problem of machine learning. However, existing synthetic datasets cannot properly evaluate or predict the algorithms' performance on real data. This study introduces the CausalTime pipeline to generate time-series that highly resemble the real data and with ground truth causal graphs for quantitative performance evaluation. The pipeline starts from real observations in a specific scenario and produces a matching benchmark dataset. Firstly, we harness deep neural networks along with normalizing flow to accurately capture realistic dynamics. Secondly, we extract hypothesized causal graphs by performing importance analysis on the neural network or leveraging prior knowledge. Thirdly, we derive the ground truth causal graphs by splitting the causal model into causal term, residual term, and noise term. Lastly, using the fitted network and the derived causal graph, we generate corresponding versatile time-series proper for algorithm assessment. In the experiments, we validate the fidelity of the generated data through qualitative and quantitative experiments, followed by a benchmarking of existing TSCD algorithms using these generated datasets. CausalTime offers a feasible solution to evaluating TSCD algorithms in real applications and can be generalized to a wide range of fields. For easy use of the proposed approach, we also provide a user-friendly website, hosted on www.causaltime.cc.

We investigate the mechanisms of factual recall in the Mamba state space model. Our work is inspired by previous findings in autoregressive transformer language models suggesting that their knowledge recall is localized to particular modules at specific token locations; we therefore ask whether factual recall in Mamba can be similarly localized. To investigate this, we conduct four lines of experiments on Mamba. First, we apply causal tracing or interchange interventions to localize key components inside Mamba that are responsible for recalling facts, revealing that specific components within middle layers show strong causal effects at the last token of the subject, while the causal effect of intervening on later layers is most pronounced at the last token of the prompt, matching previous findings on autoregressive transformers. Second, we show that rank-one model editing methods can successfully insert facts at specific locations, again resembling findings on transformer models. Third, we examine the linearity of Mamba's representations of factual relations. Finally we adapt attention-knockout techniques to Mamba to dissect information flow during factual recall. We compare Mamba directly to a similar-sized transformer and conclude that despite significant differences in architectural approach, when it comes to factual recall, the two architectures share many similarities.

We present TabPFN, a trained Transformer that can do supervised classification for small tabular datasets in less than a second, needs no hyperparameter tuning and is competitive with state-of-the-art classification methods. TabPFN performs in-context learning (ICL), it learns to make predictions using sequences of labeled examples (x, f(x)) given in the input, without requiring further parameter updates. TabPFN is fully entailed in the weights of our network, which accepts training and test samples as a set-valued input and yields predictions for the entire test set in a single forward pass. TabPFN is a Prior-Data Fitted Network (PFN) and is trained offline once, to approximate Bayesian inference on synthetic datasets drawn from our prior. This prior incorporates ideas from causal reasoning: It entails a large space of structural causal models with a preference for simple structures. On the 18 datasets in the OpenML-CC18 suite that contain up to 1 000 training data points, up to 100 purely numerical features without missing values, and up to 10 classes, we show that our method clearly outperforms boosted trees and performs on par with complex state-of-the-art AutoML systems with up to 230times speedup. This increases to a 5 700times speedup when using a GPU. We also validate these results on an additional 67 small numerical datasets from OpenML. We provide all our code, the trained TabPFN, an interactive browser demo and a Colab notebook at https://github.com/automl/TabPFN.

In-context learning (ICL) is one of the most powerful and most unexpected capabilities to emerge in recent transformer-based large language models (LLMs). Yet the mechanisms that underlie it are poorly understood. In this paper, we demonstrate that comparable ICL capabilities can be acquired by an alternative sequence prediction learning method using clone-structured causal graphs (CSCGs). Moreover, a key property of CSCGs is that, unlike transformer-based LLMs, they are {\em interpretable}, which considerably simplifies the task of explaining how ICL works. Specifically, we show that it uses a combination of (a) learning template (schema) circuits for pattern completion, (b) retrieving relevant templates in a context-sensitive manner, and (c) rebinding of novel tokens to appropriate slots in the templates. We go on to marshall evidence for the hypothesis that similar mechanisms underlie ICL in LLMs. For example, we find that, with CSCGs as with LLMs, different capabilities emerge at different levels of overparameterization, suggesting that overparameterization helps in learning more complex template (schema) circuits. By showing how ICL can be achieved with small models and datasets, we open up a path to novel architectures, and take a vital step towards a more general understanding of the mechanics behind this important capability.

In this note we examine the autoregressive generalization of the FNet algorithm, in which self-attention layers from the standard Transformer architecture are substituted with a trivial sparse-uniformsampling procedure based on Fourier transforms. Using the Wikitext-103 benchmark, we demonstratethat FNetAR retains state-of-the-art performance (25.8 ppl) on the task of causal language modelingcompared to a Transformer-XL baseline (24.2 ppl) with only half the number self-attention layers,thus providing further evidence for the superfluity of deep neural networks with heavily compoundedattention mechanisms. The autoregressive Fourier transform could likely be used for parameterreduction on most Transformer-based time-series prediction models.

Transformers have demonstrated effectiveness in in-context solving data-fitting problems from various (latent) models, as reported by Garg et al. However, the absence of an inherent iterative structure in the transformer architecture presents a challenge in emulating the iterative algorithms, which are commonly employed in traditional machine learning methods. To address this, we propose the utilization of looped transformer architecture and its associated training methodology, with the aim of incorporating iterative characteristics into the transformer architectures. Experimental results suggest that the looped transformer achieves performance comparable to the standard transformer in solving various data-fitting problems, while utilizing less than 10\% of the parameter count.

Single domain generalization aims to learn a model from a single training domain (source domain) and apply it to multiple unseen test domains (target domains). Existing methods focus on expanding the distribution of the training domain to cover the target domains, but without estimating the domain shift between the source and target domains. In this paper, we propose a new learning paradigm, namely simulate-analyze-reduce, which first simulates the domain shift by building an auxiliary domain as the target domain, then learns to analyze the causes of domain shift, and finally learns to reduce the domain shift for model adaptation. Under this paradigm, we propose a meta-causal learning method to learn meta-knowledge, that is, how to infer the causes of domain shift between the auxiliary and source domains during training. We use the meta-knowledge to analyze the shift between the target and source domains during testing. Specifically, we perform multiple transformations on source data to generate the auxiliary domain, perform counterfactual inference to learn to discover the causal factors of the shift between the auxiliary and source domains, and incorporate the inferred causality into factor-aware domain alignments. Extensive experiments on several benchmarks of image classification show the effectiveness of our method.

Position modeling plays a critical role in Transformers. In this paper, we focus on length extrapolation, i.e., training on short texts while evaluating longer sequences. We define attention resolution as an indicator of extrapolation. Then we propose two designs to improve the above metric of Transformers. Specifically, we introduce a relative position embedding to explicitly maximize attention resolution. Moreover, we use blockwise causal attention during inference for better resolution. We evaluate different Transformer variants with language modeling. Experimental results show that our model achieves strong performance in both interpolation and extrapolation settings. The code will be available at https://aka.ms/LeX-Transformer.

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

Transformer-based pre-trained models with millions of parameters require large storage. Recent approaches tackle this shortcoming by training adapters, but these approaches still require a relatively large number of parameters. In this study, AdapterBias, a surprisingly simple yet effective adapter architecture, is proposed. AdapterBias adds a token-dependent shift to the hidden output of transformer layers to adapt to downstream tasks with only a vector and a linear layer. Extensive experiments are conducted to demonstrate the effectiveness of AdapterBias. The experiments show that our proposed method can dramatically reduce the trainable parameters compared to the previous works with a minimal decrease in task performances compared with fine-tuned pre-trained models. We further find that AdapterBias automatically learns to assign more significant representation shifts to the tokens related to the task in consideration.

Streaming speech recognition architectures are employed for low-latency, real-time applications. Such architectures are often characterized by their causality. Causal architectures emit tokens at each frame, relying only on current and past signal, while non-causal models are exposed to a window of future frames at each step to increase predictive accuracy. This dichotomy amounts to a trade-off for real-time Automatic Speech Recognition (ASR) system design: profit from the low-latency benefit of strictly-causal architectures while accepting predictive performance limitations, or realize the modeling benefits of future-context models accompanied by their higher latency penalty. In this work, we relax the constraints of this choice and present the Adaptive Non-Causal Attention Transducer (ANCAT). Our architecture is non-causal in the traditional sense, but executes in a low-latency, streaming manner by dynamically choosing when to rely on future context and to what degree within the audio stream. The resulting mechanism, when coupled with our novel regularization algorithms, delivers comparable accuracy to non-causal configurations while improving significantly upon latency, closing the gap with their causal counterparts. We showcase our design experimentally by reporting comparative ASR task results with measures of accuracy and latency on both publicly accessible and production-scale, voice-assistant datasets.

Large pre-trained transformers are on top of contemporary semantic segmentation benchmarks, but come with high computational cost and a lengthy training. To lift this constraint, we look at efficient semantic segmentation from a perspective of comprehensive knowledge distillation and consider to bridge the gap between multi-source knowledge extractions and transformer-specific patch embeddings. We put forward the Transformer-based Knowledge Distillation (TransKD) framework which learns compact student transformers by distilling both feature maps and patch embeddings of large teacher transformers, bypassing the long pre-training process and reducing the FLOPs by >85.0%. Specifically, we propose two fundamental and two optimization modules: (1) Cross Selective Fusion (CSF) enables knowledge transfer between cross-stage features via channel attention and feature map distillation within hierarchical transformers; (2) Patch Embedding Alignment (PEA) performs dimensional transformation within the patchifying process to facilitate the patch embedding distillation; (3) Global-Local Context Mixer (GL-Mixer) extracts both global and local information of a representative embedding; (4) Embedding Assistant (EA) acts as an embedding method to seamlessly bridge teacher and student models with the teacher's number of channels. Experiments on Cityscapes, ACDC, and NYUv2 datasets show that TransKD outperforms state-of-the-art distillation frameworks and rivals the time-consuming pre-training method. Code is available at https://github.com/RuipingL/TransKD.

Recent advances in efficient sequence modeling have led to attention-free layers, such as Mamba, RWKV, and various gated RNNs, all featuring sub-quadratic complexity in sequence length and excellent scaling properties, enabling the construction of a new type of foundation models. In this paper, we present a unified view of these models, formulating such layers as implicit causal self-attention layers. The formulation includes most of their sub-components and is not limited to a specific part of the architecture. The framework compares the underlying mechanisms on similar grounds for different layers and provides a direct means for applying explainability methods. Our experiments show that our attention matrices and attribution method outperform an alternative and a more limited formulation that was recently proposed for Mamba. For the other architectures for which our method is the first to provide such a view, our method is effective and competitive in the relevant metrics compared to the results obtained by state-of-the-art transformer explainability methods. Our code is publicly available.

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 use the dense self-attention mechanism which gives a lot of flexibility for long-range connectivity. Over multiple layers of a deep transformer, the number of possible connectivity patterns increases exponentially. However, very few of these contribute to the performance of the network, and even fewer are essential. We hypothesize that there are sparsely connected sub-networks within a transformer, called information pathways which can be trained independently. However, the dynamic (i.e., input-dependent) nature of these pathways makes it difficult to prune dense self-attention during training. But the overall distribution of these pathways is often predictable. We take advantage of this fact to propose Stochastically Subsampled self-Attention (SSA) - a general-purpose training strategy for transformers that can reduce both the memory and computational cost of self-attention by 4 to 8 times during training while also serving as a regularization method - improving generalization over dense training. We show that an ensemble of sub-models can be formed from the subsampled pathways within a network, which can achieve better performance than its densely attended counterpart. We perform experiments on a variety of NLP, computer vision and graph learning tasks in both generative and discriminative settings to provide empirical evidence for our claims and show the effectiveness of the proposed method.

We present pure-transformer based models for video classification, drawing upon the recent success of such models in image classification. Our model extracts spatio-temporal tokens from the input video, which are then encoded by a series of transformer layers. In order to handle the long sequences of tokens encountered in video, we propose several, efficient variants of our model which factorise the spatial- and temporal-dimensions of the input. Although transformer-based models are known to only be effective when large training datasets are available, we show how we can effectively regularise the model during training and leverage pretrained image models to be able to train on comparatively small datasets. We conduct thorough ablation studies, and achieve state-of-the-art results on multiple video classification benchmarks including Kinetics 400 and 600, Epic Kitchens, Something-Something v2 and Moments in Time, outperforming prior methods based on deep 3D convolutional networks. To facilitate further research, we release code at https://github.com/google-research/scenic/tree/main/scenic/projects/vivit

We present Skill Transformer, an approach for solving long-horizon robotic tasks by combining conditional sequence modeling and skill modularity. Conditioned on egocentric and proprioceptive observations of a robot, Skill Transformer is trained end-to-end to predict both a high-level skill (e.g., navigation, picking, placing), and a whole-body low-level action (e.g., base and arm motion), using a transformer architecture and demonstration trajectories that solve the full task. It retains the composability and modularity of the overall task through a skill predictor module while reasoning about low-level actions and avoiding hand-off errors, common in modular approaches. We test Skill Transformer on an embodied rearrangement benchmark and find it performs robust task planning and low-level control in new scenarios, achieving a 2.5x higher success rate than baselines in hard rearrangement problems.

We introduce the "Belief State Transformer", a next-token predictor that takes both a prefix and suffix as inputs, with a novel objective of predicting both the next token for the prefix and the previous token for the suffix. The Belief State Transformer effectively learns to solve challenging problems that conventional forward-only transformers struggle with, in a domain-independent fashion. Key to this success is learning a compact belief state that captures all relevant information necessary for accurate predictions. Empirical ablations show that each component of the model is essential in difficult scenarios where standard Transformers fall short. For the task of story writing with known prefixes and suffixes, our approach outperforms the Fill-in-the-Middle method for reaching known goals and demonstrates improved performance even when the goals are unknown. Altogether, the Belief State Transformer enables more efficient goal-conditioned decoding, better test-time inference, and high-quality text representations on small scale problems. Website: https://sites.google.com/view/belief-state-transformer

We present a general causal generative modelling framework for accurate estimation of high fidelity image counterfactuals with deep structural causal models. Estimation of interventional and counterfactual queries for high-dimensional structured variables, such as images, remains a challenging task. We leverage ideas from causal mediation analysis and advances in generative modelling to design new deep causal mechanisms for structured variables in causal models. Our experiments demonstrate that our proposed mechanisms are capable of accurate abduction and estimation of direct, indirect and total effects as measured by axiomatic soundness of counterfactuals.

We report the presence of a simple neural mechanism that represents an input-output function as a vector within autoregressive transformer language models (LMs). Using causal mediation analysis on a diverse range of in-context-learning (ICL) tasks, we find that a small number attention heads transport a compact representation of the demonstrated task, which we call a function vector (FV). FVs are robust to changes in context, i.e., they trigger execution of the task on inputs such as zero-shot and natural text settings that do not resemble the ICL contexts from which they are collected. We test FVs across a range of tasks, models, and layers and find strong causal effects across settings in middle layers. We investigate the internal structure of FVs and find while that they often contain information that encodes the output space of the function, this information alone is not sufficient to reconstruct an FV. Finally, we test semantic vector composition in FVs, and find that to some extent they can be summed to create vectors that trigger new complex tasks. Taken together, our findings suggest that LLMs contain internal abstractions of general-purpose functions that can be invoked in a variety of contexts.

We study counterfactual identifiability in causal models with bijective generation mechanisms (BGM), a class that generalizes several widely-used causal models in the literature. We establish their counterfactual identifiability for three common causal structures with unobserved confounding, and propose a practical learning method that casts learning a BGM as structured generative modeling. Learned BGMs enable efficient counterfactual estimation and can be obtained using a variety of deep conditional generative models. We evaluate our techniques in a visual task and demonstrate its application in a real-world video streaming simulation task.

As scaling laws in generative AI push performance, they also simultaneously concentrate the development of these models among actors with large computational resources. With a focus on text-to-image (T2I) generative models, we aim to address this bottleneck by demonstrating very low-cost training of large-scale T2I diffusion transformer models. As the computational cost of transformers increases with the number of patches in each image, we propose to randomly mask up to 75% of the image patches during training. We propose a deferred masking strategy that preprocesses all patches using a patch-mixer before masking, thus significantly reducing the performance degradation with masking, making it superior to model downscaling in reducing computational cost. We also incorporate the latest improvements in transformer architecture, such as the use of mixture-of-experts layers, to improve performance and further identify the critical benefit of using synthetic images in micro-budget training. Finally, using only 37M publicly available real and synthetic images, we train a 1.16 billion parameter sparse transformer with only \1,890 economical cost and achieve a 12.7 FID in zero-shot generation on the COCO dataset. Notably, our model achieves competitive FID and high-quality generations while incurring 118\times lower cost than stable diffusion models and 14\times lower cost than the current state-of-the-art approach that costs 28,400. We aim to release our end-to-end training pipeline to further democratize the training of large-scale diffusion models on micro-budgets.

While large language models (LLMs) have achieved impressive performance across diverse tasks, recent studies showcase that causal LLMs suffer from the "reversal curse". It is a typical example that the model knows "A's father is B", but is unable to reason "B's child is A". This limitation poses a challenge to the advancement of artificial general intelligence (AGI), as it suggests a gap in the models' ability to comprehend and apply bidirectional reasoning. In this paper, we first conduct substantial evaluation and identify that the root cause of the reversal curse lies in the different word order between the training and inference stage, namely, the poor ability of causal language models to predict antecedent words within the training data. Accordingly, permutation on the training data is considered as a potential solution, since this can make the model predict antecedent words or tokens. However, previous permutation methods may disrupt complete phrases or entities, thereby posing challenges for the model to comprehend and learn from training data. To address this issue, we propose Semantic-aware Permutation Training (SPT), which addresses this issue by segmenting the training sentences into semantic units (i.e., entities or phrases) with an assistant language model and permuting these units before feeding into the model. Extensive experiments demonstrate that SPT effectively mitigates the reversal curse since the performance on reversed questions approximates that on the forward ones, and significantly advances the performance of existing works.

While Transformers have become the dominant architecture for visual generation, linear attention models, such as the state-space models (SSM), are increasingly recognized for their efficiency in processing long visual sequences. However, the essential efficiency of these models comes from formulating a limited recurrent state, enforcing causality among tokens that are prone to inconsistent modeling of N-dimensional visual data, leaving questions on their capacity to generate long non-causal sequences. In this paper, we explore the boundary of SSM on image and video generation by building the largest-scale diffusion SSM-Transformer hybrid model to date (5B parameters) based on the sub-quadratic bi-directional Hydra and self-attention, and generate up to 2K images and 360p 8 seconds (16 FPS) videos. Our results demonstrate that the model can produce faithful results aligned with complex text prompts and temporal consistent videos with high dynamics, suggesting the great potential of using SSMs for visual generation tasks.

Mechanistic interpretability methods aim to identify the algorithm a neural network implements, but it is difficult to validate such methods when the true algorithm is unknown. This work presents InterpBench, a collection of semi-synthetic yet realistic transformers with known circuits for evaluating these techniques. We train these neural networks using a stricter version of Interchange Intervention Training (IIT) which we call Strict IIT (SIIT). Like the original, SIIT trains neural networks by aligning their internal computation with a desired high-level causal model, but it also prevents non-circuit nodes from affecting the model's output. We evaluate SIIT on sparse transformers produced by the Tracr tool and find that SIIT models maintain Tracr's original circuit while being more realistic. SIIT can also train transformers with larger circuits, like Indirect Object Identification (IOI). Finally, we use our benchmark to evaluate existing circuit discovery techniques.

Transformers have revolutionized machine learning, yet their inner workings remain opaque to many. We present Transformer Explainer, an interactive visualization tool designed for non-experts to learn about Transformers through the GPT-2 model. Our tool helps users understand complex Transformer concepts by integrating a model overview and enabling smooth transitions across abstraction levels of mathematical operations and model structures. It runs a live GPT-2 instance locally in the user's browser, empowering users to experiment with their own input and observe in real-time how the internal components and parameters of the Transformer work together to predict the next tokens. Our tool requires no installation or special hardware, broadening the public's education access to modern generative AI techniques. Our open-sourced tool is available at https://poloclub.github.io/transformer-explainer/. A video demo is available at https://youtu.be/ECR4oAwocjs.

Recent studies have discovered that Chain-of-Thought prompting (CoT) can dramatically improve the performance of Large Language Models (LLMs), particularly when dealing with complex tasks involving mathematics or reasoning. Despite the enormous empirical success, the underlying mechanisms behind CoT and how it unlocks the potential of LLMs remain elusive. In this paper, we take a first step towards theoretically answering these questions. Specifically, we examine the expressivity of LLMs with CoT in solving fundamental mathematical and decision-making problems. By using circuit complexity theory, we first give impossibility results showing that bounded-depth Transformers are unable to directly produce correct answers for basic arithmetic/equation tasks unless the model size grows super-polynomially with respect to the input length. In contrast, we then prove by construction that autoregressive Transformers of constant size suffice to solve both tasks by generating CoT derivations using a commonly used math language format. Moreover, we show LLMs with CoT can handle a general class of decision-making problems known as Dynamic Programming, thus justifying its power in tackling complex real-world tasks. Finally, an extensive set of experiments show that, while Transformers always fail to directly predict the answers, they can consistently learn to generate correct solutions step-by-step given sufficient CoT demonstrations.

The infrastructure necessary for training state-of-the-art models is becoming overly expensive, which makes training such models affordable only to large corporations and institutions. Recent work proposes several methods for training such models collaboratively, i.e., by pooling together hardware from many independent parties and training a shared model over the Internet. In this demonstration, we collaboratively trained a text-to-image transformer similar to OpenAI DALL-E. We invited the viewers to join the ongoing training run, showing them instructions on how to contribute using the available hardware. We explained how to address the engineering challenges associated with such a training run (slow communication, limited memory, uneven performance between devices, and security concerns) and discussed how the viewers can set up collaborative training runs themselves. Finally, we show that the resulting model generates images of reasonable quality on a number of prompts.

Recent approaches to empathetic response generation incorporate emotion causalities to enhance comprehension of both the user's feelings and experiences. However, these approaches suffer from two critical issues. First, they only consider causalities between the user's emotion and the user's experiences, and ignore those between the user's experiences. Second, they neglect interdependence among causalities and reason them independently. To solve the above problems, we expect to reason all plausible causalities interdependently and simultaneously, given the user's emotion, dialogue history, and future dialogue content. Then, we infuse these causalities into response generation for empathetic responses. Specifically, we design a new model, i.e., the Conditional Variational Graph Auto-Encoder (CVGAE), for the causality reasoning, and adopt a multi-source attention mechanism in the decoder for the causality infusion. We name the whole framework as CARE, abbreviated for CAusality Reasoning for Empathetic conversation. Experimental results indicate that our method achieves state-of-the-art performance.

We present a framework for using transformer networks as universal computers by programming them with specific weights and placing them in a loop. Our input sequence acts as a punchcard, consisting of instructions and memory for data read/writes. We demonstrate that a constant number of encoder layers can emulate basic computing blocks, including embedding edit operations, non-linear functions, function calls, program counters, and conditional branches. Using these building blocks, we emulate a small instruction-set computer. This allows us to map iterative algorithms to programs that can be executed by a looped, 13-layer transformer. We show how this transformer, instructed by its input, can emulate a basic calculator, a basic linear algebra library, and in-context learning algorithms that employ backpropagation. Our work highlights the versatility of the attention mechanism, and demonstrates that even shallow transformers can execute full-fledged, general-purpose programs.

Pre-trained Transformer models such as BERT have shown great success in a wide range of applications, but at the cost of substantial increases in model complexity. Quantization-aware training (QAT) is a promising method to lower the implementation cost and energy consumption. However, aggressive quantization below 2-bit causes considerable accuracy degradation due to unstable convergence, especially when the downstream dataset is not abundant. This work proposes a proactive knowledge distillation method called Teacher Intervention (TI) for fast converging QAT of ultra-low precision pre-trained Transformers. TI intervenes layer-wise signal propagation with the intact signal from the teacher to remove the interference of propagated quantization errors, smoothing loss surface of QAT and expediting the convergence. Furthermore, we propose a gradual intervention mechanism to stabilize the recovery of subsections of Transformer layers from quantization. The proposed schemes enable fast convergence of QAT and improve the model accuracy regardless of the diverse characteristics of downstream fine-tuning tasks. We demonstrate that TI consistently achieves superior accuracy with significantly lower fine-tuning iterations on well-known Transformers of natural language processing as well as computer vision compared to the state-of-the-art QAT methods.

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 study the performance of transformers as a function of the number of repetitions of training examples with algorithmically generated datasets. On three problems of mathematics: the greatest common divisor, modular multiplication, and matrix eigenvalues, we show that for a fixed number of training steps, models trained on smaller sets of repeated examples outperform models trained on larger sets of single-use examples. We also demonstrate that two-set training - repeated use of a small random subset of examples, along normal sampling on the rest of the training set - provides for faster learning and better performance. This highlights that the benefits of repetition can outweigh those of data diversity. These datasets and problems provide a controlled setting to shed light on the still poorly understood interplay between generalization and memorization in deep learning.

In-context learning is one of the surprising and useful features of large language models. How it works is an active area of research. Recently, stylized meta-learning-like setups have been devised that train these models on a sequence of input-output pairs (x, f(x)) from a function class using the language modeling loss and observe generalization to unseen functions from the same class. One of the main discoveries in this line of research has been that for several problems such as linear regression, trained transformers learn algorithms for learning functions in context. However, the inductive biases of these models resulting in this behavior are not clearly understood. A model with unlimited training data and compute is a Bayesian predictor: it learns the pretraining distribution. It has been shown that high-capacity transformers mimic the Bayesian predictor for linear regression. In this paper, we show empirical evidence of transformers exhibiting the behavior of this ideal learner across different linear and non-linear function classes. We also extend the previous setups to work in the multitask setting and verify that transformers can do in-context learning in this setup as well and the Bayesian perspective sheds light on this setting also. Finally, via the example of learning Fourier series, we study the inductive bias for in-context learning. We find that in-context learning may or may not have simplicity bias depending on the pretraining data distribution.

The fast growing capabilities of large-scale deep learning models, such as Bert, GPT and ViT, are revolutionizing the landscape of NLP, CV and many other domains. Training such models, however, poses an unprecedented demand for computing power, which incurs exponentially increasing energy cost and carbon dioxide emissions. It is thus critical to develop efficient training solutions to reduce the training costs. Motivated by a set of key observations of inter- and intra-layer similarities among feature maps and attentions that can be identified from typical training processes, we propose a multi-level framework for training acceleration. Specifically, the framework is based on three basic operators, Coalescing, De-coalescing and Interpolation, which can be orchestrated to build a multi-level training framework. The framework consists of a V-cycle training process, which progressively down- and up-scales the model size and projects the parameters between adjacent levels of models via coalescing and de-coalescing. The key idea is that a smaller model that can be trained for fast convergence and the trained parameters provides high-qualities intermediate solutions for the next level larger network. The interpolation operator is designed to break the symmetry of neurons incurred by de-coalescing for better convergence performance. Our experiments on transformer-based language models (e.g. Bert, GPT) as well as a vision model (e.g. DeiT) prove that the proposed framework reduces the computational cost by about 20% on training BERT/GPT-Base models and up to 51.6% on training the BERT-Large model while preserving the performance.

While Multi-modal Language Models (MLMs) demonstrate impressive multimodal ability, they still struggle on providing factual and precise responses for tasks like visual question answering (VQA). In this paper, we address this challenge from the perspective of contextual information. We propose Causal Context Generation, Causal-CoG, which is a prompting strategy that engages contextual information to enhance precise VQA during inference. Specifically, we prompt MLMs to generate contexts, i.e, text description of an image, and engage the generated contexts for question answering. Moreover, we investigate the advantage of contexts on VQA from a causality perspective, introducing causality filtering to select samples for which contextual information is helpful. To show the effectiveness of Causal-CoG, we run extensive experiments on 10 multimodal benchmarks and show consistent improvements, e.g., +6.30% on POPE, +13.69% on Vizwiz and +6.43% on VQAv2 compared to direct decoding, surpassing existing methods. We hope Casual-CoG inspires explorations of context knowledge in multimodal models, and serves as a plug-and-play strategy for MLM decoding.

Symbolic regression (SR) is a challenging task in machine learning that involves finding a mathematical expression for a function based on its values. Recent advancements in SR have demonstrated the effectiveness of pretrained transformer-based models in generating equations as sequences, leveraging large-scale pretraining on synthetic datasets and offering notable advantages in terms of inference time over GP-based methods. However, these models primarily rely on supervised pretraining goals borrowed from text generation and overlook equation-specific objectives like accuracy and complexity. To address this, we propose TPSR, a Transformer-based Planning strategy for Symbolic Regression that incorporates Monte Carlo Tree Search into the transformer decoding process. Unlike conventional decoding strategies, TPSR enables the integration of non-differentiable feedback, such as fitting accuracy and complexity, as external sources of knowledge into the transformer-based equation generation process. Extensive experiments on various datasets show that our approach outperforms state-of-the-art methods, enhancing the model's fitting-complexity trade-off, extrapolation abilities, and robustness to noise

Self-supervised learning has brought about a revolutionary paradigm shift in various computing domains, including NLP, vision, and biology. Recent approaches involve pre-training transformer models on vast amounts of unlabeled data, serving as a starting point for efficiently solving downstream tasks. In the realm of reinforcement learning, researchers have recently adapted these approaches by developing models pre-trained on expert trajectories, enabling them to address a wide range of tasks, from robotics to recommendation systems. However, existing methods mostly rely on intricate pre-training objectives tailored to specific downstream applications. This paper presents a comprehensive investigation of models we refer to as Pretrained Action-State Transformer Agents (PASTA). Our study uses a unified methodology and covers an extensive set of general downstream tasks including behavioral cloning, offline RL, sensor failure robustness, and dynamics change adaptation. Our goal is to systematically compare various design choices and provide valuable insights to practitioners for building robust models. Key highlights of our study include tokenization at the action and state component level, using fundamental pre-training objectives like next token prediction, training models across diverse domains simultaneously, and using parameter efficient fine-tuning (PEFT). The developed models in our study contain fewer than 10 million parameters and the application of PEFT enables fine-tuning of fewer than 10,000 parameters during downstream adaptation, allowing a broad community to use these models and reproduce our experiments. We hope that this study will encourage further research into the use of transformers with first-principles design choices to represent RL trajectories and contribute to robust policy learning.

Conventional wisdom suggests that pre-training Vision Transformers (ViT) improves downstream performance by learning useful representations. Is this actually true? We investigate this question and find that the features and representations learned during pre-training are not essential. Surprisingly, using only the attention patterns from pre-training (i.e., guiding how information flows between tokens) is sufficient for models to learn high quality features from scratch and achieve comparable downstream performance. We show this by introducing a simple method called attention transfer, where only the attention patterns from a pre-trained teacher ViT are transferred to a student, either by copying or distilling the attention maps. Since attention transfer lets the student learn its own features, ensembling it with a fine-tuned teacher also further improves accuracy on ImageNet. We systematically study various aspects of our findings on the sufficiency of attention maps, including distribution shift settings where they underperform fine-tuning. We hope our exploration provides a better understanding of what pre-training accomplishes and leads to a useful alternative to the standard practice of fine-tuning

With the tremendous success of large transformer models in natural language understanding, down-sizing them for cost-effective deployments has become critical. Recent studies have explored the low-rank weight factorization techniques which are efficient to train, and apply out-of-the-box to any transformer architecture. Unfortunately, the low-rank assumption tends to be over-restrictive and hinders the expressiveness of the compressed model. This paper proposes, DSFormer, a simple alternative factorization scheme which expresses a target weight matrix as the product of a small dense and a semi-structured sparse matrix. The resulting approximation is more faithful to the weight distribution in transformers and therefore achieves a stronger efficiency-accuracy trade-off. Another concern with existing factorizers is their dependence on a task-unaware initialization step which degrades the accuracy of the resulting model. DSFormer addresses this issue through a novel Straight-Through Factorizer (STF) algorithm that jointly learns all the weight factorizations to directly maximize the final task accuracy. Extensive experiments on multiple natural language understanding benchmarks demonstrate that DSFormer obtains up to 40% better compression than the state-of-the-art low-rank factorizers, leading semi-structured sparsity baselines and popular knowledge distillation approaches. Our approach is also orthogonal to mainstream compressors and offers up to 50% additional compression when added to popular distilled, layer-shared and quantized transformers. We empirically evaluate the benefits of STF over conventional optimization practices.

Transformer models, despite their impressive performance, often face practical limitations due to their high computational requirements. At the same time, previous studies have revealed significant activation sparsity in these models, indicating the presence of redundant computations. In this paper, we propose Dynamic Sparsified Transformer Inference (DSTI), a method that radically reduces the inference cost of Transformer models by enforcing activation sparsity and subsequently transforming a dense model into its sparse Mixture of Experts (MoE) version. We demonstrate that it is possible to train small gating networks that successfully predict the relative contribution of each expert during inference. Furthermore, we introduce a mechanism that dynamically determines the number of executed experts individually for each token. DSTI can be applied to any Transformer-based architecture and has negligible impact on the accuracy. For the BERT-base classification model, we reduce inference cost by almost 60%.

The instruction learning paradigm -- where a model learns to perform new tasks from task descriptions alone -- has become popular in general-purpose model research. The capabilities of large transformer models as instruction learners, however, remain poorly understood. We use a controlled synthetic environment to characterize such capabilities. Specifically, we use the task of deciding whether a given string matches a regular expression (viewed as an instruction) to identify properties of tasks, instructions, and instances that make instruction learning challenging. For instance, we find that our model, a fine-tuned T5-based text2text transformer, struggles with large regular languages, suggesting that less precise instructions are challenging for models. Additionally, instruction executions that require tracking longer contexts of prior steps are also more difficult. We use our findings to systematically construct a challenging instruction learning dataset, which we call Hard RegSet. Fine-tuning on Hard RegSet, our large transformer learns to correctly interpret only 65.6% of test instructions (with at least 90% accuracy), and 11%-24% of the instructions in out-of-distribution generalization settings. We propose Hard RegSet as a challenging instruction learning task, and a controlled environment for studying instruction learning.

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.

Recently, diffusion transformers have gained wide attention with its excellent performance in text-to-image and text-to-vidoe models, emphasizing the need for transformers as backbone for diffusion models. Transformer-based models have shown better generalization capability compared to CNN-based models for general vision tasks. However, much less has been explored in the existing literature regarding the capabilities of transformer-based diffusion backbones and expanding their generative prowess to other datasets. This paper focuses on enabling a single pre-trained diffusion transformer model to scale across multiple datasets swiftly, allowing for the completion of diverse generative tasks using just one model. To this end, we propose DiffScaler, an efficient scaling strategy for diffusion models where we train a minimal amount of parameters to adapt to different tasks. In particular, we learn task-specific transformations at each layer by incorporating the ability to utilize the learned subspaces of the pre-trained model, as well as the ability to learn additional task-specific subspaces, which may be absent in the pre-training dataset. As these parameters are independent, a single diffusion model with these task-specific parameters can be used to perform multiple tasks simultaneously. Moreover, we find that transformer-based diffusion models significantly outperform CNN-based diffusion models methods while performing fine-tuning over smaller datasets. We perform experiments on four unconditional image generation datasets. We show that using our proposed method, a single pre-trained model can scale up to perform these conditional and unconditional tasks, respectively, with minimal parameter tuning while performing as close as fine-tuning an entire diffusion model for that particular task.

Few-shot Chain-of-Thought (CoT) prompting has demonstrated strong performance in improving the reasoning capabilities of large language models (LLMs). While theoretical investigations have been conducted to understand CoT, the underlying transformer used in these studies isolates the CoT reasoning process into separated in-context learning steps (Stepwise ICL). In this work, we theoretically show that, compared to Stepwise ICL, the transformer gains better error correction ability and more accurate predictions if the reasoning from earlier steps (Coherent CoT) is integrated. Given that this coherent reasoning changes the behavior of the transformer, we further investigate the sensitivity of the transformer with Coherent CoT when the demonstration examples are corrupted at the inference stage. Our theoretical results indicate that the transformer is more sensitive to errors in intermediate reasoning steps than the final outcome. Building upon this observation, we propose an improvement on CoT by incorporating both correct and incorrect reasoning paths in the demonstration. Our experiments validate the effectiveness of the proposed approach.

This paper investigates whether large language models (LLMs) utilize numerical attributes encoded in a low-dimensional subspace of the embedding space when answering logical comparison questions (e.g., Was Cristiano born before Messi?). We first identified these subspaces using partial least squares regression, which effectively encodes the numerical attributes associated with the entities in comparison prompts. Further, we demonstrate causality by intervening in these subspaces to manipulate hidden states, thereby altering the LLM's comparison outcomes. Experimental results show that our findings hold for different numerical attributes, indicating that LLMs utilize the linearly encoded information for numerical reasoning.

In this paper, we tackle the problem of domain shift. Most existing methods perform training on multiple source domains using a single model, and the same trained model is used on all unseen target domains. Such solutions are sub-optimal as each target domain exhibits its own specialty, which is not adapted. Furthermore, expecting single-model training to learn extensive knowledge from multiple source domains is counterintuitive. The model is more biased toward learning only domain-invariant features and may result in negative knowledge transfer. In this work, we propose a novel framework for unsupervised test-time adaptation, which is formulated as a knowledge distillation process to address domain shift. Specifically, we incorporate Mixture-of-Experts (MoE) as teachers, where each expert is separately trained on different source domains to maximize their specialty. Given a test-time target domain, a small set of unlabeled data is sampled to query the knowledge from MoE. As the source domains are correlated to the target domains, a transformer-based aggregator then combines the domain knowledge by examining the interconnection among them. The output is treated as a supervision signal to adapt a student prediction network toward the target domain. We further employ meta-learning to enforce the aggregator to distill positive knowledge and the student network to achieve fast adaptation. Extensive experiments demonstrate that the proposed method outperforms the state-of-the-art and validates the effectiveness of each proposed component. Our code is available at https://github.com/n3il666/Meta-DMoE.

Can a mere next-token predictor faithfully model human intelligence? We crystallize this intuitive concern, which is fragmented in the literature. As a starting point, we argue that the two often-conflated phases of next-token prediction -- autoregressive inference and teacher-forced training -- must be treated distinctly. The popular criticism that errors can compound during autoregressive inference, crucially assumes that teacher-forcing has learned an accurate next-token predictor. This assumption sidesteps a more deep-rooted problem we expose: in certain classes of tasks, teacher-forcing can simply fail to learn an accurate next-token predictor in the first place. We describe a general mechanism of how teacher-forcing can fail, and design a minimal planning task where both the Transformer and the Mamba architecture empirically fail in that manner -- remarkably, despite the task being straightforward to learn. We provide preliminary evidence that this failure can be resolved when training to predict multiple tokens in advance. We hope this finding can ground future debates and inspire explorations beyond the next-token prediction paradigm. We make our code available under https://github.com/gregorbachmann/Next-Token-Failures

Large language models like GPT-4 exhibit emergent capabilities across general-purpose tasks, such as basic arithmetic, when trained on extensive text data, even though these tasks are not explicitly encoded by the unsupervised, next-token prediction objective. This study investigates how small transformers, trained from random initialization, can efficiently learn arithmetic operations such as addition, multiplication, and elementary functions like square root, using the next-token prediction objective. We first demonstrate that conventional training data is not the most effective for arithmetic learning, and simple formatting changes can significantly improve accuracy. This leads to sharp phase transitions as a function of training data scale, which, in some cases, can be explained through connections to low-rank matrix completion. Building on prior work, we then train on chain-of-thought style data that includes intermediate step results. Even in the complete absence of pretraining, this approach significantly and simultaneously improves accuracy, sample complexity, and convergence speed. We also study the interplay between arithmetic and text data during training and examine the effects of few-shot prompting, pretraining, and model scale. Additionally, we discuss length generalization challenges. Our work highlights the importance of high-quality, instructive data that considers the particular characteristics of the next-word prediction objective for rapidly eliciting arithmetic capabilities.

Understanding Transformer-based models has attracted significant attention, as they lie at the heart of recent technological advances across machine learning. While most interpretability methods rely on running models over inputs, recent work has shown that a zero-pass approach, where parameters are interpreted directly without a forward/backward pass is feasible for some Transformer parameters, and for two-layer attention networks. In this work, we present a theoretical analysis where all parameters of a trained Transformer are interpreted by projecting them into the embedding space, that is, the space of vocabulary items they operate on. We derive a simple theoretical framework to support our arguments and provide ample evidence for its validity. First, an empirical analysis showing that parameters of both pretrained and fine-tuned models can be interpreted in embedding space. Second, we present two applications of our framework: (a) aligning the parameters of different models that share a vocabulary, and (b) constructing a classifier without training by ``translating'' the parameters of a fine-tuned classifier to parameters of a different model that was only pretrained. Overall, our findings open the door to interpretation methods that, at least in part, abstract away from model specifics and operate in the embedding space only.

We introduce ARPG, a novel visual autoregressive model that enables randomized parallel generation, addressing the inherent limitations of conventional raster-order approaches, which hinder inference efficiency and zero-shot generalization due to their sequential, predefined token generation order. Our key insight is that effective random-order modeling necessitates explicit guidance for determining the position of the next predicted token. To this end, we propose a novel guided decoding framework that decouples positional guidance from content representation, encoding them separately as queries and key-value pairs. By directly incorporating this guidance into the causal attention mechanism, our approach enables fully random-order training and generation, eliminating the need for bidirectional attention. Consequently, ARPG readily generalizes to zero-shot tasks such as image inpainting, outpainting, and resolution expansion. Furthermore, it supports parallel inference by concurrently processing multiple queries using a shared KV cache. On the ImageNet-1K 256 benchmark, our approach attains an FID of 1.94 with only 64 sampling steps, achieving over a 20-fold increase in throughput while reducing memory consumption by over 75% compared to representative recent autoregressive models at a similar scale.

Large transformer models powered by diverse data and model scale have dominated natural language modeling and computer vision and pushed the frontier of multiple AI areas. In reinforcement learning (RL), despite many efforts into transformer-based policies, a key limitation, however, is that current transformer-based policies cannot learn by directly combining information from multiple sub-optimal trials. In this work, we address this issue using recently proposed chain of hindsight to relabel experience, where we train a transformer on a sequence of trajectory experience ascending sorted according to their total rewards. Our method consists of relabelling target return of each trajectory to the maximum total reward among in sequence of trajectories and training an autoregressive model to predict actions conditioning on past states, actions, rewards, target returns, and task completion tokens, the resulting model, Agentic Transformer (AT), can learn to improve upon itself both at training and test time. As we show on D4RL and ExoRL benchmarks, to the best our knowledge, this is the first time that a simple transformer-based model performs competitively with both temporal-difference and imitation-learning-based approaches, even from sub-optimal data. Our Agentic Transformer also shows a promising scaling trend that bigger models consistently improve results.

In this work we introduce KERNELIZED TRANSFORMER, a generic, scalable, data driven framework for learning the kernel function in Transformers. Our framework approximates the Transformer kernel as a dot product between spectral feature maps and learns the kernel by learning the spectral distribution. This not only helps in learning a generic kernel end-to-end, but also reduces the time and space complexity of Transformers from quadratic to linear. We show that KERNELIZED TRANSFORMERS achieve performance comparable to existing efficient Transformer architectures, both in terms of accuracy as well as computational efficiency. Our study also demonstrates that the choice of the kernel has a substantial impact on performance, and kernel learning variants are competitive alternatives to fixed kernel Transformers, both in long as well as short sequence tasks.

Pretrained bidirectional Transformers, such as BERT, have achieved significant improvements in a wide variety of language understanding tasks, while it is not straightforward to directly apply them for natural language generation. In this paper, we present a sequence-to-sequence fine-tuning toolkit s2s-ft, which adopts pretrained Transformers for conditional generation tasks. Inspired by UniLM, we implement three sequence-to-sequence fine-tuning algorithms, namely, causal fine-tuning, masked fine-tuning, and pseudo-masked fine-tuning. By leveraging the existing pretrained bidirectional Transformers, experimental results show that s2s-ft achieves strong performance on several benchmarks of abstractive summarization, and question generation. Moreover, we demonstrate that the package s2s-ft supports both monolingual and multilingual NLG tasks. The s2s-ft toolkit is available at https://github.com/microsoft/unilm/tree/master/s2s-ft.

Causal representation learning seeks to extract high-level latent factors from low-level sensory data. Most existing methods rely on observational data and structural assumptions (e.g., conditional independence) to identify the latent factors. However, interventional data is prevalent across applications. Can interventional data facilitate causal representation learning? We explore this question in this paper. The key observation is that interventional data often carries geometric signatures of the latent factors' support (i.e. what values each latent can possibly take). For example, when the latent factors are causally connected, interventions can break the dependency between the intervened latents' support and their ancestors'. Leveraging this fact, we prove that the latent causal factors can be identified up to permutation and scaling given data from perfect do interventions. Moreover, we can achieve block affine identification, namely the estimated latent factors are only entangled with a few other latents if we have access to data from imperfect interventions. These results highlight the unique power of interventional data in causal representation learning; they can enable provable identification of latent factors without any assumptions about their distributions or dependency structure.

In this paper, we take a new approach to autoregressive image generation that is based on two main ingredients. The first is wavelet image coding, which allows to tokenize the visual details of an image from coarse to fine details by ordering the information starting with the most significant bits of the most significant wavelet coefficients. The second is a variant of a language transformer whose architecture is re-designed and optimized for token sequences in this 'wavelet language'. The transformer learns the significant statistical correlations within a token sequence, which are the manifestations of well-known correlations between the wavelet subbands at various resolutions. We show experimental results with conditioning on the generation process.

Training large transformer models is one of the most important computational challenges of modern AI. In this paper, we show how to significantly accelerate training of large transformer models by reducing activation recomputation. Activation recomputation is commonly used to work around memory capacity constraints. Rather than storing activations for backpropagation, they are traditionally recomputed, which saves memory but adds redundant compute. In this work, we show most of this redundant compute is unnecessary because we can reduce memory consumption sufficiently without it. We present two novel yet very simple techniques: sequence parallelism and selective activation recomputation. In conjunction with tensor parallelism, these techniques almost eliminate the need to recompute activations. We evaluate our approach on language models up to one trillion parameters in scale and show that our method reduces activation memory by 5x, while reducing execution time overhead from activation recomputation by over 90%. For example, when training a 530B parameter GPT-3 style model on 2240 NVIDIA A100 GPUs, we achieve a Model Flops Utilization of 54.2%, which is 29% faster than the 42.1% we achieve using recomputation. Our implementation will be available in both Megatron-LM and NeMo-Megatron.

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.

In spite of their huge success, transformer models remain difficult to scale in depth. In this work, we develop a unified signal propagation theory and provide formulae that govern the moments of the forward and backward signal through the transformer model. Our framework can be used to understand and mitigate vanishing/exploding gradients, rank collapse, and instability associated with high attention scores. We also propose DeepScaleLM, an initialization and scaling scheme that conserves unit output/gradient moments throughout the model, enabling the training of very deep models with 100s of layers. We find that transformer models could be much deeper - our deep models with fewer parameters outperform shallow models in Language Modeling, Speech Translation, and Image Classification, across Encoder-only, Decoder-only and Encoder-Decoder variants, for both Pre-LN and Post-LN transformers, for multiple datasets and model sizes. These improvements also translate into improved performance on downstream Question Answering tasks and improved robustness for image classification.

Models need appropriate inductive biases to effectively learn from small amounts of data and generalize systematically outside of the training distribution. While Transformers are highly versatile and powerful, they can still benefit from enhanced structural inductive biases for seq2seq tasks, especially those involving syntactic transformations, such as converting active to passive voice or semantic parsing. In this paper, we propose to strengthen the structural inductive bias of a Transformer by intermediate pre-training to perform synthetically generated syntactic transformations of dependency trees given a description of the transformation. Our experiments confirm that this helps with few-shot learning of syntactic tasks such as chunking, and also improves structural generalization for semantic parsing. Our analysis shows that the intermediate pre-training leads to attention heads that keep track of which syntactic transformation needs to be applied to which token, and that the model can leverage these attention heads on downstream tasks.

Despite the growing use of transformer models in computer vision, a mechanistic understanding of these networks is still needed. This work introduces a method to reverse-engineer Vision Transformers trained to solve image classification tasks. Inspired by previous research in NLP, we demonstrate how the inner representations at any level of the hierarchy can be projected onto the learned class embedding space to uncover how these networks build categorical representations for their predictions. We use our framework to show how image tokens develop class-specific representations that depend on attention mechanisms and contextual information, and give insights on how self-attention and MLP layers differentially contribute to this categorical composition. We additionally demonstrate that this method (1) can be used to determine the parts of an image that would be important for detecting the class of interest, and (2) exhibits significant advantages over traditional linear probing approaches. Taken together, our results position our proposed framework as a powerful tool for mechanistic interpretability and explainability research.

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.

Models trained with counterfactually augmented data learn representations of the causal structure of tasks, enabling robust generalization. However, high-quality counterfactual data is scarce for most tasks and not easily generated at scale. When crowdsourced, such data is typically limited in scale and diversity; when generated using supervised methods, it is computationally expensive to extend to new counterfactual dimensions. In this work, we introduce DISCO (DIStilled COunterfactual Data), a new method for automatically generating high quality counterfactual data at scale. DISCO engineers prompts to generate phrasal perturbations with a large general language model. Then, a task-specific teacher model filters these generations to distill high-quality counterfactual data. While task-agnostic, we apply our pipeline to the task of natural language inference (NLI) and find that on challenging evaluations such as the NLI stress test, comparatively smaller student models trained with DISCO generated counterfactuals are more robust (6% absolute) and generalize better across distributions (2%) compared to models trained without data augmentation. Furthermore, DISCO augmented models are 10% more consistent between counterfactual pairs on three evaluation sets, demonstrating that DISCO augmentation enables models to more reliably learn causal representations. Our repository is available at: https://github.com/eric11eca/disco

The ability to learn from context with novel concepts, and deliver appropriate responses are essential in human conversations. Despite current Multimodal Large Language Models (MLLMs) and Large Language Models (LLMs) being trained on mega-scale datasets, recognizing unseen images or understanding novel concepts in a training-free manner remains a challenge. In-Context Learning (ICL) explores training-free few-shot learning, where models are encouraged to ``learn to learn" from limited tasks and generalize to unseen tasks. In this work, we propose link-context learning (LCL), which emphasizes "reasoning from cause and effect" to augment the learning capabilities of MLLMs. LCL goes beyond traditional ICL by explicitly strengthening the causal relationship between the support set and the query set. By providing demonstrations with causal links, LCL guides the model to discern not only the analogy but also the underlying causal associations between data points, which empowers MLLMs to recognize unseen images and understand novel concepts more effectively. To facilitate the evaluation of this novel approach, we introduce the ISEKAI dataset, comprising exclusively of unseen generated image-label pairs designed for link-context learning. Extensive experiments show that our LCL-MLLM exhibits strong link-context learning capabilities to novel concepts over vanilla MLLMs. Code and data will be released at https://github.com/isekai-portal/Link-Context-Learning.

In-context learning (ICL) is a type of prompting where a transformer model operates on a sequence of (input, output) examples and performs inference on-the-fly. In this work, we formalize in-context learning as an algorithm learning problem where a transformer model implicitly constructs a hypothesis function at inference-time. We first explore the statistical aspects of this abstraction through the lens of multitask learning: We obtain generalization bounds for ICL when the input prompt is (1) a sequence of i.i.d. (input, label) pairs or (2) a trajectory arising from a dynamical system. The crux of our analysis is relating the excess risk to the stability of the algorithm implemented by the transformer. We characterize when transformer/attention architecture provably obeys the stability condition and also provide empirical verification. For generalization on unseen tasks, we identify an inductive bias phenomenon in which the transfer learning risk is governed by the task complexity and the number of MTL tasks in a highly predictable manner. Finally, we provide numerical evaluations that (1) demonstrate transformers can indeed implement near-optimal algorithms on classical regression problems with i.i.d. and dynamic data, (2) provide insights on stability, and (3) verify our theoretical predictions.

Transformers have significantly impacted domains like natural language processing, computer vision, and robotics, where they improve performance compared to other neural networks. This survey explores how transformers are used in reinforcement learning (RL), where they are seen as a promising solution for addressing challenges such as unstable training, credit assignment, lack of interpretability, and partial observability. We begin by providing a brief domain overview of RL, followed by a discussion on the challenges of classical RL algorithms. Next, we delve into the properties of the transformer and its variants and discuss the characteristics that make them well-suited to address the challenges inherent in RL. We examine the application of transformers to various aspects of RL, including representation learning, transition and reward function modeling, and policy optimization. We also discuss recent research that aims to enhance the interpretability and efficiency of transformers in RL, using visualization techniques and efficient training strategies. Often, the transformer architecture must be tailored to the specific needs of a given application. We present a broad overview of how transformers have been adapted for several applications, including robotics, medicine, language modeling, cloud computing, and combinatorial optimization. We conclude by discussing the limitations of using transformers in RL and assess their potential for catalyzing future breakthroughs in this field.

Humans recognize anomalies through two aspects: larger patch-wise representation discrepancies and weaker patch-to-normal-patch correlations. However, the previous AD methods didn't sufficiently combine the two complementary aspects to design AD models. To this end, we find that Transformer can ideally satisfy the two aspects as its great power in the unified modeling of patch-wise representations and patch-to-patch correlations. In this paper, we propose a novel AD framework: FOcus-the-Discrepancy (FOD), which can simultaneously spot the patch-wise, intra- and inter-discrepancies of anomalies. The major characteristic of our method is that we renovate the self-attention maps in transformers to Intra-Inter-Correlation (I2Correlation). The I2Correlation contains a two-branch structure to first explicitly establish intra- and inter-image correlations, and then fuses the features of two-branch to spotlight the abnormal patterns. To learn the intra- and inter-correlations adaptively, we propose the RBF-kernel-based target-correlations as learning targets for self-supervised learning. Besides, we introduce an entropy constraint strategy to solve the mode collapse issue in optimization and further amplify the normal-abnormal distinguishability. Extensive experiments on three unsupervised real-world AD benchmarks show the superior performance of our approach. Code will be available at https://github.com/xcyao00/FOD.

Model-based reinforcement learning agents utilizing transformers have shown improved sample efficiency due to their ability to model extended context, resulting in more accurate world models. However, for complex reasoning and planning tasks, these methods primarily rely on continuous representations. This complicates modeling of discrete properties of the real world such as disjoint object classes between which interpolation is not plausible. In this work, we introduce discrete abstract representations for transformer-based learning (DART), a sample-efficient method utilizing discrete representations for modeling both the world and learning behavior. We incorporate a transformer-decoder for auto-regressive world modeling and a transformer-encoder for learning behavior by attending to task-relevant cues in the discrete representation of the world model. For handling partial observability, we aggregate information from past time steps as memory tokens. DART outperforms previous state-of-the-art methods that do not use look-ahead search on the Atari 100k sample efficiency benchmark with a median human-normalized score of 0.790 and beats humans in 9 out of 26 games. We release our code at https://pranaval.github.io/DART/.

Sparsely activated models (SAMs), such as Mixture-of-Experts (MoE), can easily scale to have outrageously large amounts of parameters without significant increase in computational cost. However, SAMs are reported to be parameter inefficient such that larger models do not always lead to better performance. While most on-going research focuses on improving SAMs models by exploring methods of routing inputs to experts, our analysis reveals that such research might not lead to the solution we expect, i.e., the commonly-used routing methods based on gating mechanisms do not work better than randomly routing inputs to experts. In this paper, we propose a new expert-based model, THOR (Transformer witH StOchastic ExpeRts). Unlike classic expert-based models, such as the Switch Transformer, experts in THOR are randomly activated for each input during training and inference. THOR models are trained using a consistency regularized loss, where experts learn not only from training data but also from other experts as teachers, such that all the experts make consistent predictions. We validate the effectiveness of THOR on machine translation tasks. Results show that THOR models are more parameter efficient in that they significantly outperform the Transformer and MoE models across various settings. For example, in multilingual translation, THOR outperforms the Switch Transformer by 2 BLEU scores, and obtains the same BLEU score as that of a state-of-the-art MoE model that is 18 times larger. Our code is publicly available at: https://github.com/microsoft/Stochastic-Mixture-of-Experts.

Semantic image synthesis enables control over unconditional image generation by allowing guidance on what is being generated. We conditionally synthesize the latent space from a vector quantized model (VQ-model) pre-trained to autoencode images. Instead of training an autoregressive Transformer on separately learned conditioning latents and image latents, we find that jointly learning the conditioning and image latents significantly improves the modeling capabilities of the Transformer model. While our jointly trained VQ-model achieves a similar reconstruction performance to a vanilla VQ-model for both semantic and image latents, tying the two modalities at the autoencoding stage proves to be an important ingredient to improve autoregressive modeling performance. We show that our model improves semantic image synthesis using autoregressive models on popular semantic image datasets ADE20k, Cityscapes and COCO-Stuff.

The development and adoption of Vision Transformers and other deep-learning architectures for image classification tasks has been rapid. However, the "black box" nature of neural networks is a barrier to adoption in applications where explainability is essential. While some techniques for generating explanations have been proposed, primarily for Convolutional Neural Networks, adapting such techniques to the new paradigm of Vision Transformers is non-trivial. This paper presents T-TAME, Transformer-compatible Trainable Attention Mechanism for Explanations, a general methodology for explaining deep neural networks used in image classification tasks. The proposed architecture and training technique can be easily applied to any convolutional or Vision Transformer-like neural network, using a streamlined training approach. After training, explanation maps can be computed in a single forward pass; these explanation maps are comparable to or outperform the outputs of computationally expensive perturbation-based explainability techniques, achieving SOTA performance. We apply T-TAME to three popular deep learning classifier architectures, VGG-16, ResNet-50, and ViT-B-16, trained on the ImageNet dataset, and we demonstrate improvements over existing state-of-the-art explainability methods. A detailed analysis of the results and an ablation study provide insights into how the T-TAME design choices affect the quality of the generated explanation maps.

Causal abstraction is a promising theoretical framework for explainable artificial intelligence that defines when an interpretable high-level causal model is a faithful simplification of a low-level deep learning system. However, existing causal abstraction methods have two major limitations: they require a brute-force search over alignments between the high-level model and the low-level one, and they presuppose that variables in the high-level model will align with disjoint sets of neurons in the low-level one. In this paper, we present distributed alignment search (DAS), which overcomes these limitations. In DAS, we find the alignment between high-level and low-level models using gradient descent rather than conducting a brute-force search, and we allow individual neurons to play multiple distinct roles by analyzing representations in non-standard bases-distributed representations. Our experiments show that DAS can discover internal structure that prior approaches miss. Overall, DAS removes previous obstacles to conducting causal abstraction analyses and allows us to find conceptual structure in trained neural nets.

Large transformer-based models are able to perform in-context few-shot learning, without being explicitly trained for it. This observation raises the question: what aspects of the training regime lead to this emergent behavior? Here, we show that this behavior is driven by the distributions of the training data itself. In-context learning emerges when the training data exhibits particular distributional properties such as burstiness (items appear in clusters rather than being uniformly distributed over time) and having large numbers of rarely occurring classes. In-context learning also emerges more strongly when item meanings or interpretations are dynamic rather than fixed. These properties are exemplified by natural language, but are also inherent to naturalistic data in a wide range of other domains. They also depart significantly from the uniform, i.i.d. training distributions typically used for standard supervised learning. In our initial experiments, we found that in-context learning traded off against more conventional weight-based learning, and models were unable to achieve both simultaneously. However, our later experiments uncovered that the two modes of learning could co-exist in a single model when it was trained on data following a skewed Zipfian distribution -- another common property of naturalistic data, including language. In further experiments, we found that naturalistic data distributions were only able to elicit in-context learning in transformers, and not in recurrent models. In sum, our findings indicate how the transformer architecture works together with particular properties of the training data to drive the intriguing emergent in-context learning behaviour of large language models, and how future work might encourage both in-context and in-weights learning in domains beyond language.

We present Learning to Explain (LTX), a model-agnostic framework designed for providing post-hoc explanations for vision models. The LTX framework introduces an "explainer" model that generates explanation maps, highlighting the crucial regions that justify the predictions made by the model being explained. To train the explainer, we employ a two-stage process consisting of initial pretraining followed by per-instance finetuning. During both stages of training, we utilize a unique configuration where we compare the explained model's prediction for a masked input with its original prediction for the unmasked input. This approach enables the use of a novel counterfactual objective, which aims to anticipate the model's output using masked versions of the input image. Importantly, the LTX framework is not restricted to a specific model architecture and can provide explanations for both Transformer-based and convolutional models. Through our evaluations, we demonstrate that LTX significantly outperforms the current state-of-the-art in explainability across various metrics.

Current parameter-efficient fine-tuning (PEFT) methods build adapters without considering the context of downstream task to learn, or the context of important knowledge to maintain. As a result, there is often a performance gap compared to full-parameter finetuning, and meanwhile the finetuned model suffers from catastrophic forgetting of the pre-trained world knowledge. In this paper, we propose CorDA, a Context-oriented Decomposition Adaptation method that builds learnable adapters from weight decomposition oriented by the context of downstream task or world knowledge. Concretely, we collect a few data samples, and perform singular value decomposition for each linear layer of a pre-trained LLM multiplied by the covariance matrix of the input activation using these samples. By doing so, the context of the representative samples is captured through deciding the factorizing orientation. Our method enables two options, the knowledge-preserved adaptation and the instruction-previewed adaptation. For the former, we use question-answering samples to obtain the covariance matrices, and use the decomposed components with the smallest r singular values to initialize a learnable adapter, with the others frozen such that the world knowledge is better preserved. For the latter, we use the instruction data from the finetuning task, such as math or coding, to orientate the decomposition and train the largest r components that capture the main characteristics of the task to learn. We conduct extensive experiments on Math, Code, and Instruction Following tasks. Our knowledge-preserved adaptation not only achieves better performance than LoRA on finetuning tasks, but also mitigates the forgetting of world knowledge. Our instruction-previewed adaptation is able to further enhance the finetuning performance, surpassing full-parameter finetuning and the state-of-the-art PEFT methods.

Automated interpretability pipelines generate natural language descriptions for the concepts represented by features in large language models (LLMs), such as plants or the first word in a sentence. These descriptions are derived using inputs that activate the feature, which may be a dimension or a direction in the model's representation space. However, identifying activating inputs is costly, and the mechanistic role of a feature in model behavior is determined both by how inputs cause a feature to activate and by how feature activation affects outputs. Using steering evaluations, we reveal that current pipelines provide descriptions that fail to capture the causal effect of the feature on outputs. To fix this, we propose efficient, output-centric methods for automatically generating feature descriptions. These methods use the tokens weighted higher after feature stimulation or the highest weight tokens after applying the vocabulary "unembedding" head directly to the feature. Our output-centric descriptions better capture the causal effect of a feature on model outputs than input-centric descriptions, but combining the two leads to the best performance on both input and output evaluations. Lastly, we show that output-centric descriptions can be used to find inputs that activate features previously thought to be "dead".

The success of deep learning heavily relies on large-scale data with comprehensive labels, which is more expensive and time-consuming to fetch in 3D compared to 2D images or natural languages. This promotes the potential of utilizing models pretrained with data more than 3D as teachers for cross-modal knowledge transferring. In this paper, we revisit masked modeling in a unified fashion of knowledge distillation, and we show that foundational Transformers pretrained with 2D images or natural languages can help self-supervised 3D representation learning through training Autoencoders as Cross-Modal Teachers (ACT). The pretrained Transformers are transferred as cross-modal 3D teachers using discrete variational autoencoding self-supervision, during which the Transformers are frozen with prompt tuning for better knowledge inheritance. The latent features encoded by the 3D teachers are used as the target of masked point modeling, wherein the dark knowledge is distilled to the 3D Transformer students as foundational geometry understanding. Our ACT pretrained 3D learner achieves state-of-the-art generalization capacity across various downstream benchmarks, e.g., 88.21% overall accuracy on ScanObjectNN. Codes have been released at https://github.com/RunpeiDong/ACT.

Transformer and its variants are fundamental neural architectures in deep learning. Recent works show that learning attention in the Fourier space can improve the long sequence learning capability of Transformers. We argue that wavelet transform shall be a better choice because it captures both position and frequency information with linear time complexity. Therefore, in this paper, we systematically study the synergy between wavelet transform and Transformers. We propose Wavelet Space Attention (WavSpA) that facilitates attention learning in a learnable wavelet coefficient space which replaces the attention in Transformers by (1) applying forward wavelet transform to project the input sequences to multi-resolution bases, (2) conducting attention learning in the wavelet coefficient space, and (3) reconstructing the representation in input space via backward wavelet transform. Extensive experiments on the Long Range Arena demonstrate that learning attention in the wavelet space using either fixed or adaptive wavelets can consistently improve Transformer's performance and also significantly outperform learning in Fourier space. We further show our method can enhance Transformer's reasoning extrapolation capability over distance on the LEGO chain-of-reasoning task.

In this study, we explore Transformer-based diffusion models for image and video generation. Despite the dominance of Transformer architectures in various fields due to their flexibility and scalability, the visual generative domain primarily utilizes CNN-based U-Net architectures, particularly in diffusion-based models. We introduce GenTron, a family of Generative models employing Transformer-based diffusion, to address this gap. Our initial step was to adapt Diffusion Transformers (DiTs) from class to text conditioning, a process involving thorough empirical exploration of the conditioning mechanism. We then scale GenTron from approximately 900M to over 3B parameters, observing significant improvements in visual quality. Furthermore, we extend GenTron to text-to-video generation, incorporating novel motion-free guidance to enhance video quality. In human evaluations against SDXL, GenTron achieves a 51.1% win rate in visual quality (with a 19.8% draw rate), and a 42.3% win rate in text alignment (with a 42.9% draw rate). GenTron also excels in the T2I-CompBench, underscoring its strengths in compositional generation. We believe this work will provide meaningful insights and serve as a valuable reference for future research.

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.

Transformer-based language models have been shown to be highly effective for several NLP tasks. In this paper, we consider three transformer models, BERT, RoBERTa, and XLNet, in both small and large version, and investigate how faithful their representations are with respect to the semantic content of texts. We formalize a notion of semantic faithfulness, in which the semantic content of a text should causally figure in a model's inferences in question answering. We then test this notion by observing a model's behavior on answering questions about a story after performing two novel semantic interventions -- deletion intervention and negation intervention. While transformer models achieve high performance on standard question answering tasks, we show that they fail to be semantically faithful once we perform these interventions for a significant number of cases (~50% for deletion intervention, and ~20% drop in accuracy for negation intervention). We then propose an intervention-based training regime that can mitigate the undesirable effects for deletion intervention by a significant margin (from ~50% to ~6%). We analyze the inner-workings of the models to better understand the effectiveness of intervention-based training for deletion intervention. But we show that this training does not attenuate other aspects of semantic unfaithfulness such as the models' inability to deal with negation intervention or to capture the predicate-argument structure of texts. We also test InstructGPT, via prompting, for its ability to handle the two interventions and to capture predicate-argument structure. While InstructGPT models do achieve very high performance on predicate-argument structure task, they fail to respond adequately to our deletion and negation interventions.

Recent efforts have been dedicated to enhancing time series forecasting accuracy by introducing advanced network architectures and self-supervised pretraining strategies. Nevertheless, existing approaches still exhibit two critical drawbacks. Firstly, these methods often rely on a single dataset for training, limiting the model's generalizability due to the restricted scale of the training data. Secondly, the one-step generation schema is widely followed, which necessitates a customized forecasting head and overlooks the temporal dependencies in the output series, and also leads to increased training costs under different horizon length settings. To address these issues, we propose a novel generative pretrained hierarchical transformer architecture for forecasting, named GPHT. There are two aspects of key designs in GPHT. On the one hand, we advocate for constructing a mixed dataset for pretraining our model, comprising various datasets from diverse data scenarios. This approach significantly expands the scale of training data, allowing our model to uncover commonalities in time series data and facilitating improved transfer to specific datasets. On the other hand, GPHT employs an auto-regressive forecasting approach under the channel-independent assumption, effectively modeling temporal dependencies in the output series. Importantly, no customized forecasting head is required, enabling a single model to forecast at arbitrary horizon settings. We conduct sufficient experiments on eight datasets with mainstream self-supervised pretraining models and supervised models. The results demonstrated that GPHT surpasses the baseline models across various fine-tuning and zero/few-shot learning settings in the traditional long-term forecasting task, providing support for verifying the feasibility of pretrained time series large models.

This thesis provides methods and analysis of models which make progress on this goal. The techniques outlined are task agnostic, and should provide benefit when used with nearly any transformer LM. We introduce two new finetuning methods which add new capabilities to the models they are used on. The first adds a recurrence mechanism, which removes the fixed-window sized constraint and improves the efficiency of a transformer decoder. The second allows masked language models (MLMs) to be used for initialization of both the encoder and decoder of a non-autoregressive sequence-to-sequence transformer, opening up generative applications of models which were previously only used for natural language understanding tasks. We also introduce two new techniques for improving the quality of predictions of any transformer decoder without additional finetuning. One, hidden state optimization, can be applied to any transformer decoder to improve the quality of predictions at inference time, especially for few-shot classification. The other, conditional beam search, allows practitioners to search for natural language generation (NLG) model outputs with high likelihood while conditioning on the event that the output is not degenerate (e.g. empty, repetitive, etc.). Finally, we provide theoretical and empirical insights on the divergence of model-likelihood and output quality which has widely been observed in prior work. These insights apply to any model which represents a distribution over text, and apply to language models which are not transformers or even autoregressive. We argue that the NLP community has, to some extent, misunderstood the implications of these findings, and encourage a point of view which has more nuance.

Many real-world applications require the prediction of long sequence time-series, such as electricity consumption planning. Long sequence time-series forecasting (LSTF) demands a high prediction capacity of the model, which is the ability to capture precise long-range dependency coupling between output and input efficiently. Recent studies have shown the potential of Transformer to increase the prediction capacity. However, there are several severe issues with Transformer that prevent it from being directly applicable to LSTF, including quadratic time complexity, high memory usage, and inherent limitation of the encoder-decoder architecture. To address these issues, we design an efficient transformer-based model for LSTF, named Informer, with three distinctive characteristics: (i) a ProbSparse self-attention mechanism, which achieves O(L log L) in time complexity and memory usage, and has comparable performance on sequences' dependency alignment. (ii) the self-attention distilling highlights dominating attention by halving cascading layer input, and efficiently handles extreme long input sequences. (iii) the generative style decoder, while conceptually simple, predicts the long time-series sequences at one forward operation rather than a step-by-step way, which drastically improves the inference speed of long-sequence predictions. Extensive experiments on four large-scale datasets demonstrate that Informer significantly outperforms existing methods and provides a new solution to the LSTF problem.

While behavior learning has made impressive progress in recent times, it lags behind computer vision and natural language processing due to its inability to leverage large, human-generated datasets. Human behaviors have wide variance, multiple modes, and human demonstrations typically do not come with reward labels. These properties limit the applicability of current methods in Offline RL and Behavioral Cloning to learn from large, pre-collected datasets. In this work, we present Behavior Transformer (BeT), a new technique to model unlabeled demonstration data with multiple modes. BeT retrofits standard transformer architectures with action discretization coupled with a multi-task action correction inspired by offset prediction in object detection. This allows us to leverage the multi-modal modeling ability of modern transformers to predict multi-modal continuous actions. We experimentally evaluate BeT on a variety of robotic manipulation and self-driving behavior datasets. We show that BeT significantly improves over prior state-of-the-art work on solving demonstrated tasks while capturing the major modes present in the pre-collected datasets. Finally, through an extensive ablation study, we analyze the importance of every crucial component in BeT. Videos of behavior generated by BeT are available at https://notmahi.github.io/bet

We introduce a new domain expert mixture (DEMix) layer that enables conditioning a language model (LM) on the domain of the input text. A DEMix layer is a collection of expert feedforward networks, each specialized to a domain, that makes the LM modular: experts can be mixed, added or removed after initial training. Extensive experiments with autoregressive transformer LMs (up to 1.3B parameters) show that DEMix layers reduce test-time perplexity, increase training efficiency, and enable rapid adaptation with little overhead. We show that mixing experts during inference, using a parameter-free weighted ensemble, allows the model to better generalize to heterogeneous or unseen domains. We also show that experts can be added to iteratively incorporate new domains without forgetting older ones, and that experts can be removed to restrict access to unwanted domains, without additional training. Overall, these results demonstrate benefits of explicitly conditioning on textual domains during language modeling.

Transformers can learn to perform numerical computations from examples only. I study nine problems of linear algebra, from basic matrix operations to eigenvalue decomposition and inversion, and introduce and discuss four encoding schemes to represent real numbers. On all problems, transformers trained on sets of random matrices achieve high accuracies (over 90%). The models are robust to noise, and can generalize out of their training distribution. In particular, models trained to predict Laplace-distributed eigenvalues generalize to different classes of matrices: Wigner matrices or matrices with positive eigenvalues. The reverse is not true.

Large language models can solve tasks that were not present in the training set. This capability is believed to be due to in-context learning and skill composition. In this work, we study the emergence of in-context learning and skill composition in a collection of modular arithmetic tasks. Specifically, we consider a finite collection of linear modular functions z = a , x + b , y ;mod; p labeled by the vector (a, b) in Z_p^2. We use some of these tasks for pre-training and the rest for out-of-distribution testing. We empirically show that a GPT-style transformer exhibits a transition from in-distribution to out-of-distribution generalization as the number of pre-training tasks increases. We find that the smallest model capable of out-of-distribution generalization requires two transformer blocks, while for deeper models, the out-of-distribution generalization phase is transient, necessitating early stopping. Finally, we perform an interpretability study of the pre-trained models, revealing the highly structured representations in both phases; and discuss the learnt algorithm.

Recently, neural networks based purely on self-attention, such as the Vision Transformer (ViT), have been shown to outperform deep learning models constructed with convolutional neural networks (CNNs) on various vision tasks, thus extending the success of Transformers, which were originally developed for language processing, to the vision domain. A recent study showed that a similar methodology can also be applied to the audio domain. Specifically, the Audio Spectrogram Transformer (AST) achieves state-of-the-art results on various audio classification benchmarks. However, pure Transformer models tend to require more training data compared to CNNs, and the success of the AST relies on supervised pretraining that requires a large amount of labeled data and a complex training pipeline, thus limiting the practical usage of AST. This paper focuses on audio and speech classification, and aims to reduce the need for large amounts of labeled data for AST by leveraging self-supervised learning using unlabeled data. Specifically, we propose to pretrain the AST model with joint discriminative and generative masked spectrogram patch modeling (MSPM) using unlabeled audio from AudioSet and Librispeech. We evaluate our pretrained models on both audio and speech classification tasks including audio event classification, keyword spotting, emotion recognition, and speaker identification. The proposed self-supervised framework significantly boosts AST performance on all tasks, with an average improvement of 60.9%, leading to similar or even better results than a supervised pretrained AST. To the best of our knowledge, it is the first patch-based self-supervised learning framework in the audio and speech domain, and also the first self-supervised learning framework for AST.

Efficient state space models (SSMs), such as linear recurrent neural networks and linear attention variants, offer computational advantages over Transformers but struggle with tasks requiring long-range in-context retrieval-like text copying, associative recall, and question answering over long contexts. Previous efforts to address these challenges have focused on architectural modifications, often reintroducing computational inefficiencies. In this paper, we propose a novel training procedure, Birdie, that significantly enhances the in-context retrieval capabilities of SSMs without altering their architecture. Our approach combines bidirectional input processing with dynamic mixtures of specialized pre-training objectives, optimized via reinforcement learning. We introduce a new bidirectional SSM architecture that seamlessly transitions from bidirectional context processing to causal generation. Experimental evaluations demonstrate that Birdie markedly improves performance on retrieval-intensive tasks such as multi-number phone book lookup, long paragraph question-answering, and infilling. This narrows the performance gap with Transformers, while retaining computational efficiency. Our findings highlight the importance of training procedures in leveraging the fixed-state capacity of SSMs, offering a new direction to advance their capabilities. All code and pre-trained models are available at https://www.github.com/samblouir/birdie, with support for JAX and PyTorch.

Generative transformer models have become increasingly complex, with large numbers of parameters and the ability to process multiple input modalities. Current methods for explaining their predictions are resource-intensive. Most crucially, they require prohibitively large amounts of extra memory, since they rely on backpropagation which allocates almost twice as much GPU memory as the forward pass. This makes it difficult, if not impossible, to use them in production. We present AtMan that provides explanations of generative transformer models at almost no extra cost. Specifically, AtMan is a modality-agnostic perturbation method that manipulates the attention mechanisms of transformers to produce relevance maps for the input with respect to the output prediction. Instead of using backpropagation, AtMan applies a parallelizable token-based search method based on cosine similarity neighborhood in the embedding space. Our exhaustive experiments on text and image-text benchmarks demonstrate that AtMan outperforms current state-of-the-art gradient-based methods on several metrics while being computationally efficient. As such, AtMan is suitable for use in large model inference deployments.

Image captioning, which generates natural language descriptions of the visual information in an image, is a crucial task in vision-language research. Previous models have typically addressed this task by aligning the generative capabilities of machines with human intelligence through statistical fitting of existing datasets. While effective for normal images, they may struggle to accurately describe those where certain parts of the image are obscured or edited, unlike humans who excel in such cases. These weaknesses they exhibit, including hallucinations and limited interpretability, often hinder performance in scenarios with shifted association patterns. In this paper, we present a generic image captioning framework that employs causal inference to make existing models more capable of interventional tasks, and counterfactually explainable. Our approach includes two variants leveraging either total effect or natural direct effect. Integrating them into the training process enables models to handle counterfactual scenarios, increasing their generalizability. Extensive experiments on various datasets show that our method effectively reduces hallucinations and improves the model's faithfulness to images, demonstrating high portability across both small-scale and large-scale image-to-text models. The code is available at https://github.com/Aman-4-Real/See-or-Guess.

Transformers are widely used to extract semantic meanings from input tokens, yet they usually operate as black-box models. In this paper, we present a simple yet informative decomposition of hidden states (or embeddings) of trained transformers into interpretable components. For any layer, embedding vectors of input sequence samples are represented by a tensor h in R^{C times T times d}. Given embedding vector h_{c,t} in R^d at sequence position t le T in a sequence (or context) c le C, extracting the mean effects yields the decomposition \[ h_{c,t} = \mu + pos_t + ctx_c + resid_{c,t} \] where mu is the global mean vector, pos_t and ctx_c are the mean vectors across contexts and across positions respectively, and resid_{c,t} is the residual vector. For popular transformer architectures and diverse text datasets, empirically we find pervasive mathematical structure: (1) (pos_t)_{t} forms a low-dimensional, continuous, and often spiral shape across layers, (2) (ctx_c)_c shows clear cluster structure that falls into context topics, and (3) (pos_t)_{t} and (ctx_c)_c are mutually nearly orthogonal. We argue that smoothness is pervasive and beneficial to transformers trained on languages, and our decomposition leads to improved model interpretability.

Strong inductive biases enable learning from little data and help generalization outside of the training distribution. Popular neural architectures such as Transformers lack strong structural inductive biases for seq2seq NLP tasks on their own. Consequently, they struggle with systematic generalization beyond the training distribution, e.g. with extrapolating to longer inputs, even when pre-trained on large amounts of text. We show how a structural inductive bias can be efficiently injected into a seq2seq model by pre-training it to simulate structural transformations on synthetic data. Specifically, we inject an inductive bias towards Finite State Transducers (FSTs) into a Transformer by pre-training it to simulate FSTs given their descriptions. Our experiments show that our method imparts the desired inductive bias, resulting in improved systematic generalization and better few-shot learning for FST-like tasks. Our analysis shows that fine-tuned models accurately capture the state dynamics of the unseen underlying FSTs, suggesting that the simulation process is internalized by the fine-tuned model.

Most existing debiasing methods for multimodal models, including causal intervention and inference methods, utilize approximate heuristics to represent the biases, such as shallow features from early stages of training or unimodal features for multimodal tasks like VQA, etc., which may not be accurate. In this paper, we study bias arising from confounders in a causal graph for multimodal data and examine a novel approach that leverages causally-motivated information minimization to learn the confounder representations. Robust predictive features contain diverse information that helps a model generalize to out-of-distribution data. Hence, minimizing the information content of features obtained from a pretrained biased model helps learn the simplest predictive features that capture the underlying data distribution. We treat these features as confounder representations and use them via methods motivated by causal theory to remove bias from models. We find that the learned confounder representations indeed capture dataset biases, and the proposed debiasing methods improve out-of-distribution (OOD) performance on multiple multimodal datasets without sacrificing in-distribution performance. Additionally, we introduce a novel metric to quantify the sufficiency of spurious features in models' predictions that further demonstrates the effectiveness of our proposed methods. Our code is available at: https://github.com/Vaidehi99/CausalInfoMin

The gap between speech and text modalities is a major challenge in speech-to-text translation (ST). Different methods have been proposed to reduce this gap, but most of them require architectural changes in ST training. In this work, we propose to mitigate this issue at the pre-training stage, requiring no change in the ST model. First, we show that the connectionist temporal classification (CTC) loss can reduce the modality gap by design. We provide a quantitative comparison with the more common cross-entropy loss, showing that pre-training with CTC consistently achieves better final ST accuracy. Nevertheless, CTC is only a partial solution and thus, in our second contribution, we propose a novel pre-training method combining CTC and optimal transport to further reduce this gap. Our method pre-trains a Siamese-like model composed of two encoders, one for acoustic inputs and the other for textual inputs, such that they produce representations that are close to each other in the Wasserstein space. Extensive experiments on the standard CoVoST-2 and MuST-C datasets show that our pre-training method applied to the vanilla encoder-decoder Transformer achieves state-of-the-art performance under the no-external-data setting, and performs on par with recent strong multi-task learning systems trained with external data. Finally, our method can also be applied on top of these multi-task systems, leading to further improvements for these models. Code and pre-trained models are available at https://github.com/formiel/fairseq.

We introduce a hierarchical filtering procedure for generative models of sequences on trees, enabling control over the range of positional correlations in the data. Leveraging this controlled setting, we provide evidence that vanilla encoder-only transformer architectures can implement the optimal Belief Propagation algorithm on both root classification and masked language modeling tasks. Correlations at larger distances corresponding to increasing layers of the hierarchy are sequentially included as the network is trained. We analyze how the transformer layers succeed by focusing on attention maps from models trained with varying degrees of filtering. These attention maps show clear evidence for iterative hierarchical reconstruction of correlations, and we can relate these observations to a plausible implementation of the exact inference algorithm for the network sizes considered.

Transformer has shown state-of-the-art performance on various applications and has recently emerged as a promising tool for surrogate modeling of partial differential equations (PDEs). Despite the introduction of linear-complexity variant, applying attention to a large number of grid points can result in instability and is still expensive to compute. In this work, we propose Factorized Transformer(FactFormer), which is based on an axial factorized kernel integral. Concretely, we introduce a learnable projection operator that decomposes the input function into multiple sub-functions with one-dimensional domain. These sub-functions are then evaluated and used to compute the instance-based kernel with an axial factorized scheme. We showcase that the proposed model is able to simulate 2D Kolmogorov flow on a 256 by 256 grid and 3D smoke buoyancy on a 64 by 64 by 64 grid with good accuracy and efficiency. In addition, we find out that with the factorization scheme, the attention matrices enjoy a more compact spectrum than full softmax-free attention matrices.

Self-supervised learning methods are gaining increasing traction in computer vision due to their recent success in reducing the gap with supervised learning. In natural language processing (NLP) self-supervised learning and transformers are already the methods of choice. The recent literature suggests that the transformers are becoming increasingly popular also in computer vision. So far, the vision transformers have been shown to work well when pretrained either using a large scale supervised data or with some kind of co-supervision, e.g. in terms of teacher network. These supervised pretrained vision transformers achieve very good results in downstream tasks with minimal changes. In this work we investigate the merits of self-supervised learning for pretraining image/vision transformers and then using them for downstream classification tasks. We propose Self-supervised vIsion Transformers (SiT) and discuss several self-supervised training mechanisms to obtain a pretext model. The architectural flexibility of SiT allows us to use it as an autoencoder and work with multiple self-supervised tasks seamlessly. We show that a pretrained SiT can be finetuned for a downstream classification task on small scale datasets, consisting of a few thousand images rather than several millions. The proposed approach is evaluated on standard datasets using common protocols. The results demonstrate the strength of the transformers and their suitability for self-supervised learning. We outperformed existing self-supervised learning methods by large margin. We also observed that SiT is good for few shot learning and also showed that it is learning useful representation by simply training a linear classifier on top of the learned features from SiT. Pretraining, finetuning, and evaluation codes will be available under: https://github.com/Sara-Ahmed/SiT.

Transformers and their derivatives have achieved state-of-the-art performance across text, vision, and speech recognition tasks. However, minimal effort has been made to train transformers capable of evaluating the output quality of other models. This paper examines SwinV2-based reward models, called the Input-Output Transformer (IO Transformer) and the Output Transformer. These reward models can be leveraged for tasks such as inference quality evaluation, data categorization, and policy optimization. Our experiments demonstrate highly accurate model output quality assessment across domains where the output is entirely dependent on the input, with the IO Transformer achieving perfect evaluation accuracy on the Change Dataset 25 (CD25). We also explore modified Swin V2 architectures. Ultimately Swin V2 remains on top with a score of 95.41 % on the IO Segmentation Dataset, outperforming the IO Transformer in scenarios where the output is not entirely dependent on the input. Our work expands the application of transformer architectures to reward modeling in computer vision and provides critical insights into optimizing these models for various tasks.

In the heart of "rhythm games" - games where players must perform actions in sync with a piece of music - are "charts", the directives to be given to players. We newly formulate chart generation as a sequence generation task and train a Transformer using a large dataset. We also introduce tempo-informed preprocessing and training procedures, some of which are suggested to be integral for a successful training. Our model is found to outperform the baselines on a large dataset, and is also found to benefit from pretraining and finetuning.

Inferring causal structure poses a combinatorial search problem that typically involves evaluating structures with a score or independence test. The resulting search is costly, and designing suitable scores or tests that capture prior knowledge is difficult. In this work, we propose to amortize causal structure learning. Rather than searching over structures, we train a variational inference model to directly predict the causal structure from observational or interventional data. This allows our inference model to acquire domain-specific inductive biases for causal discovery solely from data generated by a simulator, bypassing both the hand-engineering of suitable score functions and the search over graphs. The architecture of our inference model emulates permutation invariances that are crucial for statistical efficiency in structure learning, which facilitates generalization to significantly larger problem instances than seen during training. On synthetic data and semisynthetic gene expression data, our models exhibit robust generalization capabilities when subject to substantial distribution shifts and significantly outperform existing algorithms, especially in the challenging genomics domain. Our code and models are publicly available at: https://github.com/larslorch/avici.

Transformer-based architectures achieved breakthrough performance in natural language processing and computer vision, yet they remain inferior to simpler linear baselines in multivariate long-term forecasting. To better understand this phenomenon, we start by studying a toy linear forecasting problem for which we show that transformers are incapable of converging to their true solution despite their high expressive power. We further identify the attention of transformers as being responsible for this low generalization capacity. Building upon this insight, we propose a shallow lightweight transformer model that successfully escapes bad local minima when optimized with sharpness-aware optimization. We empirically demonstrate that this result extends to all commonly used real-world multivariate time series datasets. In particular, SAMformer surpasses current state-of-the-art methods and is on par with the biggest foundation model MOIRAI while having significantly fewer parameters. The code is available at https://github.com/romilbert/samformer.

While the Transformer architecture has achieved remarkable success across various domains, a thorough theoretical foundation explaining its optimization dynamics is yet to be fully developed. In this study, we aim to bridge this understanding gap by answering the following two core questions: (1) Which types of Transformer architectures allow Gradient Descent (GD) to achieve guaranteed convergence? and (2) Under what initial conditions and architectural specifics does the Transformer achieve rapid convergence during training? By analyzing the loss landscape of a single Transformer layer using Softmax and Gaussian attention kernels, our work provides concrete answers to these questions. Our findings demonstrate that, with appropriate weight initialization, GD can train a Transformer model (with either kernel type) to achieve a global optimal solution, especially when the input embedding dimension is large. Nonetheless, certain scenarios highlight potential pitfalls: training a Transformer using the Softmax attention kernel may sometimes lead to suboptimal local solutions. In contrast, the Gaussian attention kernel exhibits a much favorable behavior. Our empirical study further validate the theoretical findings.

Transformers are remarkably good at in-context learning (ICL) -- learning from demonstrations without parameter updates -- but how they perform ICL remains a mystery. Recent work suggests that Transformers may learn in-context by internally running Gradient Descent, a first-order optimization method. In this paper, we instead demonstrate that Transformers learn to implement higher-order optimization methods to perform ICL. Focusing on in-context linear regression, we show that Transformers learn to implement an algorithm very similar to Iterative Newton's Method, a higher-order optimization method, rather than Gradient Descent. Empirically, we show that predictions from successive Transformer layers closely match different iterations of Newton's Method linearly, with each middle layer roughly computing 3 iterations. In contrast, exponentially more Gradient Descent steps are needed to match an additional Transformers layer; this suggests that Transformers have an comparable rate of convergence with high-order methods such as Iterative Newton, which are exponentially faster than Gradient Descent. We also show that Transformers can learn in-context on ill-conditioned data, a setting where Gradient Descent struggles but Iterative Newton succeeds. Finally, we show theoretical results which support our empirical findings and have a close correspondence with them: we prove that Transformers can implement k iterations of Newton's method with O(k) layers.

Autoregressive models excel in modeling sequential dependencies by enforcing causal constraints, yet they struggle to capture complex bidirectional patterns due to their unidirectional nature. In contrast, mask-based models leverage bidirectional context, enabling richer dependency modeling. However, they often assume token independence during prediction, which undermines the modeling of sequential dependencies. Additionally, the corruption of sequences through masking or absorption can introduce unnatural distortions, complicating the learning process. To address these issues, we propose Bidirectional Autoregressive Diffusion (BAD), a novel approach that unifies the strengths of autoregressive and mask-based generative models. BAD utilizes a permutation-based corruption technique that preserves the natural sequence structure while enforcing causal dependencies through randomized ordering, enabling the effective capture of both sequential and bidirectional relationships. Comprehensive experiments show that BAD outperforms autoregressive and mask-based models in text-to-motion generation, suggesting a novel pre-training strategy for sequence modeling. The codebase for BAD is available on https://github.com/RohollahHS/BAD.

Quantizing the activation, weight, and gradient to 4-bit is promising to accelerate neural network training. However, existing 4-bit training methods require custom numerical formats which are not supported by contemporary hardware. In this work, we propose a training method for transformers with all matrix multiplications implemented with the INT4 arithmetic. Training with an ultra-low INT4 precision is challenging. To achieve this, we carefully analyze the specific structures of activation and gradients in transformers to propose dedicated quantizers for them. For forward propagation, we identify the challenge of outliers and propose a Hadamard quantizer to suppress the outliers. For backpropagation, we leverage the structural sparsity of gradients by proposing bit splitting and leverage score sampling techniques to quantize gradients accurately. Our algorithm achieves competitive accuracy on a wide range of tasks including natural language understanding, machine translation, and image classification. Unlike previous 4-bit training methods, our algorithm can be implemented on the current generation of GPUs. Our prototypical linear operator implementation is up to 2.2 times faster than the FP16 counterparts and speeds up the training by up to 35.1%.

We present a causal speech enhancement model working on the raw waveform that runs in real-time on a laptop CPU. The proposed model is based on an encoder-decoder architecture with skip-connections. It is optimized on both time and frequency domains, using multiple loss functions. Empirical evidence shows that it is capable of removing various kinds of background noise including stationary and non-stationary noises, as well as room reverb. Additionally, we suggest a set of data augmentation techniques applied directly on the raw waveform which further improve model performance and its generalization abilities. We perform evaluations on several standard benchmarks, both using objective metrics and human judgements. The proposed model matches state-of-the-art performance of both causal and non causal methods while working directly on the raw waveform.

We investigate the transformer's capability for in-context learning (ICL) to simulate the training process of deep models. Our key contribution is providing a positive example of using a transformer to train a deep neural network by gradient descent in an implicit fashion via ICL. Specifically, we provide an explicit construction of a (2N+4)L-layer transformer capable of simulating L gradient descent steps of an N-layer ReLU network through ICL. We also give the theoretical guarantees for the approximation within any given error and the convergence of the ICL gradient descent. Additionally, we extend our analysis to the more practical setting using Softmax-based transformers. We validate our findings on synthetic datasets for 3-layer, 4-layer, and 6-layer neural networks. The results show that ICL performance matches that of direct training.

Transformer architecture has shown impressive performance in multiple research domains and has become the backbone of many neural network models. However, there is limited understanding on how it works. In particular, with a simple predictive loss, how the representation emerges from the gradient training dynamics remains a mystery. In this paper, for 1-layer transformer with one self-attention layer plus one decoder layer, we analyze its SGD training dynamics for the task of next token prediction in a mathematically rigorous manner. We open the black box of the dynamic process of how the self-attention layer combines input tokens, and reveal the nature of underlying inductive bias. More specifically, with the assumption (a) no positional encoding, (b) long input sequence, and (c) the decoder layer learns faster than the self-attention layer, we prove that self-attention acts as a discriminative scanning algorithm: starting from uniform attention, it gradually attends more to distinct key tokens for a specific next token to be predicted, and pays less attention to common key tokens that occur across different next tokens. Among distinct tokens, it progressively drops attention weights, following the order of low to high co-occurrence between the key and the query token in the training set. Interestingly, this procedure does not lead to winner-takes-all, but decelerates due to a phase transition that is controllable by the learning rates of the two layers, leaving (almost) fixed token combination. We verify this \emph{scan and snap} dynamics on synthetic and real-world data (WikiText).