Daily Papers

A central challenge in sequence modeling is efficiently handling tasks with extended contexts. While recent state-space models (SSMs) have made significant progress in this area, they often lack input-dependent filtering or require substantial increases in model complexity to handle input variability. We address this gap by introducing S7, a simplified yet powerful SSM that can handle input dependence while incorporating stable reparameterization and specific design choices to dynamically adjust state transitions based on input content, maintaining efficiency and performance. We prove that this reparameterization ensures stability in long-sequence modeling by keeping state transitions well-behaved over time. Additionally, it controls the gradient norm, enabling efficient training and preventing issues like exploding or vanishing gradients. S7 significantly outperforms baselines across various sequence modeling tasks, including neuromorphic event-based datasets, Long Range Arena benchmarks, and various physical and biological time series. Overall, S7 offers a more straightforward approach to sequence modeling without relying on complex, domain-specific inductive biases, achieving significant improvements across key benchmarks.

RL training of multi-turn LLM agents is inherently unstable, and reasoning quality directly determines task performance. Entropy is widely used to track reasoning stability. However, entropy only measures diversity within the same input, and cannot tell whether reasoning actually responds to different inputs. In RAGEN-2, we find that even with stable entropy, models can rely on fixed templates that look diverse but are input-agnostic. We call this template collapse, a failure mode invisible to entropy and all existing metrics. To diagnose this failure, we decompose reasoning quality into within-input diversity (Entropy) and cross-input distinguishability (Mutual Information, MI), and introduce a family of mutual information proxies for online diagnosis. Across diverse tasks, mutual information correlates with final performance much more strongly than entropy, making it a more reliable proxy for reasoning quality. We further explain template collapse with a signal-to-noise ratio (SNR) mechanism. Low reward variance weakens task gradients, letting regularization terms dominate and erase cross-input reasoning differences. To address this, we propose SNR-Aware Filtering to select high-signal prompts per iteration using reward variance as a lightweight proxy. Across planning, math reasoning, web navigation, and code execution, the method consistently improves both input dependence and task performance.

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

This work addresses minimum-weight design of undamped Euler-Bernoulli frame structures under subresonant single-frequency harmonic excitations, focusing on (robust) dynamic compliance and (robust) peak input power with ellipsoidal load uncertainty. We develop a semidefinite reformulation of robust dynamic compliance for subresonant single-frequency excitation and prove its equivalence to robust peak input power. We show that both these response measures admit an exact reformulation as a free-vibration eigenvalue constraint with design-independent mass augmentation, unifying static, dynamic, and modal requirements. Despite the nonconvex polynomial dependence on cross-sectional areas, certified bounds on global minimizers are obtained via the moment-sum-of-squares hierarchy of semidefinite relaxations. Benchmark studies on 10- and 35-segment frames corroborate the theory. For the 10-segment problem, we obtain the global optimum; for the 35-segment frame, we find high-quality locally-optimal designs that substantially improve on the best known one. We further fabricate and experimentally validate an additional design that closely matches the predictions of the model.

Transformer models exhibit in-context learning: the ability to accurately predict the response to a novel query based on illustrative examples in the input sequence. In-context learning contrasts with traditional in-weights learning of query-output relationships. What aspects of the training data distribution and architecture favor in-context vs in-weights learning? Recent work has shown that specific distributional properties inherent in language, such as burstiness, large dictionaries and skewed rank-frequency distributions, control the trade-off or simultaneous appearance of these two forms of learning. We first show that these results are recapitulated in a minimal attention-only network trained on a simplified dataset. In-context learning (ICL) is driven by the abrupt emergence of an induction head, which subsequently competes with in-weights learning. By identifying progress measures that precede in-context learning and targeted experiments, we construct a two-parameter model of an induction head which emulates the full data distributional dependencies displayed by the attention-based network. A phenomenological model of induction head formation traces its abrupt emergence to the sequential learning of three nested logits enabled by an intrinsic curriculum. We propose that the sharp transitions in attention-based networks arise due to a specific chain of multi-layer operations necessary to achieve ICL, which is implemented by nested nonlinearities sequentially learned during training.

We develop a learning-based framework for constructing shrinking disturbance-invariant tubes under state- and input-dependent uncertainty, intended as a building block for tube Model Predictive Control (MPC), and certify safety via a lifted, isotone (order-preserving) fixed-point map. Gaussian Process (GP) posteriors become (1-α) credible ellipsoids, then polytopic outer sets for deterministic set operations. A two-time-scale scheme separates learning epochs, where these polytopes are frozen, from an inner, outside-in iteration that converges to a compact fixed point Z^star!subseteq!mathcal G; its state projection is RPI for the plant. As data accumulate, disturbance polytopes tighten, and the associated tubes nest monotonically, resolving the circular dependence between the set to be verified and the disturbance model while preserving hard constraints. A double-integrator study illustrates shrinking tube cross-sections in data-rich regions while maintaining invariance.

The optimization of multilayer neural networks typically leads to a solution with zero training error, yet the landscape can exhibit spurious local minima and the minima can be disconnected. In this paper, we shed light on this phenomenon: we show that the combination of stochastic gradient descent (SGD) and over-parameterization makes the landscape of multilayer neural networks approximately connected and thus more favorable to optimization. More specifically, we prove that SGD solutions are connected via a piecewise linear path, and the increase in loss along this path vanishes as the number of neurons grows large. This result is a consequence of the fact that the parameters found by SGD are increasingly dropout stable as the network becomes wider. We show that, if we remove part of the neurons (and suitably rescale the remaining ones), the change in loss is independent of the total number of neurons, and it depends only on how many neurons are left. Our results exhibit a mild dependence on the input dimension: they are dimension-free for two-layer networks and depend linearly on the dimension for multilayer networks. We validate our theoretical findings with numerical experiments for different architectures and classification tasks.

Monocular object pose estimation, as a pivotal task in computer vision and robotics, heavily depends on accurate 2D-3D correspondences, which often demand costly CAD models that may not be readily available. Object 3D reconstruction methods offer an alternative, among which recent advancements in 3D Gaussian Splatting (3DGS) afford a compelling potential. Yet its performance still suffers and tends to overfit with fewer input views. Embracing this challenge, we introduce SGPose, a novel framework for sparse view object pose estimation using Gaussian-based methods. Given as few as ten views, SGPose generates a geometric-aware representation by starting with a random cuboid initialization, eschewing reliance on Structure-from-Motion (SfM) pipeline-derived geometry as required by traditional 3DGS methods. SGPose removes the dependence on CAD models by regressing dense 2D-3D correspondences between images and the reconstructed model from sparse input and random initialization, while the geometric-consistent depth supervision and online synthetic view warping are key to the success. Experiments on typical benchmarks, especially on the Occlusion LM-O dataset, demonstrate that SGPose outperforms existing methods even under sparse view constraints, under-scoring its potential in real-world applications.

Music source separation involves a large input field to model a long-term dependence of an audio signal. Previous convolutional neural network (CNN)-based approaches address the large input field modeling using sequentially down- and up-sampling feature maps or dilated convolution. In this paper, we claim the importance of a rapid growth of a receptive field and a simultaneous modeling of multi-resolution data in a single convolution layer, and propose a novel CNN architecture called densely connected dilated DenseNet (D3Net). D3Net involves a novel multi-dilated convolution that has different dilation factors in a single layer to model different resolutions simultaneously. By combining the multi-dilated convolution with DenseNet architecture, D3Net avoids the aliasing problem that exists when we naively incorporate the dilated convolution in DenseNet. Experimental results on MUSDB18 dataset show that D3Net achieves state-of-the-art performance with an average signal to distortion ratio (SDR) of 6.01 dB.

While it is widely known that neural networks are universal approximators of continuous functions, a less known and perhaps more powerful result is that a neural network with a single hidden layer can approximate accurately any nonlinear continuous operator. This universal approximation theorem is suggestive of the potential application of neural networks in learning nonlinear operators from data. However, the theorem guarantees only a small approximation error for a sufficient large network, and does not consider the important optimization and generalization errors. To realize this theorem in practice, we propose deep operator networks (DeepONets) to learn operators accurately and efficiently from a relatively small dataset. A DeepONet consists of two sub-networks, one for encoding the input function at a fixed number of sensors x_i, i=1,dots,m (branch net), and another for encoding the locations for the output functions (trunk net). We perform systematic simulations for identifying two types of operators, i.e., dynamic systems and partial differential equations, and demonstrate that DeepONet significantly reduces the generalization error compared to the fully-connected networks. We also derive theoretically the dependence of the approximation error in terms of the number of sensors (where the input function is defined) as well as the input function type, and we verify the theorem with computational results. More importantly, we observe high-order error convergence in our computational tests, namely polynomial rates (from half order to fourth order) and even exponential convergence with respect to the training dataset size.

The development of generative language models that can create long and coherent textual outputs via autoregression has lead to a proliferation of uses and a corresponding sweep of analyses as researches work to determine the limitations of this new paradigm. Unlike humans, these 'Large Language Models' (LLMs) are highly sensitive to small changes in their inputs, leading to unwanted inconsistency in their behavior. One problematic inconsistency when LLMs are used to answer multiple-choice questions or analyze multiple inputs is order dependency: the output of an LLM can (and often does) change significantly when sub-sequences are swapped, despite both orderings being semantically identical. In this paper we present , a technique that guarantees the output of an LLM will not have order dependence on a specified set of sub-sequences. We show that this method provably eliminates order dependency, and that it can be applied to any transformer-based LLM to enable text generation that is unaffected by re-orderings. Delving into the implications of our method, we show that, despite our inputs being out of distribution, the impact on expected accuracy is small, where the expectation is over the order of uniformly chosen shuffling of the candidate responses, and usually significantly less in practice. Thus, can be used as a 'dropped-in' method on fully trained models. Finally, we discuss how our method's success suggests that other strong guarantees can be obtained on LLM performance via modifying the input representations.

We consider the problem of generalizable novel view synthesis (NVS), which aims to generate photorealistic novel views from sparse or even unposed 2D images without per-scene optimization. This task remains fundamentally challenging, as it requires inferring 3D structure from incomplete and ambiguous 2D observations. Early approaches typically rely on strong 3D knowledge, including architectural 3D inductive biases (e.g., embedding explicit 3D representations, such as NeRF or 3DGS, into network design) and ground-truth camera poses for both input and target views. While recent efforts have sought to reduce the 3D inductive bias or the dependence on known camera poses of input views, critical questions regarding the role of 3D knowledge and the necessity of circumventing its use remain under-explored. In this work, we conduct a systematic analysis on the 3D knowledge and uncover a critical trend: the performance of methods that requires less 3D knowledge accelerates more as data scales, eventually achieving performance on par with their 3D knowledge-driven counterparts, which highlights the increasing importance of reducing dependence on 3D knowledge in the era of large-scale data. Motivated by and following this trend, we propose a novel NVS framework that minimizes 3D inductive bias and pose dependence for both input and target views. By eliminating this 3D knowledge, our method fully leverages data scaling and learns implicit 3D awareness directly from sparse 2D images, without any 3D inductive bias or pose annotation during training. Extensive experiments demonstrate that our model generates photorealistic and 3D-consistent novel views, achieving even comparable performance with methods that rely on posed inputs, thereby validating the feasibility and effectiveness of our data-centric paradigm. Project page: https://pku-vcl-geometry.github.io/Less3Depend/ .

Depression is a critical concern in global mental health, prompting extensive research into AI-based detection methods. Among various AI technologies, Large Language Models (LLMs) stand out for their versatility in mental healthcare applications. However, their primary limitation arises from their exclusive dependence on textual input, which constrains their overall capabilities. Furthermore, the utilization of LLMs in identifying and analyzing depressive states is still relatively untapped. In this paper, we present an innovative approach to integrating acoustic speech information into the LLMs framework for multimodal depression detection. We investigate an efficient method for depression detection by integrating speech signals into LLMs utilizing Acoustic Landmarks. By incorporating acoustic landmarks, which are specific to the pronunciation of spoken words, our method adds critical dimensions to text transcripts. This integration also provides insights into the unique speech patterns of individuals, revealing the potential mental states of individuals. Evaluations of the proposed approach on the DAIC-WOZ dataset reveal state-of-the-art results when compared with existing Audio-Text baselines. In addition, this approach is not only valuable for the detection of depression but also represents a new perspective in enhancing the ability of LLMs to comprehend and process speech signals.

Efficient neural networks are essential for scaling machine learning models to real-time applications and resource-constrained environments. Fully-connected feedforward layers (FFLs) introduce computation and parameter count bottlenecks within neural network architectures. To address this challenge, in this work, we propose a new class of dense layers that generalize standard fully-connected feedforward layers, Efficient, Unified and General dense layers (EUGens). EUGens leverage random features to approximate standard FFLs and go beyond them by incorporating a direct dependence on the input norms in their computations. The proposed layers unify existing efficient FFL extensions and improve efficiency by reducing inference complexity from quadratic to linear time. They also lead to the first unbiased algorithms approximating FFLs with arbitrary polynomial activation functions. Furthermore, EuGens reduce the parameter count and computational overhead while preserving the expressive power and adaptability of FFLs. We also present a layer-wise knowledge transfer technique that bypasses backpropagation, enabling efficient adaptation of EUGens to pre-trained models. Empirically, we observe that integrating EUGens into Transformers and MLPs yields substantial improvements in inference speed (up to 27\%) and memory efficiency (up to 30\%) across a range of tasks, including image classification, language model pre-training, and 3D scene reconstruction. Overall, our results highlight the potential of EUGens for the scalable deployment of large-scale neural networks in real-world scenarios.

This paper proposes a hierarchical generative model with a multi-grained latent variable to synthesize expressive speech. In recent years, fine-grained latent variables are introduced into the text-to-speech synthesis that enable the fine control of the prosody and speaking styles of synthesized speech. However, the naturalness of speech degrades when these latent variables are obtained by sampling from the standard Gaussian prior. To solve this problem, we propose a novel framework for modeling the fine-grained latent variables, considering the dependence on an input text, a hierarchical linguistic structure, and a temporal structure of latent variables. This framework consists of a multi-grained variational autoencoder, a conditional prior, and a multi-level auto-regressive latent converter to obtain the different time-resolution latent variables and sample the finer-level latent variables from the coarser-level ones by taking into account the input text. Experimental results indicate an appropriate method of sampling fine-grained latent variables without the reference signal at the synthesis stage. Our proposed framework also provides the controllability of speaking style in an entire utterance.

While Diffusion Transformers (DiTs) have achieved breakthroughs in video generation, this long sequence generation task remains constrained by the quadratic complexity of attention mechanisms, resulting in significant inference latency. Through detailed analysis of attention maps in Video Diffusion Transformer (vDiT), we identify three recurring sparsity patterns: diagonal, multi-diagonal, and vertical-stripe structures. And even 3-6\% attention heads can be skipped. Crucially, these patterns exhibit strong layer-depth and head-position correlations but show limited dependence on the input content. Leveraging these findings, we propose Sparse-vDiT, a sparsity acceleration framework for vDiT comprising: 1) Pattern-optimized sparse kernels that replace dense attention with computationally efficient implementations for each identified sparsity pattern. 2) An offline sparse diffusion search algorithm that selects the optimal sparse computation strategy per layer and head via hardware-aware cost modeling. After determining the optimal configuration, we fuse heads within the same layer that share the same attention strategy, enhancing inference efficiency. Integrated into state-of-the-art vDiT models (CogVideoX1.5, HunyuanVideo, and Wan2.1), Sparse-vDiT achieves 2.09times, 2.38times, and 1.67times theoretical FLOP reduction, and actual inference speedups of 1.76times, 1.85times, and 1.58times, respectively, while maintaining high visual fidelity, with PSNR values reaching 24.13, 27.09, and 22.59. Our work demonstrates that latent structural sparsity in vDiTs can be systematically exploited for long video synthesis.

In this position paper, we observe that empirical evaluation in Generative AI is at a crisis point since traditional ML evaluation and benchmarking strategies are insufficient to meet the needs of evaluating modern GenAI models and systems. There are many reasons for this, including the fact that these models typically have nearly unbounded input and output spaces, typically do not have a well defined ground truth target, and typically exhibit strong feedback loops and prediction dependence based on context of previous model outputs. On top of these critical issues, we argue that the problems of {\em leakage} and {\em contamination} are in fact the most important and difficult issues to address for GenAI evaluations. Interestingly, the field of AI Competitions has developed effective measures and practices to combat leakage for the purpose of counteracting cheating by bad actors within a competition setting. This makes AI Competitions an especially valuable (but underutilized) resource. Now is time for the field to view AI Competitions as the gold standard for empirical rigor in GenAI evaluation, and to harness and harvest their results with according value.

The ability of an architecture to realize permutations is quite fundamental. For example, Large Language Models need to be able to correctly copy (and perhaps rearrange) parts of the input prompt into the output. Classical universal approximation theorems guarantee the existence of parameter configurations that solve this task but offer no insights into whether gradient-based algorithms can find them. In this paper, we address this gap by focusing on two-layer fully connected feed-forward neural networks and the task of learning permutations on nonzero binary inputs. We show that in the infinite width Neural Tangent Kernel (NTK) regime, an ensemble of such networks independently trained with gradient descent on only the k standard basis vectors out of 2^k - 1 possible inputs successfully learns any fixed permutation of length k with arbitrarily high probability. By analyzing the exact training dynamics, we prove that the network's output converges to a Gaussian process whose mean captures the ground truth permutation via sign-based features. We then demonstrate how averaging these runs (an "ensemble" method) and applying a simple rounding step yields an arbitrarily accurate prediction on any possible input unseen during training. Notably, the number of models needed to achieve exact learning with high probability (which we refer to as ensemble complexity) exhibits a linearithmic dependence on the input size k for a single test input and a quadratic dependence when considering all test inputs simultaneously.

Hierarchical vision transformers (ViTs) have two advantages over conventional ViTs. First, hierarchical ViTs achieve linear computational complexity with respect to image size by local self-attention. Second, hierarchical ViTs create hierarchical feature maps by merging image patches in deeper layers for dense prediction. However, existing pruning methods ignore the unique properties of hierarchical ViTs and use the magnitude value as the weight importance. This approach leads to two main drawbacks. First, the "local" attention weights are compared at a "global" level, which may cause some "locally" important weights to be pruned due to their relatively small magnitude "globally". The second issue with magnitude pruning is that it fails to consider the distinct weight distributions of the network, which are essential for extracting coarse to fine-grained features at various hierarchical levels. To solve the aforementioned issues, we have developed a Data-independent Module-Aware Pruning method (DIMAP) to compress hierarchical ViTs. To ensure that "local" attention weights at different hierarchical levels are compared fairly in terms of their contribution, we treat them as a module and examine their contribution by analyzing their information distortion. Furthermore, we introduce a novel weight metric that is solely based on weights and does not require input images, thereby eliminating the dependence on the patch merging process. Our method validates its usefulness and strengths on Swin Transformers of different sizes on ImageNet-1k classification. Notably, the top-5 accuracy drop is only 0.07% when we remove 52.5% FLOPs and 52.7% parameters of Swin-B. When we reduce 33.2% FLOPs and 33.2% parameters of Swin-S, we can even achieve a 0.8% higher relative top-5 accuracy than the original model. Code is available at: https://github.com/he-y/Data-independent-Module-Aware-Pruning

Vision transformers have delivered tremendous success in representation learning. This is primarily due to effective token mixing through self attention. However, this scales quadratically with the number of pixels, which becomes infeasible for high-resolution inputs. To cope with this challenge, we propose Adaptive Fourier Neural Operator (AFNO) as an efficient token mixer that learns to mix in the Fourier domain. AFNO is based on a principled foundation of operator learning which allows us to frame token mixing as a continuous global convolution without any dependence on the input resolution. This principle was previously used to design FNO, which solves global convolution efficiently in the Fourier domain and has shown promise in learning challenging PDEs. To handle challenges in visual representation learning such as discontinuities in images and high resolution inputs, we propose principled architectural modifications to FNO which results in memory and computational efficiency. This includes imposing a block-diagonal structure on the channel mixing weights, adaptively sharing weights across tokens, and sparsifying the frequency modes via soft-thresholding and shrinkage. The resulting model is highly parallel with a quasi-linear complexity and has linear memory in the sequence size. AFNO outperforms self-attention mechanisms for few-shot segmentation in terms of both efficiency and accuracy. For Cityscapes segmentation with the Segformer-B3 backbone, AFNO can handle a sequence size of 65k and outperforms other efficient self-attention mechanisms.

Deep learning voice models are commonly used nowadays, but the safety processing of personal data, such as human identity and speech content, remains suspicious. To prevent malicious user identification, speaker anonymization methods were proposed. Current methods, particularly based on universal adversarial patch (UAP) applications, have drawbacks such as significant degradation of audio quality, decreased speech recognition quality, low transferability across different voice biometrics models, and performance dependence on the input audio length. To mitigate these drawbacks, in this work, we introduce and leverage the novel Exponential Total Variance (TV) loss function and provide experimental evidence that it positively affects UAP strength and imperceptibility. Moreover, we present a novel scalable UAP insertion procedure and demonstrate its uniformly high performance for various audio lengths.

Transformer-based end-to-end speech recognition has achieved great success. However, the large footprint and computational overhead make it difficult to deploy these models in some real-world applications. Model compression techniques can reduce the model size and speed up inference, but the compressed model has a fixed architecture which might be suboptimal. We propose a novel Transformer encoder with Input-Dependent Dynamic Depth (I3D) to achieve strong performance-efficiency trade-offs. With a similar number of layers at inference time, I3D-based models outperform the vanilla Transformer and the static pruned model via iterative layer pruning. We also present interesting analysis on the gate probabilities and the input-dependency, which helps us better understand deep encoders.

Interpretability researchers have attempted to understand MLP neurons of language models based on both the contexts in which they activate and their output weight vectors. They have paid little attention to a complementary aspect: the interactions between input and output. For example, when neurons detect a direction in the input, they might add much the same direction to the residual stream ("enrichment neurons") or reduce its presence ("depletion neurons"). We address this aspect by examining the cosine similarity between input and output weights of a neuron. We apply our method to 12 models and find that enrichment neurons dominate in early-middle layers whereas later layers tend more towards depletion. To explain this finding, we argue that enrichment neurons are largely responsible for enriching concept representations, one of the first steps of factual recall. Our input-output perspective is a complement to activation-dependent analyses and to approaches that treat input and output separately.

We introduce InstaAug, a method for automatically learning input-specific augmentations from data. Previous methods for learning augmentations have typically assumed independence between the original input and the transformation applied to that input. This can be highly restrictive, as the invariances we hope our augmentation will capture are themselves often highly input dependent. InstaAug instead introduces a learnable invariance module that maps from inputs to tailored transformation parameters, allowing local invariances to be captured. This can be simultaneously trained alongside the downstream model in a fully end-to-end manner, or separately learned for a pre-trained model. We empirically demonstrate that InstaAug learns meaningful input-dependent augmentations for a wide range of transformation classes, which in turn provides better performance on both supervised and self-supervised tasks.

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

Are pairs of words that tend to occur together also likely to stand in a linguistic dependency? This empirical question is motivated by a long history of literature in cognitive science, psycholinguistics, and NLP. In this work we contribute an extensive analysis of the relationship between linguistic dependencies and statistical dependence between words. Improving on previous work, we introduce the use of large pretrained language models to compute contextualized estimates of the pointwise mutual information between words (CPMI). For multiple models and languages, we extract dependency trees which maximize CPMI, and compare to gold standard linguistic dependencies. Overall, we find that CPMI dependencies achieve an unlabelled undirected attachment score of at most approx 0.5. While far above chance, and consistently above a non-contextualized PMI baseline, this score is generally comparable to a simple baseline formed by connecting adjacent words. We analyze which kinds of linguistic dependencies are best captured in CPMI dependencies, and also find marked differences between the estimates of the large pretrained language models, illustrating how their different training schemes affect the type of dependencies they capture.

Batch Normalization is a commonly used trick to improve the training of deep neural networks. These neural networks use L2 regularization, also called weight decay, ostensibly to prevent overfitting. However, we show that L2 regularization has no regularizing effect when combined with normalization. Instead, regularization has an influence on the scale of weights, and thereby on the effective learning rate. We investigate this dependence, both in theory, and experimentally. We show that popular optimization methods such as ADAM only partially eliminate the influence of normalization on the learning rate. This leads to a discussion on other ways to mitigate this issue.

Quantifying the causal influence of input features within neural networks has become a topic of increasing interest. Existing approaches typically assess direct, indirect, and total causal effects. This work treats NNs as structural causal models (SCMs) and extends our focus to include intrinsic causal contributions (ICC). We propose an identifiable generative post-hoc framework for quantifying ICC. We also draw a relationship between ICC and Sobol' indices. Our experiments on synthetic and real-world datasets demonstrate that ICC generates more intuitive and reliable explanations compared to existing global explanation techniques.

In the realm of large language models (LLMs), enhancing instruction-following capability often involves curating expansive training data. This is achieved through two primary schemes: i) Scaling-Inputs: Amplifying (input, output) pairs per task instruction, aiming for better instruction adherence. ii) Scaling Input-Free Tasks: Enlarging tasks, each composed of an (instruction, output) pair (without requiring a separate input anymore). However, LLMs under Scaling-Inputs tend to be overly sensitive to inputs, leading to misinterpretation or non-compliance with instructions. Conversely, Scaling Input-Free Tasks demands a substantial number of tasks but is less effective in instruction following when dealing with instances in Scaling-Inputs. This work introduces MUFFIN, a new scheme of instruction-following dataset curation. Specifically, we automatically Scale Tasks per Input by diversifying these tasks with various input facets. Experimental results across four zero-shot benchmarks, spanning both Scaling-Inputs and Scaling Input-Free Tasks schemes, reveal that LLMs, at various scales, trained on MUFFIN generally demonstrate superior instruction-following capabilities compared to those trained on the two aforementioned schemes.

Neural networks require a careful design in order to perform properly on a given task. In particular, selecting a good activation function (possibly in a data-dependent fashion) is a crucial step, which remains an open problem in the research community. Despite a large amount of investigations, most current implementations simply select one fixed function from a small set of candidates, which is not adapted during training, and is shared among all neurons throughout the different layers. However, neither two of these assumptions can be supposed optimal in practice. In this paper, we present a principled way to have data-dependent adaptation of the activation functions, which is performed independently for each neuron. This is achieved by leveraging over past and present advances on cubic spline interpolation, allowing for local adaptation of the functions around their regions of use. The resulting algorithm is relatively cheap to implement, and overfitting is counterbalanced by the inclusion of a novel damping criterion, which penalizes unwanted oscillations from a predefined shape. Experimental results validate the proposal over two well-known benchmarks.

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

Models of neural responses to stimuli with complex spatiotemporal correlation structure often assume that neurons are only selective for a small number of linear projections of a potentially high-dimensional input. Here we explore recent modeling approaches where the neural response depends on the quadratic form of the input rather than on its linear projection, that is, the neuron is sensitive to the local covariance structure of the signal preceding the spike. To infer this quadratic dependence in the presence of arbitrary (e.g. naturalistic) stimulus distribution, we review several inference methods, focussing in particular on two information-theory-based approaches (maximization of stimulus energy or of noise entropy) and a likelihood-based approach (Bayesian spike-triggered covariance, extensions of generalized linear models). We analyze the formal connection between the likelihood-based and information-based approaches to show how they lead to consistent inference. We demonstrate the practical feasibility of these procedures by using model neurons responding to a flickering variance stimulus.

Given that Transformers are ubiquitous in wide tasks, interpreting their internals is a pivotal issue. Still, their particular components, feed-forward (FF) blocks, have typically been less analyzed despite their substantial parameter amounts. We analyze the input contextualization effects of FF blocks by rendering them in the attention maps as a human-friendly visualization scheme. Our experiments with both masked- and causal-language models reveal that FF networks modify the input contextualization to emphasize specific types of linguistic compositions. In addition, FF and its surrounding components tend to cancel out each other's effects, suggesting potential redundancy in the processing of the Transformer layer.

Recently, channel-independent methods have achieved state-of-the-art performance in multivariate time series (MTS) forecasting. Despite reducing overfitting risks, these methods miss potential opportunities in utilizing channel dependence for accurate predictions. We argue that there exist locally stationary lead-lag relationships between variates, i.e., some lagged variates may follow the leading indicators within a short time period. Exploiting such channel dependence is beneficial since leading indicators offer advance information that can be used to reduce the forecasting difficulty of the lagged variates. In this paper, we propose a new method named LIFT that first efficiently estimates leading indicators and their leading steps at each time step and then judiciously allows the lagged variates to utilize the advance information from leading indicators. LIFT plays as a plugin that can be seamlessly collaborated with arbitrary time series forecasting methods. Extensive experiments on six real-world datasets demonstrate that LIFT improves the state-of-the-art methods by 5.5% in average forecasting performance. Our code is available at https://github.com/SJTU-Quant/LIFT.

Independence testing is a fundamental and classical statistical problem that has been extensively studied in the batch setting when one fixes the sample size before collecting data. However, practitioners often prefer procedures that adapt to the complexity of a problem at hand instead of setting sample size in advance. Ideally, such procedures should (a) allow stopping earlier on easy tasks (and later on harder tasks), hence making better use of available resources, and (b) continuously monitor the data and efficiently incorporate statistical evidence after collecting new data, while controlling the false alarm rate. It is well known that classical batch tests are not tailored for streaming data settings: valid inference after data peeking requires correcting for multiple testing but such corrections generally result in low power. Following the principle of testing by betting, we design sequential kernelized independence tests (SKITs) that overcome such shortcomings. We exemplify our broad framework using bets inspired by kernelized dependence measures, e.g, the Hilbert-Schmidt independence criterion. Our test is valid under non-i.i.d. time-varying settings, for which there exist no batch tests. We demonstrate the power of our approaches on both simulated and real data.

The safety alignment of large language models (LLMs) can be circumvented through adversarially crafted inputs, yet the mechanisms by which these attacks bypass safety barriers remain poorly understood. Prior work suggests that a single refusal direction in the model's activation space determines whether an LLM refuses a request. In this study, we propose a novel gradient-based approach to representation engineering and use it to identify refusal directions. Contrary to prior work, we uncover multiple independent directions and even multi-dimensional concept cones that mediate refusal. Moreover, we show that orthogonality alone does not imply independence under intervention, motivating the notion of representational independence that accounts for both linear and non-linear effects. Using this framework, we identify mechanistically independent refusal directions. We show that refusal mechanisms in LLMs are governed by complex spatial structures and identify functionally independent directions, confirming that multiple distinct mechanisms drive refusal behavior. Our gradient-based approach uncovers these mechanisms and can further serve as a foundation for future work on understanding LLMs.

Humans possess a versatile mechanism for extracting structured representations of our visual world. When looking at an image, we can decompose the scene into entities and their parts as well as obtain the dependencies between them. To mimic such capability, we propose Visual Dependency Transformers (DependencyViT) that can induce visual dependencies without any labels. We achieve that with a novel neural operator called reversed attention that can naturally capture long-range visual dependencies between image patches. Specifically, we formulate it as a dependency graph where a child token in reversed attention is trained to attend to its parent tokens and send information following a normalized probability distribution rather than gathering information in conventional self-attention. With such a design, hierarchies naturally emerge from reversed attention layers, and a dependency tree is progressively induced from leaf nodes to the root node unsupervisedly. DependencyViT offers several appealing benefits. (i) Entities and their parts in an image are represented by different subtrees, enabling part partitioning from dependencies; (ii) Dynamic visual pooling is made possible. The leaf nodes which rarely send messages can be pruned without hindering the model performance, based on which we propose the lightweight DependencyViT-Lite to reduce the computational and memory footprints; (iii) DependencyViT works well on both self- and weakly-supervised pretraining paradigms on ImageNet, and demonstrates its effectiveness on 8 datasets and 5 tasks, such as unsupervised part and saliency segmentation, recognition, and detection.

In this work, we investigate the implicit regularization induced by teacher-student learning dynamics in self-distillation. To isolate its effect, we describe a simple experiment where we consider teachers at random initialization instead of trained teachers. Surprisingly, when distilling a student into such a random teacher, we observe that the resulting model and its representations already possess very interesting characteristics; (1) we observe a strong improvement of the distilled student over its teacher in terms of probing accuracy. (2) The learned representations are data-dependent and transferable between different tasks but deteriorate strongly if trained on random inputs. (3) The student checkpoint contains sparse subnetworks, so-called lottery tickets, and lies on the border of linear basins in the supervised loss landscape. These observations have interesting consequences for several important areas in machine learning: (1) Self-distillation can work solely based on the implicit regularization present in the gradient dynamics without relying on any dark knowledge, (2) self-supervised learning can learn features even in the absence of data augmentation and (3) training dynamics during the early phase of supervised training do not necessarily require label information. Finally, we shed light on an intriguing local property of the loss landscape: the process of feature learning is strongly amplified if the student is initialized closely to the teacher. These results raise interesting questions about the nature of the landscape that have remained unexplored so far. Code is available at https://github.com/safelix/dinopl.

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 recently proposed Forgetting Transformer (FoX) incorporates a forget gate into softmax attention and has shown consistently better or on-par performance compared to the standard RoPE-based Transformer. Notably, many attention heads in FoX tend to forget quickly, causing their output at each timestep to rely primarily on the local context. Based on this observation, we propose Adaptive Computation Pruning (ACP) for FoX, a method that dynamically prunes computations involving input-output dependencies that are strongly decayed by the forget gate. This is achieved using a dynamically set pruning threshold that ensures that the pruned attention weights remain negligible. We apply ACP to language model pretraining with FoX and show it consistently reduces the number of FLOPs in softmax attention by around 70% across different model sizes and context lengths, resulting in a roughly 10% to 35% improvement in training throughput. Furthermore, longer context lengths yield greater computational savings. All these speed improvements are achieved without any performance degradation. We also perform several analyses to provide deeper insights into our method, such as examining the pruning patterns and analyzing the distribution of FLOP savings across different attention heads. Our code is available at https://github.com/zhixuan-lin/arctic-fox.

Predicting the dependencies between observations from multiple time series is critical for applications such as anomaly detection, financial risk management, causal analysis, or demand forecasting. However, the computational and numerical difficulties of estimating time-varying and high-dimensional covariance matrices often limits existing methods to handling at most a few hundred dimensions or requires making strong assumptions on the dependence between series. We propose to combine an RNN-based time series model with a Gaussian copula process output model with a low-rank covariance structure to reduce the computational complexity and handle non-Gaussian marginal distributions. This permits to drastically reduce the number of parameters and consequently allows the modeling of time-varying correlations of thousands of time series. We show on several real-world datasets that our method provides significant accuracy improvements over state-of-the-art baselines and perform an ablation study analyzing the contributions of the different components of our model.

Linear transformation of the inputs alters the training performance of feed-forward networks that are otherwise equivalent. However, most linear transforms are viewed as a pre-processing operation separate from the actual training. Starting from equivalent networks, it is shown that pre-processing inputs using linear transformation are equivalent to multiplying the negative gradient matrix with an autocorrelation matrix per training iteration. Second order method is proposed to find the autocorrelation matrix that maximizes learning in a given iteration. When the autocorrelation matrix is diagonal, the method optimizes input gains. This optimal input gain (OIG) approach is used to improve two first-order two-stage training algorithms, namely back-propagation (BP) and hidden weight optimization (HWO), which alternately update the input weights and solve linear equations for output weights. Results show that the proposed OIG approach greatly enhances the performance of the first-order algorithms, often allowing them to rival the popular Levenberg-Marquardt approach with far less computation. It is shown that HWO is equivalent to BP with Whitening transformation applied to the inputs. HWO effectively combines Whitening transformation with learning. Thus, OIG improved HWO could be a significant building block to more complex deep learning architectures.

Autoregressive models have emerged as a powerful approach for visual generation but suffer from slow inference speed due to their sequential token-by-token prediction process. In this paper, we propose a simple yet effective approach for parallelized autoregressive visual generation that improves generation efficiency while preserving the advantages of autoregressive modeling. Our key insight is that parallel generation depends on visual token dependencies-tokens with weak dependencies can be generated in parallel, while strongly dependent adjacent tokens are difficult to generate together, as their independent sampling may lead to inconsistencies. Based on this observation, we develop a parallel generation strategy that generates distant tokens with weak dependencies in parallel while maintaining sequential generation for strongly dependent local tokens. Our approach can be seamlessly integrated into standard autoregressive models without modifying the architecture or tokenizer. Experiments on ImageNet and UCF-101 demonstrate that our method achieves a 3.6x speedup with comparable quality and up to 9.5x speedup with minimal quality degradation across both image and video generation tasks. We hope this work will inspire future research in efficient visual generation and unified autoregressive modeling. Project page: https://epiphqny.github.io/PAR-project.

Neural networks often suffer from catastrophic interference (CI): performance on previously learned tasks drops off significantly when learning a new task. This contrasts strongly with humans, who can sequentially learn new tasks without appreciably forgetting previous tasks. Prior work has explored various techniques for mitigating CI such as regularization, rehearsal, generative replay, and distillation methods. The current work takes a different approach, one guided by cognitive science research showing that in naturalistic environments, the probability of encountering a task decreases as a power-law of the time since it was last performed. We argue that a realistic evaluation of techniques for the mitigation of CI should be performed in simulated naturalistic learning environments. Thus, we evaluate the extent of mitigation of CI when training simple rehearsal-based methods in power-law environments similar to the ones humans face. Our work explores this novel rehearsal-based approach for a domain-incremental task: learning permutations in the MNIST task. We compare our rehearsal environment with other baselines to show its efficacy in promoting continual learning. Additionally, we investigate whether this environment shows forward facilitation, i.e., faster learning of later tasks. Next, we explore the robustness of our learning environment to the number of tasks, model size, and amount of data rehearsed after each task. Notably, our results show that the performance is comparable or superior to that of models trained using popular regularization methods and also to rehearsals in non-power-law environments. The benefits of this training paradigm include simplicity and the lack of a need for extra neural circuitry. In addition, because our method is orthogonal to other methods, future research can combine training in power-law environments with other continual learning mechanisms.

To fully understand the behavior of a large language model (LLM) requires our understanding of its input space. If this input space differs from our assumption, our understanding of and conclusions about the LLM is likely flawed, regardless of its architecture. Here, we elucidate the structure of the token embeddings, the input domain for LLMs, both empirically and theoretically. We present a generalized and statistically testable model where the neighborhood of each token splits into well-defined signal and noise dimensions. This model is based on a generalization of a manifold called a fiber bundle, so we denote our hypothesis test as the ``fiber bundle null.'' Failing to reject the null is uninformative, but rejecting it at a specific token indicates that token has a statistically significant local structure, and so is of interest to us. By running our test over several open-source LLMs, each with unique token embeddings, we find that the null is frequently rejected, and so the token subspace is provably not a fiber bundle and hence also not a manifold. As a consequence of our findings, when an LLM is presented with two semantically equivalent prompts, and if one prompt contains a token implicated by our test, that prompt will likely exhibit more output variability proportional to the local signal dimension of the token.

Without writing a single line of code by a human, an example Monte Carlo simulation based application for stochastic dependence modeling with copulas is developed using a state-of-the-art large language model (LLM) fine-tuned for conversations. This includes interaction with ChatGPT in natural language and using mathematical formalism, which, under careful supervision by a human-expert, led to producing a working code in MATLAB, Python and R for sampling from a given copula model, evaluation of the model's density, performing maximum likelihood estimation, optimizing the code for parallel computing for CPUs as well as for GPUs, and visualization of the computed results. In contrast to other emerging studies that assess the accuracy of LLMs like ChatGPT on tasks from a selected area, this work rather investigates ways how to achieve a successful solution of a standard statistical task in a collaboration of a human-expert and artificial intelligence (AI). Particularly, through careful prompt engineering, we separate successful solutions generated by ChatGPT from unsuccessful ones, resulting in a comprehensive list of related pros and cons. It is demonstrated that if the typical pitfalls are avoided, we can substantially benefit from collaborating with an AI partner. For example, we show that if ChatGPT is not able to provide a correct solution due to a lack of or incorrect knowledge, the human-expert can feed it with the correct knowledge, e.g., in the form of mathematical theorems and formulas, and make it to apply the gained knowledge in order to provide a solution that is correct. Such ability presents an attractive opportunity to achieve a programmed solution even for users with rather limited knowledge of programming techniques.

Gradients can be employed for sensitivity analysis. Here, we leverage the advantages of the Loss Landscape to comprehend which independent variables impact the dependent variable. We seek to grasp the loss landscape by utilizing first, second, and third derivatives through automatic differentiation. we know that Spearman's rank correlation coefficient can detect the monotonic relationship between two variables. However, I have found that second-order gradients, with certain configurations and parameters, provide information that can be visualized similarly to Spearman results, In this approach, we incorporate a loss function with an activation function, resulting in a non-linear pattern. Each exploration of the loss landscape through retraining yields new valuable information. Furthermore, the first and third derivatives are also beneficial, as they indicate the extent to which independent variables influence the dependent variable.

Modern Language Models (LMs) owe much of their success to masked causal attention, the backbone of Generative Pre-Trained Transformer (GPT) models. Although GPTs can process the entire user prompt at once, the causal masking is applied to all input tokens step-by-step, mimicking the generation process. This imposes an unnecessary constraint during the initial "prefill" phase when the model processes the input prompt and generates the internal representations before producing any output tokens. In this work, attention is masked based on the known block structure at the prefill phase, followed by the conventional token-by-token autoregressive process after that. For example, in a typical chat prompt, the system prompt is treated as one block, and the user prompt as the next one. Each of these is treated as a unit for the purpose of masking, such that the first tokens in each block can access the subsequent tokens in a non-causal manner. Then, the model answer is generated in the conventional causal manner. This Segment-by-Segment scheme entails no additional computational overhead. When integrating it into models such as Llama and Qwen, state-of-the-art performance is consistently achieved.

As large language models (LLMs) become increasingly prevalent, reliable methods for detecting AI-generated text are critical for mitigating potential risks. We introduce DependencyAI, a simple and interpretable approach for detecting AI-generated text using only the labels of linguistic dependency relations. Our method achieves competitive performance across monolingual, multi-generator, and multilingual settings. To increase interpretability, we analyze feature importance to reveal syntactic structures that distinguish AI-generated from human-written text. We also observe a systematic overprediction of certain models on unseen domains, suggesting that generator-specific writing styles may affect cross-domain generalization. Overall, our results demonstrate that dependency relations alone provide a robust signal for AI-generated text detection, establishing DependencyAI as a strong linguistically grounded, interpretable, and non-neural network baseline.

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.

Through using only a well-trained classifier, model-inversion (MI) attacks can recover the data used for training the classifier, leading to the privacy leakage of the training data. To defend against MI attacks, previous work utilizes a unilateral dependency optimization strategy, i.e., minimizing the dependency between inputs (i.e., features) and outputs (i.e., labels) during training the classifier. However, such a minimization process conflicts with minimizing the supervised loss that aims to maximize the dependency between inputs and outputs, causing an explicit trade-off between model robustness against MI attacks and model utility on classification tasks. In this paper, we aim to minimize the dependency between the latent representations and the inputs while maximizing the dependency between latent representations and the outputs, named a bilateral dependency optimization (BiDO) strategy. In particular, we use the dependency constraints as a universally applicable regularizer in addition to commonly used losses for deep neural networks (e.g., cross-entropy), which can be instantiated with appropriate dependency criteria according to different tasks. To verify the efficacy of our strategy, we propose two implementations of BiDO, by using two different dependency measures: BiDO with constrained covariance (BiDO-COCO) and BiDO with Hilbert-Schmidt Independence Criterion (BiDO-HSIC). Experiments show that BiDO achieves the state-of-the-art defense performance for a variety of datasets, classifiers, and MI attacks while suffering a minor classification-accuracy drop compared to the well-trained classifier with no defense, which lights up a novel road to defend against MI attacks.

Understanding the interplay between intra-modality dependencies (the contribution of an individual modality to a target task) and inter-modality dependencies (the relationships between modalities and the target task) is fundamental to advancing multi-modal learning. However, the nature of and interaction between these dependencies within current benchmark evaluations remains poorly characterized. In this work, we present a large-scale empirical study to quantify these dependencies across 23 visual question-answering benchmarks using multi-modal large language models (MLLMs) covering domains such as general and expert knowledge reasoning, optical character recognition, and document understanding. Our findings show that the reliance on vision, question (text), and their interaction varies significantly, both across and within benchmarks. We discover that numerous benchmarks intended to mitigate text-only biases have inadvertently amplified image-only dependencies. This characterization persists across model sizes and types, with models often obtaining high performance by using each modality independently and showing limited dependence on their interaction. We provide a quantitative characterization of multi-modal datasets, enabling a principled approach to multi-modal benchmark design and evaluation.

Recent work in mechanistic interpretability has shown that behaviors in language models can be successfully reverse-engineered through circuit analysis. A common criticism, however, is that each circuit is task-specific, and thus such analysis cannot contribute to understanding the models at a higher level. In this work, we present evidence that insights (both low-level findings about specific heads and higher-level findings about general algorithms) can indeed generalize across tasks. Specifically, we study the circuit discovered in Wang et al. (2022) for the Indirect Object Identification (IOI) task and 1.) show that it reproduces on a larger GPT2 model, and 2.) that it is mostly reused to solve a seemingly different task: Colored Objects (Ippolito & Callison-Burch, 2023). We provide evidence that the process underlying both tasks is functionally very similar, and contains about a 78% overlap in in-circuit attention heads. We further present a proof-of-concept intervention experiment, in which we adjust four attention heads in middle layers in order to 'repair' the Colored Objects circuit and make it behave like the IOI circuit. In doing so, we boost accuracy from 49.6% to 93.7% on the Colored Objects task and explain most sources of error. The intervention affects downstream attention heads in specific ways predicted by their interactions in the IOI circuit, indicating that this subcircuit behavior is invariant to the different task inputs. Overall, our results provide evidence that it may yet be possible to explain large language models' behavior in terms of a relatively small number of interpretable task-general algorithmic building blocks and computational components.

Despite their impressive performance, large language models (LMs) still struggle with reliably generating complex output structures when not finetuned to follow the required output format exactly. To address this issue, grammar-constrained decoding (GCD) can be used to control the generation of LMs, guaranteeing that the output follows a given structure. Most existing GCD methods are, however, limited to specific tasks, such as parsing or code generation. In this work, we demonstrate that formal grammars can describe the output space for a much wider range of tasks and argue that GCD can serve as a unified framework for structured NLP tasks in general. For increased flexibility, we introduce input-dependent grammars, which allow the grammar to depend on the input and thus enable the generation of different output structures for different inputs. We then empirically demonstrate the power and flexibility of GCD-enhanced LMs on (1) information extraction, (2) entity disambiguation, and (3) constituency parsing. Our results indicate that grammar-constrained LMs substantially outperform unconstrained LMs or even beat task-specific finetuned models. Grammar constraints thus hold great promise for harnessing off-the-shelf LMs for a wide range of structured NLP tasks, especially where training data is scarce or finetuning is expensive. Code and data: https://github.com/epfl-dlab/GCD.

Reasoning from sequences of raw sensory data is a ubiquitous problem across fields ranging from medical devices to robotics. These problems often involve using long sequences of raw sensor data (e.g. magnetometers, piezoresistors) to predict sequences of desirable physical quantities (e.g. force, inertial measurements). While classical approaches are powerful for locally-linear prediction problems, they often fall short when using real-world sensors. These sensors are typically non-linear, are affected by extraneous variables (e.g. vibration), and exhibit data-dependent drift. For many problems, the prediction task is exacerbated by small labeled datasets since obtaining ground-truth labels requires expensive equipment. In this work, we present Hierarchical State-Space Models (HiSS), a conceptually simple, new technique for continuous sequential prediction. HiSS stacks structured state-space models on top of each other to create a temporal hierarchy. Across six real-world sensor datasets, from tactile-based state prediction to accelerometer-based inertial measurement, HiSS outperforms state-of-the-art sequence models such as causal Transformers, LSTMs, S4, and Mamba by at least 23% on MSE. Our experiments further indicate that HiSS demonstrates efficient scaling to smaller datasets and is compatible with existing data-filtering techniques. Code, datasets and videos can be found on https://hiss-csp.github.io.

Sequential dependencies present a fundamental bottleneck in deploying large-scale autoregressive models, particularly for real-time applications. While traditional optimization approaches like pruning and quantization often compromise model quality, recent advances in generation-refinement frameworks demonstrate that this trade-off can be significantly mitigated. This survey presents a comprehensive taxonomy of generation-refinement frameworks, analyzing methods across autoregressive sequence tasks. We categorize methods based on their generation strategies (from simple n-gram prediction to sophisticated draft models) and refinement mechanisms (including single-pass verification and iterative approaches). Through systematic analysis of both algorithmic innovations and system-level implementations, we examine deployment strategies across computing environments and explore applications spanning text, images, and speech generation. This systematic examination of both theoretical frameworks and practical implementations provides a foundation for future research in efficient autoregressive decoding.

Coopetition refers to simultaneous cooperation and competition among actors wherein actors 'cooperate to grow the pie and compete to split it up.' Modern socio-technical systems are characterized by strategic coopetition wherein actors concomitantly cooperate to create value and compete to capture it. While conceptual modeling languages such as i* provide rich qualitative representations of strategic dependencies, they lack mechanisms for quantitative analysis of dynamic trade-offs. Conversely, classical game theory offers mathematical rigor but strips away contextual richness. This report bridges this gap by developing computational foundations that formalize two critical dimensions of coopetition: interdependence and complementarity. We ground interdependence in i* structural dependency analysis, translating depender-dependee-dependum relationships into quantitative interdependence coefficients via a structured translation framework. We formalize complementarity following Brandenburger and Nalebuff's Added Value concept, modeling synergistic value creation with validated parameterization. We integrate structural dependencies with bargaining power in value appropriation and introduce a game-theoretic formulation where Nash Equilibrium incorporates structural interdependence. Validation combines over 22,000 experimental trials across power and logarithmic specifications with the Samsung-Sony S-LCD joint venture (2004-2011). Under strict historical alignment scoring, logarithmic specifications achieve 58/60 compared to power functions (46/60), producing realistic 41% cooperation increases aligning with documented S-LCD patterns while power functions produce 166% increases exceeding realistic bounds. Statistical significance confirmed at p < 0.001, Cohen's d > 9.

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 the gradients of a maxout network with respect to inputs and parameters and obtain bounds for the moments depending on the architecture and the parameter distribution. We observe that the distribution of the input-output Jacobian depends on the input, which complicates a stable parameter initialization. Based on the moments of the gradients, we formulate parameter initialization strategies that avoid vanishing and exploding gradients in wide networks. Experiments with deep fully-connected and convolutional networks show that this strategy improves SGD and Adam training of deep maxout networks. In addition, we obtain refined bounds on the expected number of linear regions, results on the expected curve length distortion, and results on the NTK.

Information retrieval in Large Language Models (LLMs) is increasingly recognized as intertwined with generation capabilities rather than mere lookup. While longer contexts are often assumed to improve retrieval, the effects of intra-context interference remain understudied. To address this, we adapt the proactive interference (PI) paradigm from cognitive science, where earlier information disrupts recall of newer updates. In humans, susceptibility to such interference is inversely linked to working memory capacity. We introduce PI-LLM, an evaluation that sequentially streams semantically related key-value updates and queries only the final values. Although these final values are clearly positioned just before the query, LLM retrieval accuracy declines log-linearly toward zero as interference accumulates; errors arise from retrieving previously overwritten values. Attempts to mitigate interference via prompt engineering (e.g., instructing models to ignore earlier input) yield limited success. These findings reveal a fundamental constraint on LLMs' ability to disentangle interference and flexibly manipulate information, suggesting a working memory bottleneck beyond mere context access. This calls for approaches that strengthen models' ability to suppress irrelevant content during retrieval.

In theoretical neuroscience, recent work leverages deep learning tools to explore how some network attributes critically influence its learning dynamics. Notably, initial weight distributions with small (resp. large) variance may yield a rich (resp. lazy) regime, where significant (resp. minor) changes to network states and representation are observed over the course of learning. However, in biology, neural circuit connectivity could exhibit a low-rank structure and therefore differs markedly from the random initializations generally used for these studies. As such, here we investigate how the structure of the initial weights -- in particular their effective rank -- influences the network learning regime. Through both empirical and theoretical analyses, we discover that high-rank initializations typically yield smaller network changes indicative of lazier learning, a finding we also confirm with experimentally-driven initial connectivity in recurrent neural networks. Conversely, low-rank initialization biases learning towards richer learning. Importantly, however, as an exception to this rule, we find lazier learning can still occur with a low-rank initialization that aligns with task and data statistics. Our research highlights the pivotal role of initial weight structures in shaping learning regimes, with implications for metabolic costs of plasticity and risks of catastrophic forgetting.

Spurious correlations allow flexible models to predict well during training but poorly on related test distributions. Recent work has shown that models that satisfy particular independencies involving correlation-inducing nuisance variables have guarantees on their test performance. Enforcing such independencies requires nuisances to be observed during training. However, nuisances, such as demographics or image background labels, are often missing. Enforcing independence on just the observed data does not imply independence on the entire population. Here we derive mmd estimators used for invariance objectives under missing nuisances. On simulations and clinical data, optimizing through these estimates achieves test performance similar to using estimators that make use of the full data.

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

Understanding the abilities of LLMs to reason about natural language plans, such as instructional text and recipes, is critical to reliably using them in decision-making systems. A fundamental aspect of plans is the temporal order in which their steps needs to be executed, which reflects the underlying causal dependencies between them. We introduce CaT-Bench, a benchmark of Step Order Prediction questions, which test whether a step must necessarily occur before or after another in cooking recipe plans. We use this to evaluate how well frontier LLMs understand causal and temporal dependencies. We find that SOTA LLMs are underwhelming (best zero-shot is only 0.59 in F1), and are biased towards predicting dependence more often, perhaps relying on temporal order of steps as a heuristic. While prompting for explanations and using few-shot examples improve performance, the best F1 result is only 0.73. Further, human evaluation of explanations along with answer correctness show that, on average, humans do not agree with model reasoning. Surprisingly, we also find that explaining after answering leads to better performance than normal chain-of-thought prompting, and LLM answers are not consistent across questions about the same step pairs. Overall, results show that LLMs' ability to detect dependence between steps has significant room for improvement.

Standard methods for detecting discontinuities in conditional means are not applicable to outcomes that are complex, non-Euclidean objects like distributions, networks, or covariance matrices. This article develops a nonparametric test for jumps in conditional means when outcomes lie in a non-Euclidean metric space. Using local Fr\'echet regressionx2014which generalizes standard regression to metric-space valued datax2014the method estimates a mean path on either side of a candidate cutoff, extending existing k-sample tests to a flexible regression setting. Key theoretical contributions include a central limit theorem for the local estimator of the conditional Fr\'echet variance and the asymptotic validity and consistency of the proposed test. Simulations confirm nominal size control and robust power in finite samples. Two applications demonstrate the method's value by revealing effects invisible to scalar-based tests. First, I detect a sharp change in work-from-home compositions at Washington State's income threshold for non-compete enforceability during COVID-19, highlighting remote work's role as a bargaining margin. Second, I find that countries restructure their input-output networks after losing preferential US trade access. These findings underscore that analyzing regression functions within their native metric spaces can reveal structural discontinuities that scalar summaries would miss.

Many recent works have discussed the propensity, or lack thereof, for emergent languages to exhibit properties of natural languages. A favorite in the literature is learning compositionality. We note that most of those works have focused on communicative bandwidth as being of primary importance. While important, it is not the only contributing factor. In this paper, we investigate the learning biases that affect the efficacy and compositionality of emergent languages. Our foremost contribution is to explore how capacity of a neural network impacts its ability to learn a compositional language. We additionally introduce a set of evaluation metrics with which we analyze the learned languages. Our hypothesis is that there should be a specific range of model capacity and channel bandwidth that induces compositional structure in the resulting language and consequently encourages systematic generalization. While we empirically see evidence for the bottom of this range, we curiously do not find evidence for the top part of the range and believe that this is an open question for the community.

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".

Sparse Autoencoders (SAEs) have been proposed as an unsupervised approach to learn a decomposition of a model's latent space. This enables useful applications such as steering - influencing the output of a model towards a desired concept - without requiring labeled data. Current methods identify SAE features to steer by analyzing the input tokens that activate them. However, recent work has highlighted that activations alone do not fully describe the effect of a feature on the model's output. In this work, we draw a distinction between two types of features: input features, which mainly capture patterns in the model's input, and output features, which have a human-understandable effect on the model's output. We propose input and output scores to characterize and locate these types of features, and show that high values for both scores rarely co-occur in the same features. These findings have practical implications: after filtering out features with low output scores, we obtain 2-3x improvements when steering with SAEs, making them competitive with supervised methods.

We study empirical scaling laws for language model performance on the cross-entropy loss. The loss scales as a power-law with model size, dataset size, and the amount of compute used for training, with some trends spanning more than seven orders of magnitude. Other architectural details such as network width or depth have minimal effects within a wide range. Simple equations govern the dependence of overfitting on model/dataset size and the dependence of training speed on model size. These relationships allow us to determine the optimal allocation of a fixed compute budget. Larger models are significantly more sample-efficient, such that optimally compute-efficient training involves training very large models on a relatively modest amount of data and stopping significantly before convergence.

Practitioners prune neural networks for efficiency gains and generalization improvements, but few scrutinize the factors determining the prunability of a neural network the maximum fraction of weights that pruning can remove without compromising the model's test accuracy. In this work, we study the properties of input data that may contribute to the prunability of a neural network. For high dimensional input data such as images, text, and audio, the manifold hypothesis suggests that these high dimensional inputs approximately lie on or near a significantly lower dimensional manifold. Prior work demonstrates that the underlying low dimensional structure of the input data may affect the sample efficiency of learning. In this paper, we investigate whether the low dimensional structure of the input data affects the prunability of a neural network.

Via thousands of papers in Explainable AI (XAI), attention maps vaswani2017attention and feature attribution maps bansal2020sam have been established as a common means for explaining the input features that are important to AI's decisions. It is an interesting but unexplored question whether allowing users to edit the importance scores of input features at test time would improve the human-AI team's accuracy on downstream tasks. In this paper, we address this question by taking CHM-Corr, a state-of-the-art, ante-hoc explanation method taesiri2022visual that first predicts patch-wise correspondences between the input and the training-set images, and then uses them to make classification decisions. We build an interactive interface on top of CHM-Corr, enabling users to directly edit the initial feature attribution map provided by CHM-Corr. Via our CHM-Corr++ interface, users gain insights into if, when, and how the model changes its outputs, enhancing understanding beyond static explanations. Our user study with 18 machine learning researchers who performed sim1,400 decisions shows that our interactive approach does not improve user accuracy on CUB-200 bird image classification over static explanations. This challenges the belief that interactivity inherently boosts XAI effectiveness~sokol2020one,sun2022exploring,shen2024towards,singh2024rethinking,mindlin2024beyond,lakkaraju2022rethinking,cheng2019explaining,liu2021understanding and raises needs for future research. Our work contributes to the field by open-sourcing an interactive tool for manipulating model attention, and it lays the groundwork for future research to enable effective human-AI interaction in computer vision. We release code and data on https://anonymous.4open.science/r/CHMCorrPlusPlus/{github}. Our interface are available http://137.184.82.109:7080/{here}.

We develop a data-driven information-theoretic framework for sharp partial identification of causal effects under unmeasured confounding. Existing approaches often rely on restrictive assumptions, such as bounded or discrete outcomes; require external inputs (for example, instrumental variables, proxies, or user-specified sensitivity parameters); necessitate full structural causal model specifications; or focus solely on population-level averages while neglecting covariate-conditional effects. We overcome all four limitations simultaneously by establishing novel information-theoretic, data-driven divergence bounds. Our key theoretical contribution shows that the f-divergence between the observational distribution P(Y | A = a, X = x) and the interventional distribution P(Y | do(A = a), X = x) is upper bounded by a function of the propensity score alone. This result enables sharp partial identification of conditional causal effects directly from observational data, without requiring external sensitivity parameters, auxiliary variables, full structural specifications, or outcome boundedness assumptions. For practical implementation, we develop a semiparametric estimator satisfying Neyman orthogonality (Chernozhukov et al., 2018), which ensures root-n consistent inference even when nuisance functions are estimated via flexible machine learning methods. Simulation studies and real-world data applications, implemented in the GitHub repository (https://github.com/yonghanjung/Information-Theretic-Bounds), demonstrate that our framework provides tight and valid causal bounds across a wide range of data-generating processes.

Self-attention is usually described as a flexible, content-adaptive way to mix a token with information from its past. We reinterpret causal self-attention transformers, the backbone of modern foundation models, within a probabilistic framework, much as classical PCA is extended to probabilistic PCA. This reformulation reveals a key structural consequence of the underlying change of variables: a barrier constraint emerges on the parameters of self-attention. The resulting geometry exposes a degeneracy boundary where the attention-induced mapping becomes locally ill-conditioned, yielding a stability-margin interpretation analogous to the margin in support vector machines. This, in turn, naturally gives rise to the concept of support tokens. We further show that causal transformers define a consistent stochastic process over infinite token sequences, providing a rigorous probabilistic foundation for sequence modeling. Building on this view, we derive a Bayesian MAP training objective that requires only a minimal modification to standard LLM training: adding a smooth log-barrier penalty to the usual cross-entropy loss. Empirically, the resulting training objective improves robustness to input perturbations and sharpens the margin geometry of the learned representations without sacrificing out-of-sample accuracy.

While explicit positional encodings such as RoPE are a primary source of positional information in Transformer decoders, the causal mask also provides positional information. In this work, we prove that the causal mask can induce position-dependent patterns in attention scores, even without parameters or causal dependency in the input. Our theoretical analysis indicates that the induced attention pattern tends to favor nearby query-key pairs, mirroring the behavior of common positional encodings. Empirical analysis confirms that trained models exhibit the same behavior, with learned parameters further amplifying these patterns. Notably, we found that the interaction of causal mask and RoPE distorts RoPE's relative attention score patterns into non-relative ones. We consistently observed this effect in modern large language models, suggesting the importance of considering the causal mask as a source of positional information alongside explicit positional encodings.

Exposing meaningful and interpretable neural interactions is critical to understanding neural circuits. Inferred neural interactions from neural signals primarily reflect functional interactions. In a long experiment, subject animals may experience different stages defined by the experiment, stimuli, or behavioral states, and hence functional interactions can change over time. To model dynamically changing functional interactions, prior work employs state-switching generalized linear models with hidden Markov models (i.e., HMM-GLMs). However, we argue they lack biological plausibility, as functional interactions are shaped and confined by the underlying anatomical connectome. Here, we propose a novel prior-informed state-switching GLM. We introduce both a Gaussian prior and a one-hot prior over the GLM in each state. The priors are learnable. We will show that the learned prior should capture the state-constant interaction, shedding light on the underlying anatomical connectome and revealing more likely physical neuron interactions. The state-dependent interaction modeled by each GLM offers traceability to capture functional variations across multiple brain states. Our methods effectively recover true interaction structures in simulated data, achieve the highest predictive likelihood with real neural datasets, and render interaction structures and hidden states more interpretable when applied to real neural data.

Humans have the ability to adapt the type of information they use, the procedure they employ, and the amount of time they spend when solving problems. However, most standard neural networks have a fixed function type and computation budget regardless of the sample's nature or difficulty. Adaptivity is a powerful paradigm as it not only imbues practitioners with flexibility pertaining to the downstream usage of these models but can also serve as a powerful inductive bias for solving certain challenging classes of problems. In this work, we introduce a new approach called AdaTape, which allows for dynamic computation in neural networks through adaptive tape tokens. AdaTape utilizes an elastic input sequence by equipping an architecture with a dynamic read-and-write tape. Specifically, we adaptively generate input sequences using tape tokens obtained from a tape bank which can be either trainable or derived from input data. We examine the challenges and requirements to obtain dynamic sequence content and length, and propose the Adaptive Tape Reading (ATR) algorithm to achieve both goals. Through extensive experiments on image recognition tasks, we show that AdaTape can achieve better performance while maintaining the computational cost. To facilitate further research, we have released code at https://github.com/google-research/scenic.

The traditional i.i.d.-based learning paradigm faces inherent challenges in addressing causal relationships, which has become increasingly evident with the rise of applications in causal representation learning. Our understanding of causality naturally requires a perspective as the creator rather than observer, as the ``what...if'' questions only hold within the possible world we conceive. The traditional perspective limits capturing dynamic causal outcomes and leads to compensatory efforts such as the reliance on hidden confounders. This paper lays the groundwork for the new perspective, which enables the relation-first modeling paradigm for causality. Also, it introduces the Relation-Indexed Representation Learning (RIRL) as a practical implementation, supported by experiments that validate its efficacy.

This paper explores the relationship between the condition number of a neural network's weight tensor and the extent of information encoded by the associated processing unit, viewed through the lens of information theory. It argues that a high condition number, though not sufficient for effective knowledge encoding, may indicate that the unit has learned to selectively amplify and compress information. This intuition is formalized for linear units with Gaussian inputs, linking the condition number and the transformation's log-volume scaling factor to the characteristics of the output entropy and the geometric properties of the learned transformation. The analysis demonstrates that for a fixed weight norm, a concentrated distribution of singular values (high condition number) corresponds to reduced overall information transfer, indicating a specialized and efficient encoding strategy. Furthermore, the linear stage entropy bound provides an upper limit on post-activation information for contractive, element-wise nonlinearities, supporting the condition number as a scale-invariant proxy for encoding capacity in practical neural networks. An empirical case study applies these principles to guide selective fine-tuning of Large Language Models for both a new task and a new input modality. The experiments show that the proposed method, named KappaTune, effectively mitigates catastrophic forgetting. Unlike many existing catastrophic forgetting mitigation methods that rely on access to pre-training statistics, which are often unavailable, this selective fine-tuning approach offers a way to bypass this common requirement.

Many current NLP systems are built from language models trained to optimize unsupervised objectives on large amounts of raw text. Under what conditions might such a procedure acquire meaning? Our systematic experiments with synthetic data reveal that, with languages where all expressions have context-independent denotations (i.e., languages with strong transparency), both autoregressive and masked language models successfully learn to emulate semantic relations between expressions. However, when denotations are changed to be context-dependent with the language otherwise unmodified, this ability degrades. Turning to natural language, our experiments with a specific phenomenon -- referential opacity -- add to the growing body of evidence that current language models do not represent natural language semantics well. We show this failure relates to the context-dependent nature of natural language form-meaning mappings.

While transformers achieve strong performance, their internal decision-making processes remain opaque. We investigate whether architectural constraints can enforce interpretability by design through architectural stream independence: maintaining a token stream (carrying symbolic structure) and contextual semantics in separated streams that remain independently observable throughout processing, with integration delayed until output. We validate this principle through the Late Fusion Architecture (LFA), which demonstrates interpretable symbolic heads through all the final layers, while standard transformers show dissolution by the third of six layers; we quantify this effect by introducing the Token-Position Dependence Score (PDS), with PDS_{max} = 0.276 and 0.058, respectively. Crucially, intervention experiments demonstrate functional modularity: suppressing LFA's recency heads causes minimal semantic damage (Cohen's d = -0.158) versus catastrophic entanglement in baselines (d = -0.672). LFA demonstrates that architectural constraints improve underlying learning mechanisms, averaging 42% stability versus 19% and 11% for baseline comparisons, with extremes from 50% on LFA's best pairs (6 of 12 heads position-invariant) down to 0% complete collapse in over-constrained cases. By preventing premature entanglement, architectural independence steers models toward semantic understanding over positional heuristics, establishing interpretability as an architectural design criterion enforceable through structural constraints rather than post-hoc analysis.

Existing evaluation methods largely rely on clean, static benchmarks, which can overestimate true model performance by failing to capture the noise and variability inherent in real-world user inputs. This is especially true for language models, which can face human-generated text queries containing mistakes, typos, or alternative ways of phrasing the same question. In this work, we introduce a theoretical framework for quantifying model sensitivity to prompt variants, or brittleness, that can enable us to disentangle data-induced difficulty from prompt-related variability. Using this framework, we design a novel evaluation pipeline, Brittlebench, to holistically evaluate the sensitivity of frontier models. We apply semantics-preserving perturbations to a suite of popular benchmarks, and observe model performance to degrade as much as 12%. However, these perturbations do not affect all models equally: even a single perturbation alters the relative ranking of models in 63% of cases, impacting conclusions about comparative model performance. Decomposing the total variance of both state-of-the-art open-weight and commercial models, we find that semantics-preserving input perturbations can account for up to half of the performance variance for a given model. Brittlebench highlights the need for more robust evaluations and models, and allows us to systematically understand model brittleness.

In discriminative settings such as regression and classification there are two random variables at play, the inputs X and the targets Y. Here, we demonstrate that the Variational Information Bottleneck can be viewed as a compromise between fully empirical and fully Bayesian objectives, attempting to minimize the risks due to finite sampling of Y only. We argue that this approach provides some of the benefits of Bayes while requiring only some of the work.

This paper explores the impact of extending input lengths on the capabilities of Large Language Models (LLMs). Despite LLMs advancements in recent times, their performance consistency across different input lengths is not well understood. We investigate this aspect by introducing a novel QA reasoning framework, specifically designed to assess the impact of input length. We isolate the effect of input length using multiple versions of the same sample, each being extended with padding of different lengths, types and locations. Our findings show a notable degradation in LLMs' reasoning performance at much shorter input lengths than their technical maximum. We show that the degradation trend appears in every version of our dataset, although at different intensities. Additionally, our study reveals that traditional perplexity metrics do not correlate with performance of LLMs' in long input reasoning tasks. We analyse our results and identify failure modes that can serve as useful guides for future research, potentially informing strategies to address the limitations observed in LLMs.

Despite the remarkable success of deep neural networks in a myriad of settings, several works have demonstrated their overwhelming sensitivity to near-imperceptible perturbations, known as adversarial attacks. On the other hand, prior works have also observed that deep networks can be under-sensitive, wherein large-magnitude perturbations in input space do not induce appreciable changes to network activations. In this work, we study in detail the phenomenon of under-sensitivity in vision models such as CNNs and Transformers, and present techniques to study the geometry and extent of "equi-confidence" level sets of such networks. We propose a Level Set Traversal algorithm that iteratively explores regions of high confidence with respect to the input space using orthogonal components of the local gradients. Given a source image, we use this algorithm to identify inputs that lie in the same equi-confidence level set as the source image despite being perceptually similar to arbitrary images from other classes. We further observe that the source image is linearly connected by a high-confidence path to these inputs, uncovering a star-like structure for level sets of deep networks. Furthermore, we attempt to identify and estimate the extent of these connected higher-dimensional regions over which the model maintains a high degree of confidence. The code for this project is publicly available at https://github.com/SriramB-98/blindspots-neurips-sub

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

Language models are increasingly capable, yet still fail at a seemingly simple task of multi-digit multiplication. In this work, we study why, by reverse-engineering a model that successfully learns multiplication via implicit chain-of-thought, and report three findings: (1) Evidence of long-range structure: Logit attributions and linear probes indicate that the model encodes the necessary long-range dependencies for multi-digit multiplication. (2) Mechanism: the model encodes long-range dependencies using attention to construct a directed acyclic graph to ``cache'' and ``retrieve'' pairwise partial products. (3) Geometry: the model implements partial products in attention heads by forming Minkowski sums between pairs of digits, and digits are represented using a Fourier basis, both of which are intuitive and efficient representations that the standard fine-tuning model lacks. With these insights, we revisit the learning dynamics of standard fine-tuning and find that the model converges to a local optimum that lacks the required long-range dependencies. We further validate this understanding by introducing an auxiliary loss that predicts the ``running sum'' via a linear regression probe, which provides an inductive bias that enables the model to successfully learn multi-digit multiplication. In summary, by reverse-engineering the mechanisms of an implicit chain-of-thought model we uncover a pitfall for learning long-range dependencies in Transformers and provide an example of how the correct inductive bias can address this issue.

Tabular machine learning presents a paradox: modern models achieve state-of-the-art performance using high-dimensional (high-D), collinear, error-prone data, defying the "Garbage In, Garbage Out" mantra. To help resolve this, we synthesize principles from Information Theory, Latent Factor Models, and Psychometrics, clarifying that predictive robustness arises not solely from data cleanliness, but from the synergy between data architecture and model capacity. Partitioning predictor-space "noise" into "Predictor Error" and "Structural Uncertainty" (informational deficits from stochastic generative mappings), we prove that leveraging high-D sets of error-prone predictors asymptotically overcomes both types of noise, whereas cleaning a low-D set is fundamentally bounded by Structural Uncertainty. We demonstrate why "Informative Collinearity" (dependencies from shared latent causes) enhances reliability and convergence efficiency, and explain why increased dimensionality reduces the latent inference burden, enabling feasibility with finite samples. To address practical constraints, we propose "Proactive Data-Centric AI" to identify predictors that enable robustness efficiently. We also derive boundaries for Systematic Error Regimes and show why models that absorb "rogue" dependencies can mitigate assumption violations. Linking latent architecture to Benign Overfitting, we offer a first step towards a unified view of robustness to Outcome Error and predictor-space noise, while also delineating when traditional DCAI's focus on label cleaning remains powerful. By redefining data quality from item-level perfection to portfolio-level architecture, we provide a theoretical rationale for "Local Factories" -- learning from live, uncurated enterprise "data swamps" -- supporting a deployment paradigm shift from "Model Transfer" to "Methodology Transfer'' to overcome static generalizability limitations.

We propose a novel interpretation technique to explain the behavior of structured output models, which learn mappings between an input vector to a set of output variables simultaneously. Because of the complex relationship between the computational path of output variables in structured models, a feature can affect the value of output through other ones. We focus on one of the outputs as the target and try to find the most important features utilized by the structured model to decide on the target in each locality of the input space. In this paper, we assume an arbitrary structured output model is available as a black box and argue how considering the correlations between output variables can improve the explanation performance. The goal is to train a function as an interpreter for the target output variable over the input space. We introduce an energy-based training process for the interpreter function, which effectively considers the structural information incorporated into the model to be explained. The effectiveness of the proposed method is confirmed using a variety of simulated and real data sets.

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.

Although the existing causal inference literature focuses on the forward-looking perspective by estimating effects of causes, the backward-looking perspective can provide insights into causes of effects. In backward-looking causal inference, the probability of necessity measures the probability that a certain event is caused by the treatment given the observed treatment and outcome. Most existing results focus on binary outcomes. Motivated by applications with ordinal outcomes, we propose a general definition of the probability of necessity. However, identifying the probability of necessity is challenging because it involves the joint distribution of the potential outcomes. We propose a novel assumption of monotonic incremental treatment effect to identify the probability of necessity with ordinal outcomes. We also discuss the testable implications of this key identification assumption. When it fails, we derive explicit formulas of the sharp large-sample bounds on the probability of necessity.

Scaling laws are a critical component of the LLM development pipeline, most famously as a way to forecast training decisions such as 'compute-optimally' trading-off parameter count and dataset size, alongside a more recent growing list of other crucial decisions. In this work, we ask whether compute-optimal scaling behaviour can be skill-dependent. In particular, we examine knowledge and reasoning-based skills such as knowledge-based QA and code generation, and we answer this question in the affirmative: scaling laws are skill-dependent. Next, to understand whether skill-dependent scaling is an artefact of the pretraining datamix, we conduct an extensive ablation of different datamixes and find that, also when correcting for datamix differences, knowledge and code exhibit fundamental differences in scaling behaviour. We conclude with an analysis of how our findings relate to standard compute-optimal scaling using a validation set, and find that a misspecified validation set can impact compute-optimal parameter count by nearly 50%, depending on its skill composition.

We show that there is a general, informative and reliable procedure for discovering causal relations when, for all the investigator knows, both latent variables and selection bias may be at work. Given information about conditional independence and dependence relations between measured variables, even when latent variables and selection bias may be present, there are sufficient conditions for reliably concluding that there is a causal path from one variable to another, and sufficient conditions for reliably concluding when no such causal path exists.

The relationship between memorization and generalization in large language models (LLMs) remains an open area of research, with growing evidence that the two are deeply intertwined. In this work, we investigate this relationship by pre-training a series of capacity-limited Transformer models from scratch on two synthetic character-level tasks designed to separately probe generalization (via arithmetic extrapolation) and memorization (via factual recall). We observe a consistent trade-off: small models extrapolate to unseen arithmetic cases but fail to memorize facts, while larger models memorize but fail to extrapolate. An intermediate-capacity model exhibits a similar shift toward memorization. When trained on both tasks jointly, no model (regardless of size) succeeds at extrapolation. These findings suggest that pre-training may intrinsically favor one learning mode over the other. By isolating these dynamics in a controlled setting, our study offers insight into how model capacity shapes learning behavior and offers broader implications for the design and deployment of small language models.

Sequence modeling has produced diverse architectures -- from classical recurrent neural networks to modern Transformers and state space models (SSMs) -- yet a unified theoretical understanding of expressivity and trainability trade-offs remains limited. We introduce a unified framework that represents a broad class of sequence maps via an input-dependent effective interaction operator W_{ij}(X), making explicit two recurring construction patterns: (i) the Unified Factorized Framework (Explicit) (attention-style mixing), in which W_{ij}(X) varies through scalar coefficients applied to shared value maps, and (ii) Structured Dynamics (Implicit) (state-space recurrences), in which W_{ij} is induced by a latent dynamical system. Using this framework, we derive three theoretical results. First, we establish the Interaction Rank Gap: models in the Unified Factorized Framework, such as single-head attention, are constrained to a low-dimensional operator span and cannot represent certain structured dynamical maps. Second, we prove an Equivalence (Head-Count) Theorem showing that, within our multi-head factorized class, representing a linear SSM whose lag operators span a k-dimensional subspace on length-n sequences requires and is achievable with H=k heads. Third, we prove a Gradient Highway Result, showing that attention layers admit inputs with distance-independent gradient paths, whereas stable linear dynamics exhibit distance-dependent gradient attenuation. Together, these results formalize a fundamental trade-off between algebraic expressivity (interaction/operator span) and long-range gradient propagation, providing theoretical grounding for modern sequence architecture design.

There are two major classes of natural language grammar -- the dependency grammar that models one-to-one correspondences between words and the constituency grammar that models the assembly of one or several corresponded words. While previous unsupervised parsing methods mostly focus on only inducing one class of grammars, we introduce a novel model, StructFormer, that can simultaneously induce dependency and constituency structure. To achieve this, we propose a new parsing framework that can jointly generate a constituency tree and dependency graph. Then we integrate the induced dependency relations into the transformer, in a differentiable manner, through a novel dependency-constrained self-attention mechanism. Experimental results show that our model can achieve strong results on unsupervised constituency parsing, unsupervised dependency parsing, and masked language modeling at the same time.

Suppose Alice trains an open-weight language model and Bob uses a blackbox derivative of Alice's model to produce text. Can Alice prove that Bob is using her model, either by querying Bob's derivative model (query setting) or from the text alone (observational setting)? We formulate this question as an independence testing problem--in which the null hypothesis is that Bob's model or text is independent of Alice's randomized training run--and investigate it through the lens of palimpsestic memorization in language models: models are more likely to memorize data seen later in training, so we can test whether Bob is using Alice's model using test statistics that capture correlation between Bob's model or text and the ordering of training examples in Alice's training run. If Alice has randomly shuffled her training data, then any significant correlation amounts to exactly quantifiable statistical evidence against the null hypothesis, regardless of the composition of Alice's training data. In the query setting, we directly estimate (via prompting) the likelihood Bob's model gives to Alice's training examples and order; we correlate the likelihoods of over 40 fine-tunes of various Pythia and OLMo base models ranging from 1B to 12B parameters with the base model's training data order, achieving a p-value on the order of at most 1e-8 in all but six cases. In the observational setting, we try two approaches based on estimating 1) the likelihood of Bob's text overlapping with spans of Alice's training examples and 2) the likelihood of Bob's text with respect to different versions of Alice's model we obtain by repeating the last phase (e.g., 1%) of her training run on reshuffled data. The second approach can reliably distinguish Bob's text from as little as a few hundred tokens; the first does not involve any retraining but requires many more tokens (several hundred thousand) to achieve high power.

Evaluating neural network performance is critical to deep neural network design but a costly procedure. Neural predictors provide an efficient solution by treating architectures as samples and learning to estimate their performance on a given task. However, existing predictors are task-dependent, predominantly estimating neural network performance on image classification benchmarks. They are also search-space dependent; each predictor is designed to make predictions for a specific architecture search space with predefined topologies and set of operations. In this paper, we propose a novel All-in-One Predictor (AIO-P), which aims to pretrain neural predictors on architecture examples from multiple, separate computer vision (CV) task domains and multiple architecture spaces, and then transfer to unseen downstream CV tasks or neural architectures. We describe our proposed techniques for general graph representation, efficient predictor pretraining and knowledge infusion techniques, as well as methods to transfer to downstream tasks/spaces. Extensive experimental results show that AIO-P can achieve Mean Absolute Error (MAE) and Spearman's Rank Correlation (SRCC) below 1% and above 0.5, respectively, on a breadth of target downstream CV tasks with or without fine-tuning, outperforming a number of baselines. Moreover, AIO-P can directly transfer to new architectures not seen during training, accurately rank them and serve as an effective performance estimator when paired with an algorithm designed to preserve performance while reducing FLOPs.

When individuals encounter observations that violate their expectations, when will they adjust their expectations and when will they maintain them despite these observations? For example, when individuals expect objects of type A to be smaller than objects B, but observe the opposite, when will they adjust their expectation about the relationship between the two objects (to A being larger than B)? Naively, one would predict that the larger the violation, the greater the adaptation. However, experiments reveal that when violations are extreme, individuals are more likely to hold on to their prior expectations rather than adjust them. To address this puzzle, we tested the adaptation of artificial neural networks (ANNs) capable of relational learning and found a similar phenomenon: Standard learning dynamics dictates that small violations would lead to adjustments of expected relations while larger ones would be resolved using a different mechanism -- a change in object representation that bypasses the need for adaptation of the relational expectations. These results suggest that the experimentally-observed stability of prior expectations when facing large expectation violations is a natural consequence of learning dynamics and does not require any additional mechanisms. We conclude by discussing the effect of intermediate adaptation steps on this stability.

Machine learning models are vulnerable to adversarial perturbations, and a thought-provoking paper by Bubeck and Sellke has analyzed this phenomenon through the lens of over-parameterization: interpolating smoothly the data requires significantly more parameters than simply memorizing it. However, this "universal" law provides only a necessary condition for robustness, and it is unable to discriminate between models. In this paper, we address these gaps by focusing on empirical risk minimization in two prototypical settings, namely, random features and the neural tangent kernel (NTK). We prove that, for random features, the model is not robust for any degree of over-parameterization, even when the necessary condition coming from the universal law of robustness is satisfied. In contrast, for even activations, the NTK model meets the universal lower bound, and it is robust as soon as the necessary condition on over-parameterization is fulfilled. This also addresses a conjecture in prior work by Bubeck, Li and Nagaraj. Our analysis decouples the effect of the kernel of the model from an "interaction matrix", which describes the interaction with the test data and captures the effect of the activation. Our theoretical results are corroborated by numerical evidence on both synthetic and standard datasets (MNIST, CIFAR-10).

Existing methods, such as concept bottleneck models (CBMs), have been successful in providing concept-based interpretations for black-box deep learning models. They typically work by predicting concepts given the input and then predicting the final class label given the predicted concepts. However, (1) they often fail to capture the high-order, nonlinear interaction between concepts, e.g., correcting a predicted concept (e.g., "yellow breast") does not help correct highly correlated concepts (e.g., "yellow belly"), leading to suboptimal final accuracy; (2) they cannot naturally quantify the complex conditional dependencies between different concepts and class labels (e.g., for an image with the class label "Kentucky Warbler" and a concept "black bill", what is the probability that the model correctly predicts another concept "black crown"), therefore failing to provide deeper insight into how a black-box model works. In response to these limitations, we propose Energy-based Concept Bottleneck Models (ECBMs). Our ECBMs use a set of neural networks to define the joint energy of candidate (input, concept, class) tuples. With such a unified interface, prediction, concept correction, and conditional dependency quantification are then represented as conditional probabilities, which are generated by composing different energy functions. Our ECBMs address both limitations of existing CBMs, providing higher accuracy and richer concept interpretations. Empirical results show that our approach outperforms the state-of-the-art on real-world datasets.

Neural algorithmic reasoning is an emerging research direction that endows neural networks with the ability to mimic algorithmic executions step-by-step. A common paradigm in existing designs involves the use of historical embeddings in predicting the results of future execution steps. Our observation in this work is that such historical dependence intrinsically contradicts the Markov nature of algorithmic reasoning tasks. Based on this motivation, we present our ForgetNet, which does not use historical embeddings and thus is consistent with the Markov nature of the tasks. To address challenges in training ForgetNet at early stages, we further introduce G-ForgetNet, which uses a gating mechanism to allow for the selective integration of historical embeddings. Such an enhanced capability provides valuable computational pathways during the model's early training phase. Our extensive experiments, based on the CLRS-30 algorithmic reasoning benchmark, demonstrate that both ForgetNet and G-ForgetNet achieve better generalization capability than existing methods. Furthermore, we investigate the behavior of the gating mechanism, highlighting its degree of alignment with our intuitions and its effectiveness for robust performance.

Large language models (LLMs) exhibit cognitive biases -- systematic tendencies of irrational decision-making, similar to those seen in humans. Prior work has found that these biases vary across models and can be amplified by instruction tuning. However, it remains unclear if these differences in biases stem from pretraining, finetuning, or even random noise due to training stochasticity. We propose a two-step causal experimental approach to disentangle these factors. First, we finetune models multiple times using different random seeds to study how training randomness affects over 30 cognitive biases. Second, we introduce cross-tuning -- swapping instruction datasets between models to isolate bias sources. This swap uses datasets that led to different bias patterns, directly testing whether biases are dataset-dependent. Our findings reveal that while training randomness introduces some variability, biases are mainly shaped by pretraining: models with the same pretrained backbone exhibit more similar bias patterns than those sharing only finetuning data. These insights suggest that understanding biases in finetuned models requires considering their pretraining origins beyond finetuning effects. This perspective can guide future efforts to develop principled strategies for evaluating and mitigating bias in LLMs.

The success of Transformer language models is widely credited to their dot-product attention mechanism, which interweaves a set of key design principles: mixing information across positions (enabling multi-token interactions), sequence-dependent activations (where attention weights adapt to each input), a specific mathematical form (dot-product similarities plus softmax weighting), and coupling of queries and keys to evolving hidden states (grounding attention in the current layer). However, the necessity of each of these principles remains largely untested. In this work, we systematically deconstruct attention by designing controlled variants that selectively relax these principles, applied both uniformly across all layers and in hybrid architectures where only some layers retain standard attention. Our empirical analysis reveals that mechanisms for mixing tokens are indispensable, as their absence collapses models to near-random behavior, while the exact mathematical form and sequence dependency can be substantially relaxed, especially when preserved in just a subset of layers. Surprisingly, even variants that fail in isolation can achieve robust performance when interleaved with standard attention, highlighting a cooperative effect. These findings deepen our understanding of what truly underpins attention's effectiveness and open new avenues for simplifying language models without sacrificing performance.

Concept Bottleneck Models (CBMs) are regarded as inherently interpretable because they first predict a set of human-defined concepts which are used to predict a task label. For inherent interpretability to be fully realised, and ensure trust in a model's output, it's desirable for concept predictions to use semantically meaningful input features. For instance, in an image, pixels representing a broken bone should contribute to predicting a fracture. However, current literature suggests that concept predictions often rely on irrelevant input features. We hypothesise that this occurs when dataset labels include inaccurate concept annotations, or the relationship between input features and concepts is unclear. In general, the effect of dataset labelling on concept representations remains an understudied area. In this paper, we demonstrate that CBMs can learn to map concepts to semantically meaningful input features, by utilising datasets with a clear link between the input features and the desired concept predictions. This is achieved, for instance, by ensuring multiple concepts do not always co-occur and, therefore provide a clear training signal for the CBM to distinguish the relevant input features for each concept. We validate our hypothesis on both synthetic and real-world image datasets, and demonstrate under the correct conditions, CBMs can learn to attribute semantically meaningful input features to the correct concept predictions.

Most contemporary neural learning systems rely on epoch-based optimization and repeated access to historical data, implicitly assuming reversible computation. In contrast, real-world environments often present information as irreversible streams, where inputs cannot be replayed or revisited. Under such conditions, conventional architectures degrade into reactive filters lacking long-horizon coherence. This paper introduces Stream Neural Networks (StNN), an execution paradigm designed for irreversible input streams. StNN operates through a stream-native execution algorithm, the Stream Network Algorithm (SNA), whose fundamental unit is the stream neuron. Each stream neuron maintains a persistent temporal state that evolves continuously across inputs. We formally establish three structural guarantees: (1) stateless mappings collapse under irreversibility and cannot encode temporal dependencies; (2) persistent state dynamics remain bounded under mild activation constraints; and (3) the state transition operator is contractive for λ < 1, ensuring stable long-horizon execution. Empirical phase-space analysis and continuous tracking experiments validate these theoretical results. The execution principles introduced in this work define a minimal substrate for neural computation under irreversible streaming constraints.

Sorting is a fundamental operation of all computer systems, having been a long-standing significant research topic. Beyond the problem formulation of traditional sorting algorithms, we consider sorting problems for more abstract yet expressive inputs, e.g., multi-digit images and image fragments, through a neural sorting network. To learn a mapping from a high-dimensional input to an ordinal variable, the differentiability of sorting networks needs to be guaranteed. In this paper we define a softening error by a differentiable swap function, and develop an error-free swap function that holds a non-decreasing condition and differentiability. Furthermore, a permutation-equivariant Transformer network with multi-head attention is adopted to capture dependency between given inputs and also leverage its model capacity with self-attention. Experiments on diverse sorting benchmarks show that our methods perform better than or comparable to baseline methods.

The training process of neural networks usually optimize weights and bias parameters of linear transformations, while nonlinear activation functions are pre-specified and fixed. This work develops a systematic approach to constructing matrix activation functions whose entries are generalized from ReLU. The activation is based on matrix-vector multiplications using only scalar multiplications and comparisons. The proposed activation functions depend on parameters that are trained along with the weights and bias vectors. Neural networks based on this approach are simple and efficient and are shown to be robust in numerical experiments.

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

Training Transformers on algorithmic tasks frequently demonstrates an intriguing abrupt learning phenomenon: an extended performance plateau followed by a sudden, sharp improvement. This work investigates the underlying mechanisms for such dynamics, primarily in shallow Transformers. We reveal that during the plateau, the model often develops an interpretable partial solution while simultaneously exhibiting a strong repetition bias in their outputs. This output degeneracy is accompanied by internal representation collapse, where hidden states across different tokens become nearly parallel. We further identify the slow learning of optimal attention maps as a key bottleneck. Hidden progress in attention configuration during the plateau precedes the eventual rapid convergence, and directly intervening on attention significantly alters plateau duration and the severity of repetition bias and representational collapse. We validate that these identified phenomena-repetition bias and representation collapse-are not artifacts of toy setups but also manifest in the early pre-training stage of large language models like Pythia and OLMo.

In controllable generation tasks, flexibly manipulating the generated images to attain a desired appearance or structure based on a single input image cue remains a critical and longstanding challenge. Achieving this requires the effective decoupling of key attributes within the input image data, aiming to get representations accurately. Previous research has predominantly concentrated on disentangling image attributes within feature space. However, the complex distribution present in real-world data often makes the application of such decoupling algorithms to other datasets challenging. Moreover, the granularity of control over feature encoding frequently fails to meet specific task requirements. Upon scrutinizing the characteristics of various generative models, we have observed that the input sensitivity and dynamic evolution properties of the diffusion model can be effectively fused with the explicit decomposition operation in pixel space. This integration enables the image processing operations performed in pixel space for a specific feature distribution of the input image, and can achieve the desired control effect in the generated results. Therefore, we propose FilterPrompt, an approach to enhance the model control effect. It can be universally applied to any diffusion model, allowing users to adjust the representation of specific image features in accordance with task requirements, thereby facilitating more precise and controllable generation outcomes. In particular, our designed experiments demonstrate that the FilterPrompt optimizes feature correlation, mitigates content conflicts during the generation process, and enhances the model's control capability.

Multilingual transformer-based models demonstrate remarkable zero and few-shot transfer across languages by learning and reusing language-agnostic features. However, as a fixed-size model acquires more languages, its performance across all languages degrades, a phenomenon termed interference. Often attributed to limited model capacity, interference is commonly addressed by adding additional parameters despite evidence that transformer-based models are overparameterized. In this work, we show that it is possible to reduce interference by instead identifying and pruning language-specific parameters. First, we use Shapley Values, a credit allocation metric from coalitional game theory, to identify attention heads that introduce interference. Then, we show that removing identified attention heads from a fixed model improves performance for a target language on both sentence classification and structural prediction, seeing gains as large as 24.7\%. Finally, we provide insights on language-agnostic and language-specific attention heads using attention visualization.

State-space models (SSMs) are a new class of foundation models that have emerged as a compelling alternative to Transformers and their attention mechanisms for sequence processing tasks. This paper provides a detailed theoretical analysis of selective SSMs, the core components of the Mamba and Mamba-2 architectures. We leverage the connection between selective SSMs and the self-attention mechanism to highlight the fundamental similarities between these models. Building on this connection, we establish a length independent covering number-based generalization bound for selective SSMs, providing a deeper understanding of their theoretical performance guarantees. We analyze the effects of state matrix stability and input-dependent discretization, shedding light on the critical role played by these factors in the generalization capabilities of selective SSMs. Finally, we empirically demonstrate the sequence length independence of the derived bounds on two tasks.

Uncertainty quantification (UQ) is a perspective approach to detecting Large Language Model (LLM) hallucinations and low quality output. In this work, we address one of the challenges of UQ in generation tasks that arises from the conditional dependency between the generation steps of an LLM. We propose to learn this dependency from data. We train a regression model, which target variable is the gap between the conditional and the unconditional generation confidence. During LLM inference, we use this learned conditional dependency model to modulate the uncertainty of the current generation step based on the uncertainty of the previous step. Our experimental evaluation on nine datasets and three LLMs shows that the proposed method is highly effective for uncertainty quantification, achieving substantial improvements over rivaling approaches.

We investigate the internal structure of language model computations using causal analysis and demonstrate two motifs: (1) a form of adaptive computation where ablations of one attention layer of a language model cause another layer to compensate (which we term the Hydra effect) and (2) a counterbalancing function of late MLP layers that act to downregulate the maximum-likelihood token. Our ablation studies demonstrate that language model layers are typically relatively loosely coupled (ablations to one layer only affect a small number of downstream layers). Surprisingly, these effects occur even in language models trained without any form of dropout. We analyse these effects in the context of factual recall and consider their implications for circuit-level attribution in language models.

Simultaneous neural machine translation(SNMT) models start emitting the target sequence before they have processed the source sequence. The recent adaptive policies for SNMT use monotonic attention to perform read/write decisions based on the partial source and target sequences. The lack of sufficient information might cause the monotonic attention to take poor read/write decisions, which in turn negatively affects the performance of the SNMT model. On the other hand, human translators make better read/write decisions since they can anticipate the immediate future words using linguistic information and domain knowledge.Motivated by human translators, in this work, we propose a framework to aid monotonic attention with an external language model to improve its decisions.We conduct experiments on the MuST-C English-German and English-French speech-to-text translation tasks to show the effectiveness of the proposed framework.The proposed SNMT method improves the quality-latency trade-off over the state-of-the-art monotonic multihead attention.

Teams that have trained large Transformer-based models have reported training instabilities at large scale that did not appear when training with the same hyperparameters at smaller scales. Although the causes of such instabilities are of scientific interest, the amount of resources required to reproduce them has made investigation difficult. In this work, we seek ways to reproduce and study training stability and instability at smaller scales. First, we focus on two sources of training instability described in previous work: the growth of logits in attention layers (Dehghani et al., 2023) and divergence of the output logits from the log probabilities (Chowdhery et al., 2022). By measuring the relationship between learning rate and loss across scales, we show that these instabilities also appear in small models when training at high learning rates, and that mitigations previously employed at large scales are equally effective in this regime. This prompts us to investigate the extent to which other known optimizer and model interventions influence the sensitivity of the final loss to changes in the learning rate. To this end, we study methods such as warm-up, weight decay, and the muParam (Yang et al., 2022), and combine techniques to train small models that achieve similar losses across orders of magnitude of learning rate variation. Finally, to conclude our exploration we study two cases where instabilities can be predicted before they emerge by examining the scaling behavior of model activation and gradient norms.

Language Models (LMs) assign significant attention to the first token, even if it is not semantically important, which is known as attention sink. This phenomenon has been widely adopted in applications such as streaming/long context generation, KV cache optimization, inference acceleration, model quantization, and others. Despite its widespread use, a deep understanding of attention sink in LMs is still lacking. In this work, we first demonstrate that attention sinks exist universally in LMs with various inputs, even in small models. Furthermore, attention sink is observed to emerge during the LM pre-training, motivating us to investigate how optimization, data distribution, loss function, and model architecture in LM pre-training influence its emergence. We highlight that attention sink emerges after effective optimization on sufficient training data. The sink position is highly correlated with the loss function and data distribution. Most importantly, we find that attention sink acts more like key biases, storing extra attention scores, which could be non-informative and not contribute to the value computation. We also observe that this phenomenon (at least partially) stems from tokens' inner dependence on attention scores as a result of softmax normalization. After relaxing such dependence by replacing softmax attention with other attention operations, such as sigmoid attention without normalization, attention sinks do not emerge in LMs up to 1B parameters. The code is available at https://github.com/sail-sg/Attention-Sink.

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.

Grey-box fuzzers such as American Fuzzy Lop (AFL) are popular tools for finding bugs and potential vulnerabilities in programs. While these fuzzers have been able to find vulnerabilities in many widely used programs, they are not efficient; of the millions of inputs executed by AFL in a typical fuzzing run, only a handful discover unseen behavior or trigger a crash. The remaining inputs are redundant, exhibiting behavior that has already been observed. Here, we present an approach to increase the efficiency of fuzzers like AFL by applying machine learning to directly model how programs behave. We learn a forward prediction model that maps program inputs to execution traces, training on the thousands of inputs collected during standard fuzzing. This learned model guides exploration by focusing on fuzzing inputs on which our model is the most uncertain (measured via the entropy of the predicted execution trace distribution). By focusing on executing inputs our learned model is unsure about, and ignoring any input whose behavior our model is certain about, we show that we can significantly limit wasteful execution. Through testing our approach on a set of binaries released as part of the DARPA Cyber Grand Challenge, we show that our approach is able to find a set of inputs that result in more code coverage and discovered crashes than baseline fuzzers with significantly fewer executions.

We observe an empirical phenomenon in Large Language Models (LLMs) -- very few activations exhibit significantly larger values than others (e.g., 100,000 times larger). We call them massive activations. First, we demonstrate the widespread existence of massive activations across various LLMs and characterize their locations. Second, we find their values largely stay constant regardless of the input, and they function as indispensable bias terms in LLMs. Third, these massive activations lead to the concentration of attention probabilities to their corresponding tokens, and further, implicit bias terms in the self-attention output. Last, we also study massive activations in Vision Transformers. Code is available at https://github.com/locuslab/massive-activations.