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Jul 30

Reading and Steering Representations of Materials-Science Mechanisms in an Open-Weight Language Model

Large language models can answer scientific questions, yet a correct output does not reveal whether the model represents or uses the governing physics. Here we show that materials science mechanism information in the open-weight google/gemma-4-E4B-it model has three experimentally separable forms: concepts are readable in individual hidden states, constitutive orientation is carried by controlled transformations between states, and selected internal representations causally control engineering answers. We combine matched direct and Jacobian vocabulary readouts, option-free state geometry, a 60-law counterfactual benchmark and causal interventions. In 50 held-out materials descriptions, three independently fitted Jacobian lenses reproduced concept ranks, and target-free word sets from both readouts enabled blinded identification of 9 of 10 mechanism families. A separate 72-prompt benchmark produced mechanism-specific hidden-state neighborhoods, but an exact graph audit showed that this apparent physical organization was equally explained by numerical comparison. We therefore compared otherwise identical prompts in which only the direction of the physical input was reversed, asking whether the resulting hidden-state movement followed the supplied constitutive law. These state transformations ordered direct, physically neutral and inverse laws across 60 frozen relations and correctly oriented 39 of 40 directional laws, whereas lexical controls were near chance. Bidirectional interventions shifted answer probabilities toward or away from the physically appropriate outcome across all 12 matched cases, while counterfactual state patches transferred opposing decision signals across mechanisms and answer formats. Physical relationships were therefore more visible in controlled state changes than in absolute states alone.

Separable neural architectures as a primitive for unified predictive and generative intelligence

Intelligent systems across physics, language and perception often exhibit factorisable structure, yet are typically modelled by monolithic neural architectures that do not explicitly exploit this structure. The separable neural architecture (SNA) addresses this by formalising a representational class that unifies additive, quadratic and tensor-decomposed neural models. By constraining interaction order and tensor rank, SNAs impose a structural inductive bias that factorises high-dimensional mappings into low-arity components. Separability need not be a property of the system itself: it often emerges in the coordinates or representations through which the system is expressed. Crucially, this coordinate-aware formulation reveals a structural analogy between chaotic spatiotemporal dynamics and linguistic autoregression. By treating continuous physical states as smooth, separable embeddings, SNAs enable distributional modelling of chaotic systems. This approach mitigates the nonphysical drift characteristics of deterministic operators whilst remaining applicable to discrete sequences. The compositional versatility of this approach is demonstrated across four domains: autonomous waypoint navigation via reinforcement learning, inverse generation of multifunctional microstructures, distributional modelling of turbulent flow and neural language modelling. These results establish the separable neural architecture as a domain-agnostic primitive for predictive and generative intelligence, capable of unifying both deterministic and distributional representations.

  • 5 authors
·
Mar 12

Learning Fast Algorithms for Linear Transforms Using Butterfly Factorizations

Fast linear transforms are ubiquitous in machine learning, including the discrete Fourier transform, discrete cosine transform, and other structured transformations such as convolutions. All of these transforms can be represented by dense matrix-vector multiplication, yet each has a specialized and highly efficient (subquadratic) algorithm. We ask to what extent hand-crafting these algorithms and implementations is necessary, what structural priors they encode, and how much knowledge is required to automatically learn a fast algorithm for a provided structured transform. Motivated by a characterization of fast matrix-vector multiplication as products of sparse matrices, we introduce a parameterization of divide-and-conquer methods that is capable of representing a large class of transforms. This generic formulation can automatically learn an efficient algorithm for many important transforms; for example, it recovers the O(N log N) Cooley-Tukey FFT algorithm to machine precision, for dimensions N up to 1024. Furthermore, our method can be incorporated as a lightweight replacement of generic matrices in machine learning pipelines to learn efficient and compressible transformations. On a standard task of compressing a single hidden-layer network, our method exceeds the classification accuracy of unconstrained matrices on CIFAR-10 by 3.9 points -- the first time a structured approach has done so -- with 4X faster inference speed and 40X fewer parameters.

  • 5 authors
·
Dec 28, 2020

Principled Reflection Separation via Nonlinear Superposition and Feature Interaction

Single-image reflection separation is fundamentally challenged by the entanglement of transmission and reflection layers under complex image formation processes. Existing approaches largely rely on simplified assumptions or independent modeling, limiting their ability to handle real-world scenarios. In this work, we revisit the problem from a unified perspective and identify a key issue of existing approaches, i.e., the widely adopted linear composition model in the sRGB domain fails to capture the nonlinear coupling introduced by real-world image signal processing pipelines. To address this, we introduce a learnable nonlinear superposition model that more faithfully characterizes layer interactions and improves decomposition fidelity. Building upon this formulation, we propose a generalized dual-stream interactive framework that explicitly models bidirectional dependencies between transmission and reflection through feature exchange. This framework unifies activation-, gating-, and attention-based interaction mechanisms, and is compatible with both CNN and Transformer backbones. Extensive experiments on diverse real-world benchmarks demonstrate that the proposed approach achieves superior performance with strong generalization capability. More importantly, our study reveals that reflection separation is not about undoing a linear mixture, but about learning nonlinear formation and interaction}, offering new insights into the design of principled image decomposition models. Code and models are publicly available at https://mingcv.github.io/DIRS-Page.

  • 4 authors
·
May 31

Approximating Uniform Random Rotations by Two-Block Structured Hadamard Rotations in High Dimensions

Uniform random rotations are a useful primitive in applications such as fast Johnson-Lindenstrauss embeddings, kernel approximation, communication-efficient learning, and recent AI compression pipelines, but they are computationally expensive to generate and apply in high dimensions. A common practical replacement is repeated structured random rotations built from Walsh-Hadamard transforms and random sign diagonals. Applying the structured random rotation twice has been shown empirically to be useful, but the supporting theory is still limited. In this paper we study the approximation quality achieved when using this two-block structured Hadamard rotation. Our results are both positive and negative. On the positive side, we prove that every fixed coordinate of the two-block transform converges uniformly, over all inputs, to the corresponding coordinate of a uniformly rotated vector, with an explicit Kolmogorov-distance bound of order d^{-1/5}. On the negative side, we prove an explicit lower bound on the Wasserstein distance between the full vector distributions, showing that the two-block transform is not a globally accurate surrogate for a uniform random rotation in the worst case. For the extremal input used in the lower bound, we also prove a matching asymptotic upper bound, showing that the lower-bound scale is sharp for that input. Taken together, the results identify a clear separation between one-dimensional marginal behavior, where approximation improves with dimension, and full high-dimensional geometry, where a nonvanishing discrepancy remains. This provides a partial theoretical explanation for the empirical success of structured Hadamard rotations in some algorithms, while also clarifying the limitations of treating them as drop-in replacements for true uniform random rotations.

  • 2 authors
·
Apr 24

BT^2: Backward-compatible Training with Basis Transformation

Modern retrieval system often requires recomputing the representation of every piece of data in the gallery when updating to a better representation model. This process is known as backfilling and can be especially costly in the real world where the gallery often contains billions of samples. Recently, researchers have proposed the idea of Backward Compatible Training (BCT) where the new representation model can be trained with an auxiliary loss to make it backward compatible with the old representation. In this way, the new representation can be directly compared with the old representation, in principle avoiding the need for any backfilling. However, followup work shows that there is an inherent tradeoff where a backward compatible representation model cannot simultaneously maintain the performance of the new model itself. This paper reports our ``not-so-surprising'' finding that adding extra dimensions to the representation can help here. However, we also found that naively increasing the dimension of the representation did not work. To deal with this, we propose Backward-compatible Training with a novel Basis Transformation (BT^2). A basis transformation (BT) is basically a learnable set of parameters that applies an orthonormal transformation. Such a transformation possesses an important property whereby the original information contained in its input is retained in its output. We show in this paper how a BT can be utilized to add only the necessary amount of additional dimensions. We empirically verify the advantage of BT^2 over other state-of-the-art methods in a wide range of settings. We then further extend BT^2 to other challenging yet more practical settings, including significant change in model architecture (CNN to Transformers), modality change, and even a series of updates in the model architecture mimicking the evolution of deep learning models.

  • 7 authors
·
Nov 7, 2022

Three-Phase Transformer

We present Three-Phase Transformer (3PT), a residual-stream structural prior for decoder-only Transformers on a standard SwiGLU + RMSNorm + RoPE + GQA backbone. The hidden vector is partitioned into N equally-sized cyclic channels, each maintained by phase-respecting ops: a per-channel RMSNorm, a 2D Givens rotation between attention and FFN that rotates each channel by theta + i*(2*pi/N), and a head-count constraint aligning GQA heads with the partition. The architecture is a self-stabilizing equilibrium between scrambling and re-imposition, not a bolted-on module. The partition carves out a one-dimensional DC subspace orthogonal to the channels, into which we inject a fixed Gabriel's horn profile r(p) = 1/(p+1) as an absolute-position side-channel composing orthogonally with RoPE's relative-position rotation. The canonical N=3 borrows its metaphor from balanced three-phase AC, where three sinusoids 120 degrees apart sum to zero with no anti-correlated pair. At 123M parameters on WikiText-103, 3PT achieves -7.20% perplexity (-2.62% bits-per-byte) over a matched RoPE-Only baseline at +1,536 parameters (0.00124% of total), with 1.93x step-count convergence speedup (1.64x wall-clock). N behaves as a parameter-sharing knob rather than a unique optimum: at 5.5M an N-sweep over {1,2,3,4,6,8,12} is near-monotone with N=1 winning; at 123M a three-seed sweep finds N=3 and N=1 statistically indistinguishable. The load-bearing mechanism is the channel-partitioned residual stream, per-block rotation, per-phase normalization, and horn DC injection. We characterize (a) self-stabilization of the geometry without explicit enforcement, a novel instance of the conservation-law framework for neural networks; (b) a U-shaped depth profile of rotation-angle drift at 12 layers; (c) orthogonal composition with RoPE, attention, and FFN.

BrainsBuild BrainsBuild
·
Apr 14 5

Diffscaler: Enhancing the Generative Prowess of Diffusion Transformers

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

  • 3 authors
·
Apr 15, 2024

Zero-shot Audio Source Separation through Query-based Learning from Weakly-labeled Data

Deep learning techniques for separating audio into different sound sources face several challenges. Standard architectures require training separate models for different types of audio sources. Although some universal separators employ a single model to target multiple sources, they have difficulty generalizing to unseen sources. In this paper, we propose a three-component pipeline to train a universal audio source separator from a large, but weakly-labeled dataset: AudioSet. First, we propose a transformer-based sound event detection system for processing weakly-labeled training data. Second, we devise a query-based audio separation model that leverages this data for model training. Third, we design a latent embedding processor to encode queries that specify audio targets for separation, allowing for zero-shot generalization. Our approach uses a single model for source separation of multiple sound types, and relies solely on weakly-labeled data for training. In addition, the proposed audio separator can be used in a zero-shot setting, learning to separate types of audio sources that were never seen in training. To evaluate the separation performance, we test our model on MUSDB18, while training on the disjoint AudioSet. We further verify the zero-shot performance by conducting another experiment on audio source types that are held-out from training. The model achieves comparable Source-to-Distortion Ratio (SDR) performance to current supervised models in both cases.

  • 6 authors
·
Dec 15, 2021

UNesT: Local Spatial Representation Learning with Hierarchical Transformer for Efficient Medical Segmentation

Transformer-based models, capable of learning better global dependencies, have recently demonstrated exceptional representation learning capabilities in computer vision and medical image analysis. Transformer reformats the image into separate patches and realizes global communication via the self-attention mechanism. However, positional information between patches is hard to preserve in such 1D sequences, and loss of it can lead to sub-optimal performance when dealing with large amounts of heterogeneous tissues of various sizes in 3D medical image segmentation. Additionally, current methods are not robust and efficient for heavy-duty medical segmentation tasks such as predicting a large number of tissue classes or modeling globally inter-connected tissue structures. To address such challenges and inspired by the nested hierarchical structures in vision transformer, we proposed a novel 3D medical image segmentation method (UNesT), employing a simplified and faster-converging transformer encoder design that achieves local communication among spatially adjacent patch sequences by aggregating them hierarchically. We extensively validate our method on multiple challenging datasets, consisting of multiple modalities, anatomies, and a wide range of tissue classes, including 133 structures in the brain, 14 organs in the abdomen, 4 hierarchical components in the kidneys, inter-connected kidney tumors and brain tumors. We show that UNesT consistently achieves state-of-the-art performance and evaluate its generalizability and data efficiency. Particularly, the model achieves whole brain segmentation task complete ROI with 133 tissue classes in a single network, outperforming prior state-of-the-art method SLANT27 ensembled with 27 networks.

  • 15 authors
·
Sep 7, 2023

An Unsupervised Method for Estimating Class Separability of Datasets with Application to LLMs Fine-Tuning

This paper proposes an unsupervised method that leverages topological characteristics of data manifolds to estimate class separability of the data without requiring labels. Experiments conducted in this paper on several datasets demonstrate a clear correlation and consistency between the class separability estimated by the proposed method with supervised metrics like Fisher Discriminant Ratio~(FDR) and cross-validation of a classifier, which both require labels. This can enable implementing learning paradigms aimed at learning from both labeled and unlabeled data, like semi-supervised and transductive learning. This would be particularly useful when we have limited labeled data and a relatively large unlabeled dataset that can be used to enhance the learning process. The proposed method is implemented for language model fine-tuning with automated stopping criterion by monitoring class separability of the embedding-space manifold in an unsupervised setting. The proposed methodology has been first validated on synthetic data, where the results show a clear consistency between class separability estimated by the proposed method and class separability computed by FDR. The method has been also implemented on both public and internal data. The results show that the proposed method can effectively aid -- without the need for labels -- a decision on when to stop or continue the fine-tuning of a language model and which fine-tuning iteration is expected to achieve a maximum classification performance through quantification of the class separability of the embedding manifold.

  • 6 authors
·
May 24, 2023

boldsymbolλ-Orthogonality Regularization for Compatible Representation Learning

Retrieval systems rely on representations learned by increasingly powerful models. However, due to the high training cost and inconsistencies in learned representations, there is significant interest in facilitating communication between representations and ensuring compatibility across independently trained neural networks. In the literature, two primary approaches are commonly used to adapt different learned representations: affine transformations, which adapt well to specific distributions but can significantly alter the original representation, and orthogonal transformations, which preserve the original structure with strict geometric constraints but limit adaptability. A key challenge is adapting the latent spaces of updated models to align with those of previous models on downstream distributions while preserving the newly learned representation spaces. In this paper, we impose a relaxed orthogonality constraint, namely λ-Orthogonality regularization, while learning an affine transformation, to obtain distribution-specific adaptation while retaining the original learned representations. Extensive experiments across various architectures and datasets validate our approach, demonstrating that it preserves the model's zero-shot performance and ensures compatibility across model updates. Code available at: https://github.com/miccunifi/lambda_orthogonality.git{https://github.com/miccunifi/lambda\_orthogonality}.

  • 5 authors
·
Sep 20, 2025

ComRoPE: Scalable and Robust Rotary Position Embedding Parameterized by Trainable Commuting Angle Matrices

The Transformer architecture has revolutionized various regions since it was proposed, and its effectiveness largely depends on the ability to encode positional information. Traditional position encoding methods exhibit significant limitations due to lack of robustness and flexibility of position. Therefore, Rotary Positional Encoding (RoPE) was proposed to alleviate these issues, which integrates positional information by rotating the embeddings in the attention mechanism. However, RoPE requires manually defined rotation matrices with limited transformation space, constraining the model's capacity. In this work, we propose ComRoPE, which generalizes RoPE by defining it in terms of trainable commuting angle matrices. Specifically, we demonstrate that pairwise commutativity of these matrices is essential for RoPE to achieve scalability and positional robustness. We formally define the RoPE Equation, which is an essential condition that ensures consistent performance with position offsets. Based on the theoretical analysis, we present two types of trainable commuting angle matrices as sufficient solutions to the RoPE equation, which significantly improve performance, surpassing the current state-of-the-art method by 1.6% at training resolution and 2.9% at higher resolution on the ImageNet-1K dataset. Furthermore, our framework shows versatility in generalizing to existing RoPE formulations and offering new insights for future positional encoding research. To ensure reproducibility, the source code and instructions are available at https://github.com/Longin-Yu/ComRoPE

  • 10 authors
·
Jun 4, 2025

Improving Neural Network Training by Decoupling the Magnitude and Direction of Weight Vectors

Modern neural network training relies on optimizers such as Adam and Muon which act on each weight matrix as a single object. Yet every weight matrix carries two distinct quantities -- a magnitude and a direction -- and all optimizers stepping in the matrix as a whole couple their dynamics: the directional change from an update depends on the current magnitude, while the magnitude drifts as a byproduct of learning the direction, so neither is governed directly by the learning rate. Typical training therefore leans on surrounding recipes such as weight decay and warmup to keep learning stable at scale, though these regulate the coupling only indirectly; other recent methods instead constrain the weight to a fixed-norm sphere, but add no learnable magnitude, leaving scale control to normalization layers alone. We propose Magnitude--Direction (MD) Decoupling, an optimizer modification that factorizes each weight into a fixed-norm direction on a hypersphere and learnable per-row and per-column magnitude gains, updated at separate learning rates, all while the model still sees a single fused weight tensor. The method is agnostic to the base optimizer and removes the need for weight decay and warmup. Across both Adam and Muon, MD Decoupling improves on well-tuned baselines, transfers the optimal LR across model width without retuning, and continues to help at scale on large Mixture-of-Experts (MoE) models. Treating magnitude and direction as separately controlled quantities thus yields more predictable training dynamics and a simple, broadly applicable improvement to modern optimizers.

  • 4 authors
·
Jun 23

Towards Reversible Model Merging For Low-rank Weights

Model merging aims to combine multiple fine-tuned models into a single set of weights that performs well across all source tasks. While prior work has shown that merging can approximate the performance of individual fine-tuned models for each task, it largely overlooks scenarios where models are compressed into low-rank representations, either through low-rank adaptation (LoRA) or post-training singular value decomposition (SVD). We first demonstrate that applying conventional merging methods to low-rank weights leads to severe performance degradation in the merged model. Motivated by this phenomenon, we propose a fundamentally different approach: instead of collapsing all adapters into one set of weights, we construct a compact basis (e.g., an equivalent of holding two or more models) from which original task-specific models can be recovered via linear combination. This reframes merging as generating a reconstruction-capable model space rather than producing a single merged model. Crucially, this allows us to ``revert'' to each individual model when needed, recognizing that no merged model can consistently outperform one specialized for its task. Building on this insight, we introduce our method, Reversible Model Merging (RMM), an efficient, data-free, and flexible method that provides a closed-form solution for selecting the optimal basis of model weights and task-specific coefficients for linear combination. Extensive experiments across diverse datasets and model scales demonstrate that RMM consistently outperforms existing merging approaches, preserving the performance of low-rank compressed models by a significant margin.

  • 2 authors
·
Oct 15, 2025

Sliced Recursive Transformer

We present a neat yet effective recursive operation on vision transformers that can improve parameter utilization without involving additional parameters. This is achieved by sharing weights across the depth of transformer networks. The proposed method can obtain a substantial gain (~2%) simply using naive recursive operation, requires no special or sophisticated knowledge for designing principles of networks, and introduces minimal computational overhead to the training procedure. To reduce the additional computation caused by recursive operation while maintaining the superior accuracy, we propose an approximating method through multiple sliced group self-attentions across recursive layers which can reduce the cost consumption by 10~30% with minimal performance loss. We call our model Sliced Recursive Transformer (SReT), a novel and parameter-efficient vision transformer design that is compatible with a broad range of other designs for efficient ViT architectures. Our best model establishes significant improvement on ImageNet-1K over state-of-the-art methods while containing fewer parameters. The proposed weight sharing mechanism by sliced recursion structure allows us to build a transformer with more than 100 or even 1000 shared layers with ease while keeping a compact size (13~15M), to avoid optimization difficulties when the model is too large. The flexible scalability has shown great potential for scaling up models and constructing extremely deep vision transformers. Code is available at https://github.com/szq0214/SReT.

  • 3 authors
·
Nov 9, 2021

Universal Approximation Theorem for a Single-Layer Transformer

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

  • 1 authors
·
Jul 11, 2025

iTransformer: Inverted Transformers Are Effective for Time Series Forecasting

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

  • 7 authors
·
Oct 10, 2023

Geometric Stability: The Missing Axis of Representations

Representational similarity analysis and related methods compare the internal geometries of neural networks, but they measure only alignment between spaces, leaving a blind spot -- whether a representation's structure is reliably recoverable, not merely similar. We introduce geometric stability, a distinct axis, and Shesha, a metric that quantifies it from a single representation by correlating dissimilarity matrices built from complementary random halves of the feature dimensions. Unlike CKA and Procrustes distance, Shesha is provably non-invariant to orthogonal rotations of the feature basis. This is by design: the basis is privileged for learned models, since probes, patching, and steering act on coordinates, and a rotation-invariant metric cannot see whether the targeted structure survives them. A double dissociation isolates the mechanism -- removing the top principal component collapses CKA while Shesha holds, whereas rotating a representation into its eigenbasis, which preserves the spectrum and CKA exactly, collapses Shesha. Across 2,463 encoder configurations in seven domains, the metrics are redundant under geometry-preserving transforms and anti-correlate under compression (ρ=-0.47). Across 170 vision models spanning 6 clean and 38 corruption-shifted datasets, DINOv2 ranks first or second in transferability on three of six clean datasets yet bottom-quartile in stability on five, an isolated dissociation rather than a trade-off.

  • 1 authors
·
Jul 5 2

Separating common from salient patterns with Contrastive Representation Learning

Contrastive Analysis is a sub-field of Representation Learning that aims at separating common factors of variation between two datasets, a background (i.e., healthy subjects) and a target (i.e., diseased subjects), from the salient factors of variation, only present in the target dataset. Despite their relevance, current models based on Variational Auto-Encoders have shown poor performance in learning semantically-expressive representations. On the other hand, Contrastive Representation Learning has shown tremendous performance leaps in various applications (classification, clustering, etc.). In this work, we propose to leverage the ability of Contrastive Learning to learn semantically expressive representations well adapted for Contrastive Analysis. We reformulate it under the lens of the InfoMax Principle and identify two Mutual Information terms to maximize and one to minimize. We decompose the first two terms into an Alignment and a Uniformity term, as commonly done in Contrastive Learning. Then, we motivate a novel Mutual Information minimization strategy to prevent information leakage between common and salient distributions. We validate our method, called SepCLR, on three visual datasets and three medical datasets, specifically conceived to assess the pattern separation capability in Contrastive Analysis. Code available at https://github.com/neurospin-projects/2024_rlouiset_sep_clr.

  • 4 authors
·
Feb 19, 2024

Lie Group Decompositions for Equivariant Neural Networks

Invariance and equivariance to geometrical transformations have proven to be very useful inductive biases when training (convolutional) neural network models, especially in the low-data regime. Much work has focused on the case where the symmetry group employed is compact or abelian, or both. Recent work has explored enlarging the class of transformations used to the case of Lie groups, principally through the use of their Lie algebra, as well as the group exponential and logarithm maps. The applicability of such methods to larger transformation groups is limited by the fact that depending on the group of interest G, the exponential map may not be surjective. Further limitations are encountered when G is neither compact nor abelian. Using the structure and geometry of Lie groups and their homogeneous spaces, we present a framework by which it is possible to work with such groups primarily focusing on the Lie groups G = GL^{+}(n, R) and G = SL(n, R), as well as their representation as affine transformations R^{n} rtimes G. Invariant integration as well as a global parametrization is realized by decomposing the `larger` groups into subgroups and submanifolds which can be handled individually. Under this framework, we show how convolution kernels can be parametrized to build models equivariant with respect to affine transformations. We evaluate the robustness and out-of-distribution generalisation capability of our model on the standard affine-invariant benchmark classification task, where we outperform all previous equivariant models as well as all Capsule Network proposals.

  • 2 authors
·
Oct 17, 2023

Looped SSMs: Depth-Recurrence and Input Reshaping for Time Series Classification

State Space Models (SSMs) are inherently recurrent along the sequence dimension, yet depth-recurrence - reusing the same block repeatedly across layers, as recently applied in looped transformers - has not been explored in this model family. We show that a looped SSM with k parameters iterated L times consistently closely matches or outperforms a standard SSM with k cdot L independent parameters across four architectures (LRU, S5, LinOSS, LrcSSM) and six time series classification benchmarks, despite operating within a strictly smaller hypothesis space, as we formally establish. Since the larger model contains the looped model as a special case, this dominance cannot be explained by expressivity and instead points to parameter sharing across depth as a beneficial inductive bias that simplifies optimization. These results demonstrate that depth-recurrence is orthogonal to sequence-recurrence and independently beneficial. We further show that input reshaping is an equally neglected design axis: concatenating timesteps for low-dimensional inputs, or flattening and rechunking the joint feature-time dimension for high-dimensional ones, yields accuracy gains of 1-6% across all models, confirmed over 5 random seeds. Both techniques provide standalone improvements that compound when combined, suggesting that depth and input reshaping are two independent and underexplored design axes for SSMs on time series.

  • 4 authors
·
May 14

Scattering Vision Transformer: Spectral Mixing Matters

Vision transformers have gained significant attention and achieved state-of-the-art performance in various computer vision tasks, including image classification, instance segmentation, and object detection. However, challenges remain in addressing attention complexity and effectively capturing fine-grained information within images. Existing solutions often resort to down-sampling operations, such as pooling, to reduce computational cost. Unfortunately, such operations are non-invertible and can result in information loss. In this paper, we present a novel approach called Scattering Vision Transformer (SVT) to tackle these challenges. SVT incorporates a spectrally scattering network that enables the capture of intricate image details. SVT overcomes the invertibility issue associated with down-sampling operations by separating low-frequency and high-frequency components. Furthermore, SVT introduces a unique spectral gating network utilizing Einstein multiplication for token and channel mixing, effectively reducing complexity. We show that SVT achieves state-of-the-art performance on the ImageNet dataset with a significant reduction in a number of parameters and FLOPS. SVT shows 2\% improvement over LiTv2 and iFormer. SVT-H-S reaches 84.2\% top-1 accuracy, while SVT-H-B reaches 85.2\% (state-of-art for base versions) and SVT-H-L reaches 85.7\% (again state-of-art for large versions). SVT also shows comparable results in other vision tasks such as instance segmentation. SVT also outperforms other transformers in transfer learning on standard datasets such as CIFAR10, CIFAR100, Oxford Flower, and Stanford Car datasets. The project page is available on this webpage.https://badripatro.github.io/svt/.

  • 2 authors
·
Nov 2, 2023

RecRecNet: Rectangling Rectified Wide-Angle Images by Thin-Plate Spline Model and DoF-based Curriculum Learning

The wide-angle lens shows appealing applications in VR technologies, but it introduces severe radial distortion into its captured image. To recover the realistic scene, previous works devote to rectifying the content of the wide-angle image. However, such a rectification solution inevitably distorts the image boundary, which potentially changes related geometric distributions and misleads the current vision perception models. In this work, we explore constructing a win-win representation on both content and boundary by contributing a new learning model, i.e., Rectangling Rectification Network (RecRecNet). In particular, we propose a thin-plate spline (TPS) module to formulate the non-linear and non-rigid transformation for rectangling images. By learning the control points on the rectified image, our model can flexibly warp the source structure to the target domain and achieves an end-to-end unsupervised deformation. To relieve the complexity of structure approximation, we then inspire our RecRecNet to learn the gradual deformation rules with a DoF (Degree of Freedom)-based curriculum learning. By increasing the DoF in each curriculum stage, namely, from similarity transformation (4-DoF) to homography transformation (8-DoF), the network is capable of investigating more detailed deformations, offering fast convergence on the final rectangling task. Experiments show the superiority of our solution over the compared methods on both quantitative and qualitative evaluations. The code and dataset will be made available.

  • 5 authors
·
Jan 4, 2023

Stationary Representations: Optimally Approximating Compatibility and Implications for Improved Model Replacements

Learning compatible representations enables the interchangeable use of semantic features as models are updated over time. This is particularly relevant in search and retrieval systems where it is crucial to avoid reprocessing of the gallery images with the updated model. While recent research has shown promising empirical evidence, there is still a lack of comprehensive theoretical understanding about learning compatible representations. In this paper, we demonstrate that the stationary representations learned by the d-Simplex fixed classifier optimally approximate compatibility representation according to the two inequality constraints of its formal definition. This not only establishes a solid foundation for future works in this line of research but also presents implications that can be exploited in practical learning scenarios. An exemplary application is the now-standard practice of downloading and fine-tuning new pre-trained models. Specifically, we show the strengths and critical issues of stationary representations in the case in which a model undergoing sequential fine-tuning is asynchronously replaced by downloading a better-performing model pre-trained elsewhere. Such a representation enables seamless delivery of retrieval service (i.e., no reprocessing of gallery images) and offers improved performance without operational disruptions during model replacement. Code available at: https://github.com/miccunifi/iamcl2r.

  • 4 authors
·
May 4, 2024

Canonicalizing Multimodal Contrastive Representation Learning

As models and data scale, independently trained networks often induce analogous notions of similarity. But, matching similarities is weaker than establishing an explicit correspondence between the representation spaces, especially for multimodal models, where consistency must hold not only within each modality, but also for the learned image-text coupling. We therefore ask: given two independently trained multimodal contrastive models (with encoders (f, g) and (f,g)) -- trained on different distributions and with different architectures -- does a systematic geometric relationship exist between their embedding spaces? If so, what form does it take, and does it hold uniformly across modalities? In this work, we show that across model families such as CLIP, SigLIP, and FLAVA, this geometric relationship is well approximated by an orthogonal map (up to a global mean shift), i.e., there exists an orthogonal map Q where Q^top Q = I such that f(x)approx Q f(x) for paired images x. Strikingly, the same Q simultaneously aligns the text encoders i.e., g(y)approx Q g(y) for texts y. Theoretically, we prove that if the multimodal kernel agrees across models on a small anchor set i.e. langle f(x), g(y)rangle approx langle f(x), g(y)rangle, then the two models must be related by a single orthogonal map Q and the same Q maps images and text across models. More broadly, this finding enables backward-compatible model upgrades, avoiding costly re-embedding, and has implications for the privacy of learned representations. Our project page: https://canonical-multimodal.github.io/

  • 5 authors
·
Feb 19

RECOMBINER: Robust and Enhanced Compression with Bayesian Implicit Neural Representations

COMpression with Bayesian Implicit NEural Representations (COMBINER) is a recent data compression method that addresses a key inefficiency of previous Implicit Neural Representation (INR)-based approaches: it avoids quantization and enables direct optimization of the rate-distortion performance. However, COMBINER still has significant limitations: 1) it uses factorized priors and posterior approximations that lack flexibility; 2) it cannot effectively adapt to local deviations from global patterns in the data; and 3) its performance can be susceptible to modeling choices and the variational parameters' initializations. Our proposed method, Robust and Enhanced COMBINER (RECOMBINER), addresses these issues by 1) enriching the variational approximation while retaining a low computational cost via a linear reparameterization of the INR weights, 2) augmenting our INRs with learnable positional encodings that enable them to adapt to local details and 3) splitting high-resolution data into patches to increase robustness and utilizing expressive hierarchical priors to capture dependency across patches. We conduct extensive experiments across several data modalities, showcasing that RECOMBINER achieves competitive results with the best INR-based methods and even outperforms autoencoder-based codecs on low-resolution images at low bitrates. Our PyTorch implementation is available at https://github.com/cambridge-mlg/RECOMBINER/.

  • 4 authors
·
Sep 29, 2023

Rethinking Vision Transformer Depth via Structural Reparameterization

The computational overhead of Vision Transformers in practice stems fundamentally from their deep architectures, yet existing acceleration strategies have primarily targeted algorithmic-level optimizations such as token pruning and attention speedup. This leaves an underexplored research question: can we reduce the number of stacked transformer layers while maintaining comparable representational capacity? To answer this, we propose a branch-based structural reparameterization technique that operates during the training phase. Our approach leverages parallel branches within transformer blocks that can be systematically consolidated into streamlined single-path models suitable for inference deployment. The consolidation mechanism works by gradually merging branches at the entry points of nonlinear components, enabling both feed-forward networks (FFN) and multi-head self-attention (MHSA) modules to undergo exact mathematical reparameterization without inducing approximation errors at test time. When applied to ViT-Tiny, the framework successfully reduces the original 12-layer architecture to 6, 4, or as few as 3 layers while maintaining classification accuracy on ImageNet-1K. The resulting compressed models achieve inference speedups of up to 37% on mobile CPU platforms. Our findings suggest that the conventional wisdom favoring extremely deep transformer stacks may be unnecessarily restrictive, and point toward new opportunities for constructing efficient vision transformers.

  • 3 authors
·
Nov 23, 2025

Scale-Equalizing Pyramid Convolution for Object Detection

Feature pyramid has been an efficient method to extract features at different scales. Development over this method mainly focuses on aggregating contextual information at different levels while seldom touching the inter-level correlation in the feature pyramid. Early computer vision methods extracted scale-invariant features by locating the feature extrema in both spatial and scale dimension. Inspired by this, a convolution across the pyramid level is proposed in this study, which is termed pyramid convolution and is a modified 3-D convolution. Stacked pyramid convolutions directly extract 3-D (scale and spatial) features and outperforms other meticulously designed feature fusion modules. Based on the viewpoint of 3-D convolution, an integrated batch normalization that collects statistics from the whole feature pyramid is naturally inserted after the pyramid convolution. Furthermore, we also show that the naive pyramid convolution, together with the design of RetinaNet head, actually best applies for extracting features from a Gaussian pyramid, whose properties can hardly be satisfied by a feature pyramid. In order to alleviate this discrepancy, we build a scale-equalizing pyramid convolution (SEPC) that aligns the shared pyramid convolution kernel only at high-level feature maps. Being computationally efficient and compatible with the head design of most single-stage object detectors, the SEPC module brings significant performance improvement (>4AP increase on MS-COCO2017 dataset) in state-of-the-art one-stage object detectors, and a light version of SEPC also has sim3.5AP gain with only around 7% inference time increase. The pyramid convolution also functions well as a stand-alone module in two-stage object detectors and is able to improve the performance by sim2AP. The source code can be found at https://github.com/jshilong/SEPC.

  • 5 authors
·
May 6, 2020

Parsed Categoric Encodings with Automunge

The Automunge open source python library platform for tabular data pre-processing automates feature engineering data transformations of numerical encoding and missing data infill to received tidy data on bases fit to properties of columns in a designated train set for consistent and efficient application to subsequent data pipelines such as for inference, where transformations may be applied to distinct columns in "family tree" sets with generations and branches of derivations. Included in the library of transformations are methods to extract structure from bounded categorical string sets by way of automated string parsing, in which comparisons between entries in the set of unique values are parsed to identify character subset overlaps which may be encoded by appended columns of boolean overlap detection activations or by replacing string entries with identified overlap partitions. Further string parsing options, which may also be applied to unbounded categoric sets, include extraction of numeric substring partitions from entries or search functions to identify presence of specified substring partitions. The aggregation of these methods into "family tree" sets of transformations are demonstrated for use to automatically extract structure from categoric string compositions in relation to the set of entries in a column, such as may be applied to prepare categoric string set encodings for machine learning without human intervention.

  • 1 authors
·
Feb 18, 2022

MaIR: A Locality- and Continuity-Preserving Mamba for Image Restoration

Recent advancements in Mamba have shown promising results in image restoration. These methods typically flatten 2D images into multiple distinct 1D sequences along rows and columns, process each sequence independently using selective scan operation, and recombine them to form the outputs. However, such a paradigm overlooks two vital aspects: i) the local relationships and spatial continuity inherent in natural images, and ii) the discrepancies among sequences unfolded through totally different ways. To overcome the drawbacks, we explore two problems in Mamba-based restoration methods: i) how to design a scanning strategy preserving both locality and continuity while facilitating restoration, and ii) how to aggregate the distinct sequences unfolded in totally different ways. To address these problems, we propose a novel Mamba-based Image Restoration model (MaIR), which consists of Nested S-shaped Scanning strategy (NSS) and Sequence Shuffle Attention block (SSA). Specifically, NSS preserves locality and continuity of the input images through the stripe-based scanning region and the S-shaped scanning path, respectively. SSA aggregates sequences through calculating attention weights within the corresponding channels of different sequences. Thanks to NSS and SSA, MaIR surpasses 40 baselines across 14 challenging datasets, achieving state-of-the-art performance on the tasks of image super-resolution, denoising, deblurring and dehazing. The code is available at https://github.com/XLearning-SCU/2025-CVPR-MaIR.

  • 6 authors
·
Dec 28, 2024

Reducing the Transformer Architecture to a Minimum

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

  • 5 authors
·
Oct 17, 2024

Panoptic SegFormer: Delving Deeper into Panoptic Segmentation with Transformers

Panoptic segmentation involves a combination of joint semantic segmentation and instance segmentation, where image contents are divided into two types: things and stuff. We present Panoptic SegFormer, a general framework for panoptic segmentation with transformers. It contains three innovative components: an efficient deeply-supervised mask decoder, a query decoupling strategy, and an improved post-processing method. We also use Deformable DETR to efficiently process multi-scale features, which is a fast and efficient version of DETR. Specifically, we supervise the attention modules in the mask decoder in a layer-wise manner. This deep supervision strategy lets the attention modules quickly focus on meaningful semantic regions. It improves performance and reduces the number of required training epochs by half compared to Deformable DETR. Our query decoupling strategy decouples the responsibilities of the query set and avoids mutual interference between things and stuff. In addition, our post-processing strategy improves performance without additional costs by jointly considering classification and segmentation qualities to resolve conflicting mask overlaps. Our approach increases the accuracy 6.2\% PQ over the baseline DETR model. Panoptic SegFormer achieves state-of-the-art results on COCO test-dev with 56.2\% PQ. It also shows stronger zero-shot robustness over existing methods. The code is released at https://github.com/zhiqi-li/Panoptic-SegFormer.

  • 8 authors
·
Sep 8, 2021

FlattenGPT: Depth Compression for Transformer with Layer Flattening

Recent works have indicated redundancy across transformer blocks, prompting the research of depth compression to prune less crucial blocks. However, current ways of entire-block pruning suffer from risks of discarding meaningful cues learned in those blocks, leading to substantial performance degradation. As another line of model compression, channel pruning can better preserve performance, while it cannot reduce model depth and is challenged by inconsistent pruning ratios for individual layers. To pursue better model compression and acceleration, this paper proposes FlattenGPT, a novel way to detect and reduce depth-wise redundancies. By flatting two adjacent blocks into one, it compresses the network depth, meanwhile enables more effective parameter redundancy detection and removal. FlattenGPT allows to preserve the knowledge learned in all blocks, and remains consistent with the original transformer architecture. Extensive experiments demonstrate that FlattenGPT enhances model efficiency with a decent trade-off to performance. It outperforms existing pruning methods in both zero-shot accuracies and WikiText-2 perplexity across various model types and parameter sizes. On LLaMA-2/3 and Qwen-1.5 models, FlattenGPT retains 90-96\% of zero-shot performance with a compression ratio of 20\%. It also outperforms other pruning methods in accelerating LLM inference, making it promising for enhancing the efficiency of transformers.

  • 6 authors
·
Feb 9

IA-RED^2: Interpretability-Aware Redundancy Reduction for Vision Transformers

The self-attention-based model, transformer, is recently becoming the leading backbone in the field of computer vision. In spite of the impressive success made by transformers in a variety of vision tasks, it still suffers from heavy computation and intensive memory costs. To address this limitation, this paper presents an Interpretability-Aware REDundancy REDuction framework (IA-RED^2). We start by observing a large amount of redundant computation, mainly spent on uncorrelated input patches, and then introduce an interpretable module to dynamically and gracefully drop these redundant patches. This novel framework is then extended to a hierarchical structure, where uncorrelated tokens at different stages are gradually removed, resulting in a considerable shrinkage of computational cost. We include extensive experiments on both image and video tasks, where our method could deliver up to 1.4x speed-up for state-of-the-art models like DeiT and TimeSformer, by only sacrificing less than 0.7% accuracy. More importantly, contrary to other acceleration approaches, our method is inherently interpretable with substantial visual evidence, making vision transformer closer to a more human-understandable architecture while being lighter. We demonstrate that the interpretability that naturally emerged in our framework can outperform the raw attention learned by the original visual transformer, as well as those generated by off-the-shelf interpretation methods, with both qualitative and quantitative results. Project Page: http://people.csail.mit.edu/bpan/ia-red/.

  • 6 authors
·
Jun 23, 2021

Backward-Compatible Aligned Representations via an Orthogonal Transformation Layer

Visual retrieval systems face significant challenges when updating models with improved representations due to misalignment between the old and new representations. The costly and resource-intensive backfilling process involves recalculating feature vectors for images in the gallery set whenever a new model is introduced. To address this, prior research has explored backward-compatible training methods that enable direct comparisons between new and old representations without backfilling. Despite these advancements, achieving a balance between backward compatibility and the performance of independently trained models remains an open problem. In this paper, we address it by expanding the representation space with additional dimensions and learning an orthogonal transformation to achieve compatibility with old models and, at the same time, integrate new information. This transformation preserves the original feature space's geometry, ensuring that our model aligns with previous versions while also learning new data. Our Orthogonal Compatible Aligned (OCA) approach eliminates the need for re-indexing during model updates and ensures that features can be compared directly across different model updates without additional mapping functions. Experimental results on CIFAR-100 and ImageNet-1k demonstrate that our method not only maintains compatibility with previous models but also achieves state-of-the-art accuracy, outperforming several existing methods.

  • 4 authors
·
Aug 16, 2024 2

On the Continuity of Rotation Representations in Neural Networks

In neural networks, it is often desirable to work with various representations of the same space. For example, 3D rotations can be represented with quaternions or Euler angles. In this paper, we advance a definition of a continuous representation, which can be helpful for training deep neural networks. We relate this to topological concepts such as homeomorphism and embedding. We then investigate what are continuous and discontinuous representations for 2D, 3D, and n-dimensional rotations. We demonstrate that for 3D rotations, all representations are discontinuous in the real Euclidean spaces of four or fewer dimensions. Thus, widely used representations such as quaternions and Euler angles are discontinuous and difficult for neural networks to learn. We show that the 3D rotations have continuous representations in 5D and 6D, which are more suitable for learning. We also present continuous representations for the general case of the n-dimensional rotation group SO(n). While our main focus is on rotations, we also show that our constructions apply to other groups such as the orthogonal group and similarity transforms. We finally present empirical results, which show that our continuous rotation representations outperform discontinuous ones for several practical problems in graphics and vision, including a simple autoencoder sanity test, a rotation estimator for 3D point clouds, and an inverse kinematics solver for 3D human poses.

  • 5 authors
·
Dec 17, 2018

Boosting Adversarial Transferability by Block Shuffle and Rotation

Adversarial examples mislead deep neural networks with imperceptible perturbations and have brought significant threats to deep learning. An important aspect is their transferability, which refers to their ability to deceive other models, thus enabling attacks in the black-box setting. Though various methods have been proposed to boost transferability, the performance still falls short compared with white-box attacks. In this work, we observe that existing input transformation based attacks, one of the mainstream transfer-based attacks, result in different attention heatmaps on various models, which might limit the transferability. We also find that breaking the intrinsic relation of the image can disrupt the attention heatmap of the original image. Based on this finding, we propose a novel input transformation based attack called block shuffle and rotation (BSR). Specifically, BSR splits the input image into several blocks, then randomly shuffles and rotates these blocks to construct a set of new images for gradient calculation. Empirical evaluations on the ImageNet dataset demonstrate that BSR could achieve significantly better transferability than the existing input transformation based methods under single-model and ensemble-model settings. Combining BSR with the current input transformation method can further improve the transferability, which significantly outperforms the state-of-the-art methods. Code is available at https://github.com/Trustworthy-AI-Group/BSR

  • 4 authors
·
Mar 24, 2024