Daily Papers

We introduce QuaRot, a new Quantization scheme based on Rotations, which is able to quantize LLMs end-to-end, including all weights, activations, and KV cache in 4 bits. QuaRot rotates LLMs in a way that removes outliers from the hidden state without changing the output, making quantization easier. This computational invariance is applied to the hidden state (residual) of the LLM, as well as to the activations of the feed-forward components, aspects of the attention mechanism and to the KV cache. The result is a quantized model where all matrix multiplications are performed in 4-bits, without any channels identified for retention in higher precision. Our quantized LLaMa2-70B model has losses of at most 0.29 WikiText-2 perplexity and retains 99% of the zero-shot performance. Code is available at: https://github.com/spcl/QuaRot.

To measure the difference between two probability distributions, referred to as the source and target, respectively, we exploit both the chain rule and Bayes' theorem to construct conditional transport (CT), which is constituted by both a forward component and a backward one. The forward CT is the expected cost of moving a source data point to a target one, with their joint distribution defined by the product of the source probability density function (PDF) and a source-dependent conditional distribution, which is related to the target PDF via Bayes' theorem. The backward CT is defined by reversing the direction. The CT cost can be approximated by replacing the source and target PDFs with their discrete empirical distributions supported on mini-batches, making it amenable to implicit distributions and stochastic gradient descent-based optimization. When applied to train a generative model, CT is shown to strike a good balance between mode-covering and mode-seeking behaviors and strongly resist mode collapse. On a wide variety of benchmark datasets for generative modeling, substituting the default statistical distance of an existing generative adversarial network with CT is shown to consistently improve the performance. PyTorch code is provided.

AI alignment aims to make AI systems behave in line with human intentions and values. As AI systems grow more capable, so do risks from misalignment. To provide a comprehensive and up-to-date overview of the alignment field, in this survey, we delve into the core concepts, methodology, and practice of alignment. First, we identify four principles as the key objectives of AI alignment: Robustness, Interpretability, Controllability, and Ethicality (RICE). Guided by these four principles, we outline the landscape of current alignment research and decompose them into two key components: forward alignment and backward alignment. The former aims to make AI systems aligned via alignment training, while the latter aims to gain evidence about the systems' alignment and govern them appropriately to avoid exacerbating misalignment risks. On forward alignment, we discuss techniques for learning from feedback and learning under distribution shift. On backward alignment, we discuss assurance techniques and governance practices. We also release and continually update the website (www.alignmentsurvey.com) which features tutorials, collections of papers, blog posts, and other resources.

The large number of parameters in Pretrained Language Models enhance their performance, but also make them resource-intensive, making it challenging to deploy them on commodity hardware like a single GPU. Due to the memory and power limitations of these devices, model compression techniques are often used to decrease both the model's size and its inference latency. This usually results in a trade-off between model accuracy and efficiency. Therefore, optimizing this balance is essential for effectively deploying LLMs on commodity hardware. A significant portion of the efficiency challenge is the Feed-forward network (FFN) component, which accounts for roughly 2{3} total parameters and inference latency. In this paper, we first observe that only a few neurons of FFN module have large output norm for any input tokens, a.k.a. heavy hitters, while the others are sparsely triggered by different tokens. Based on this observation, we explicitly split the FFN into two parts according to the heavy hitters. We improve the efficiency-accuracy trade-off of existing compression methods by allocating more resource to FFN parts with heavy hitters. In practice, our method can reduce model size by 43.1\% and bring 1.25sim1.56times wall clock time speedup on different hardware with negligible accuracy drop.

We present DriveGen3D, a novel framework for generating high-quality and highly controllable dynamic 3D driving scenes that addresses critical limitations in existing methodologies. Current approaches to driving scene synthesis either suffer from prohibitive computational demands for extended temporal generation, focus exclusively on prolonged video synthesis without 3D representation, or restrict themselves to static single-scene reconstruction. Our work bridges this methodological gap by integrating accelerated long-term video generation with large-scale dynamic scene reconstruction through multimodal conditional control. DriveGen3D introduces a unified pipeline consisting of two specialized components: FastDrive-DiT, an efficient video diffusion transformer for high-resolution, temporally coherent video synthesis under text and Bird's-Eye-View (BEV) layout guidance; and FastRecon3D, a feed-forward reconstruction module that rapidly builds 3D Gaussian representations across time, ensuring spatial-temporal consistency. Together, these components enable real-time generation of extended driving videos (up to 424times800 at 12 FPS) and corresponding dynamic 3D scenes, achieving SSIM of 0.811 and PSNR of 22.84 on novel view synthesis, all while maintaining parameter efficiency.

Currently, one main research line in designing a more efficient vision transformer is reducing the computational cost of self attention modules by adopting sparse attention or using local attention windows. In contrast, we propose a different approach that aims to improve the performance of transformer-based architectures by densifying the attention pattern. Specifically, we proposed forward cross attention for hybrid vision transformer (FcaFormer), where tokens from previous blocks in the same stage are secondary used. To achieve this, the FcaFormer leverages two innovative components: learnable scale factors (LSFs) and a token merge and enhancement module (TME). The LSFs enable efficient processing of cross tokens, while the TME generates representative cross tokens. By integrating these components, the proposed FcaFormer enhances the interactions of tokens across blocks with potentially different semantics, and encourages more information flows to the lower levels. Based on the forward cross attention (Fca), we have designed a series of FcaFormer models that achieve the best trade-off between model size, computational cost, memory cost, and accuracy. For example, without the need for knowledge distillation to strengthen training, our FcaFormer achieves 83.1% top-1 accuracy on Imagenet with only 16.3 million parameters and about 3.6 billion MACs. This saves almost half of the parameters and a few computational costs while achieving 0.7% higher accuracy compared to distilled EfficientFormer.

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.

Recent work has shown that feed-forward networks (FFNs) in pre-trained Transformers are a key component, storing various linguistic and factual knowledge. However, the computational patterns of FFNs are still unclear. In this work, we study the computational patterns of FFNs and observe that most inputs only activate a tiny ratio of neurons of FFNs. This phenomenon is similar to the sparsity of the human brain, which drives research on functional partitions of the human brain. To verify whether functional partitions also emerge in FFNs, we propose to convert a model into its MoE version with the same parameters, namely MoEfication. Specifically, MoEfication consists of two phases: (1) splitting the parameters of FFNs into multiple functional partitions as experts, and (2) building expert routers to decide which experts will be used for each input. Experimental results show that MoEfication can conditionally use 10% to 30% of FFN parameters while maintaining over 95% original performance for different models on various downstream tasks. Besides, MoEfication brings two advantages: (1) it significantly reduces the FLOPS of inference, i.e., 2x speedup with 25% of FFN parameters, and (2) it provides a fine-grained perspective to study the inner mechanism of FFNs. The source code of this paper can be obtained from https://github.com/thunlp/MoEfication.

The integration of slow-thinking mechanisms into large language models (LLMs) offers a promising way toward achieving Level 2 AGI Reasoners, as exemplified by systems like OpenAI's o1. However, several significant challenges remain, including inefficient overthinking and an overreliance on auxiliary reward models. We point out that these limitations stem from LLMs' inability to internalize the search process, a key component of effective reasoning. A critical step toward addressing this issue is enabling LLMs to autonomously determine when and where to backtrack, a fundamental operation in traditional search algorithms. To this end, we propose a self-backtracking mechanism that equips LLMs with the ability to backtrack during both training and inference. This mechanism not only enhances reasoning ability but also efficiency by transforming slow-thinking processes into fast-thinking through self-improvement. Empirical evaluations demonstrate that our proposal significantly enhances the reasoning capabilities of LLMs, achieving a performance gain of over 40 percent compared to the optimal-path supervised fine-tuning method. We believe this study introduces a novel and promising pathway for developing more advanced and robust Reasoners.

This work presents an analysis of the effectiveness of using standard shallow feed-forward networks to mimic the behavior of the attention mechanism in the original Transformer model, a state-of-the-art architecture for sequence-to-sequence tasks. We substitute key elements of the attention mechanism in the Transformer with simple feed-forward networks, trained using the original components via knowledge distillation. Our experiments, conducted on the IWSLT2017 dataset, reveal the capacity of these "attentionless Transformers" to rival the performance of the original architecture. Through rigorous ablation studies, and experimenting with various replacement network types and sizes, we offer insights that support the viability of our approach. This not only sheds light on the adaptability of shallow feed-forward networks in emulating attention mechanisms but also underscores their potential to streamline complex architectures for sequence-to-sequence tasks.

As large language models (LLMs) scale, the question is not only how large they become, but how much of their capacity is effectively utilized. Existing scaling laws relate model size to loss, yet overlook how components exploit their latent space. We study feed-forward networks (FFNs) and recast width selection as a spectral utilization problem. Using a lightweight diagnostic suite -- Hard Rank (participation ratio), Soft Rank (Shannon rank), Spectral Concentration, and the composite Spectral Utilization Index (SUI) -- we quantify how many latent directions are meaningfully activated across LLaMA, GPT-2, and nGPT families. Our key finding is an asymmetric spectral scaling law: soft rank follows an almost perfect power law with FFN width, while hard rank grows only sublinearly and with high variance. This asymmetry suggests that widening FFNs mostly adds low-energy tail directions, while dominant-mode subspaces saturate early. Moreover, at larger widths, variance further collapses into a narrow subspace, leaving much of the latent space under-utilized. These results recast FFN width selection as a principled trade-off between tail capacity and dominant-mode capacity, offering concrete guidance for inference-efficient LLM design.

Cross-view matching is fundamentally achieved through cross-attention mechanisms. However, matching of high-resolution images remains challenging due to the quadratic complexity and lack of explicit matching constraints in the existing cross-attention. This paper proposes an attention mechanism, MatchAttention, that dynamically matches relative positions. The relative position determines the attention sampling center of the key-value pairs given a query. Continuous and differentiable sliding-window attention sampling is achieved by the proposed BilinearSoftmax. The relative positions are iteratively updated through residual connections across layers by embedding them into the feature channels. Since the relative position is exactly the learning target for cross-view matching, an efficient hierarchical cross-view decoder, MatchDecoder, is designed with MatchAttention as its core component. To handle cross-view occlusions, gated cross-MatchAttention and a consistency-constrained loss are proposed. These two components collectively mitigate the impact of occlusions in both forward and backward passes, allowing the model to focus more on learning matching relationships. When applied to stereo matching, MatchStereo-B ranked 1st in average error on the public Middlebury benchmark and requires only 29ms for KITTI-resolution inference. MatchStereo-T can process 4K UHD images in 0.1 seconds using only 3GB of GPU memory. The proposed models also achieve state-of-the-art performance on KITTI 2012, KITTI 2015, ETH3D, and Spring flow datasets. The combination of high accuracy and low computational complexity makes real-time, high-resolution, and high-accuracy cross-view matching possible. Code is available at https://github.com/TingmanYan/MatchAttention.

Traffic forecasting represents a crucial problem within intelligent transportation systems. In recent research, Large Language Models (LLMs) have emerged as a promising method, but their intrinsic design, tailored primarily for sequential token processing, introduces notable challenges in effectively capturing spatial dependencies. Specifically, the inherent limitations of LLMs in modeling spatial relationships and their architectural incompatibility with graph-structured spatial data remain largely unaddressed. To overcome these limitations, we introduce ST-LINK, a novel framework that enhances the capability of Large Language Models to capture spatio-temporal dependencies. Its key components are Spatially-Enhanced Attention (SE-Attention) and the Memory Retrieval Feed-Forward Network (MRFFN). SE-Attention extends rotary position embeddings to integrate spatial correlations as direct rotational transformations within the attention mechanism. This approach maximizes spatial learning while preserving the LLM's inherent sequential processing structure. Meanwhile, MRFFN dynamically retrieves and utilizes key historical patterns to capture complex temporal dependencies and improve the stability of long-term forecasting. Comprehensive experiments on benchmark datasets demonstrate that ST-LINK surpasses conventional deep learning and LLM approaches, and effectively captures both regular traffic patterns and abrupt changes.

What is the computational model behind a Transformer? Where recurrent neural networks have direct parallels in finite state machines, allowing clear discussion and thought around architecture variants or trained models, Transformers have no such familiar parallel. In this paper we aim to change that, proposing a computational model for the transformer-encoder in the form of a programming language. We map the basic components of a transformer-encoder -- attention and feed-forward computation -- into simple primitives, around which we form a programming language: the Restricted Access Sequence Processing Language (RASP). We show how RASP can be used to program solutions to tasks that could conceivably be learned by a Transformer, and how a Transformer can be trained to mimic a RASP solution. In particular, we provide RASP programs for histograms, sorting, and Dyck-languages. We further use our model to relate their difficulty in terms of the number of required layers and attention heads: analyzing a RASP program implies a maximum number of heads and layers necessary to encode a task in a transformer. Finally, we see how insights gained from our abstraction might be used to explain phenomena seen in recent works.

Shift operation is an efficient alternative over depthwise separable convolution. However, it is still bottlenecked by its implementation manner, namely memory movement. To put this direction forward, a new and novel basic component named Sparse Shift Layer (SSL) is introduced in this paper to construct efficient convolutional neural networks. In this family of architectures, the basic block is only composed by 1x1 convolutional layers with only a few shift operations applied to the intermediate feature maps. To make this idea feasible, we introduce shift operation penalty during optimization and further propose a quantization-aware shift learning method to impose the learned displacement more friendly for inference. Extensive ablation studies indicate that only a few shift operations are sufficient to provide spatial information communication. Furthermore, to maximize the role of SSL, we redesign an improved network architecture to Fully Exploit the limited capacity of neural Network (FE-Net). Equipped with SSL, this network can achieve 75.0% top-1 accuracy on ImageNet with only 563M M-Adds. It surpasses other counterparts constructed by depthwise separable convolution and the networks searched by NAS in terms of accuracy and practical speed.

The Transformer architecture has two main non-embedding components: Attention and the Feed Forward Network (FFN). Attention captures interdependencies between words regardless of their position, while the FFN non-linearly transforms each input token independently. In this work we explore the role of the FFN, and find that despite taking up a significant fraction of the model's parameters, it is highly redundant. Concretely, we are able to substantially reduce the number of parameters with only a modest drop in accuracy by removing the FFN on the decoder layers and sharing a single FFN across the encoder. Finally we scale this architecture back to its original size by increasing the hidden dimension of the shared FFN, achieving substantial gains in both accuracy and latency with respect to the original Transformer Big.

Large language models are becoming the go-to solution for the ever-growing number of tasks. However, with growing capacity, models are prone to rely on spurious correlations stemming from biases and stereotypes present in the training data. This work proposes a novel method for detecting and mitigating gender bias in language models. We perform causal analysis to identify problematic model components and discover that mid-upper feed-forward layers are most prone to convey bias. Based on the analysis results, we intervene in the model by applying a linear projection to the weight matrices of these layers. Our titular method, DAMA, significantly decreases bias as measured by diverse metrics while maintaining the model's performance on downstream tasks. We release code for our method and models, which retrain LLaMA's state-of-the-art performance while being significantly less biased.

Deep learning (DL) models for tabular data problems are receiving increasingly more attention, while the algorithms based on gradient-boosted decision trees (GBDT) remain a strong go-to solution. Following the recent trends in other domains, such as natural language processing and computer vision, several retrieval-augmented tabular DL models have been recently proposed. For a given target object, a retrieval-based model retrieves other relevant objects, such as the nearest neighbors, from the available (training) data and uses their features or even labels to make a better prediction. However, we show that the existing retrieval-based tabular DL solutions provide only minor, if any, benefits over the properly tuned simple retrieval-free baselines. Thus, it remains unclear whether the retrieval-based approach is a worthy direction for tabular DL. In this work, we give a strong positive answer to this question. We start by incrementally augmenting a simple feed-forward architecture with an attention-like retrieval component similar to those of many (tabular) retrieval-based models. Then, we highlight several details of the attention mechanism that turn out to have a massive impact on the performance on tabular data problems, but that were not explored in prior work. As a result, we design TabR -- a simple retrieval-based tabular DL model which, on a set of public benchmarks, demonstrates the best average performance among tabular DL models, becomes the new state-of-the-art on several datasets, and even outperforms GBDT models on the recently proposed ``GBDT-friendly'' benchmark (see the first figure).

The Muon optimizer is consistently faster than Adam in training Large Language Models (LLMs), yet the mechanism underlying its success remains unclear. This paper demystifies this mechanism through the lens of associative memory. By ablating the transformer components optimized by Muon, we reveal that the associative memory parameters of LLMs, namely the Value and Output (VO) attention weights and Feed-Forward Networks (FFNs), are the primary contributors to Muon's superiority. Motivated by this associative memory view, we then explain Muon's superiority on real-world corpora, which are intrinsically heavy-tailed: a few classes (tail classes) appear far less frequently than others. The superiority is explained through two key properties: (i) its update rule consistently yields a more isotropic singular spectrum than Adam; and as a result, (ii) on heavy-tailed data, it optimizes tail classes more effectively than Adam. Beyond empirical evidence, we theoretically confirm these findings by analyzing a one-layer associative memory model under class-imbalanced data. We prove that Muon consistently achieves balanced learning across classes regardless of feature embeddings, whereas Adam can induce large disparities in learning errors depending on embedding properties. In summary, our empirical observations and theoretical analyses reveal Muon's core advantage: its update rule aligns with the outer-product structure of linear associative memories, enabling more balanced and effective learning of tail classes in heavy-tailed distributions than Adam.

Code large language models (LLMs) have become indispensable tools for building efficient and automated coding pipelines. Existing models are typically post-trained using reinforcement learning (RL) from general-purpose LLMs using "human instruction-final answer" pairs, where the instructions are usually from manual annotations. However, collecting high-quality coding instructions is both labor-intensive and difficult to scale. On the other hand, code snippets are abundantly available from various sources. This imbalance presents a major bottleneck in instruction-based post-training. We propose CodeBoost, a post-training framework that enhances code LLMs purely from code snippets, without relying on human-annotated instructions. CodeBoost introduces the following key components: (1) maximum-clique curation, which selects a representative and diverse training corpus from code; (2) bi-directional prediction, which enables the model to learn from both forward and backward prediction objectives; (3) error-aware prediction, which incorporates learning signals from both correct and incorrect outputs; (4) heterogeneous augmentation, which diversifies the training distribution to enrich code semantics; and (5) heterogeneous rewarding, which guides model learning through multiple reward types including format correctness and execution feedback from both successes and failures. Extensive experiments across several code LLMs and benchmarks verify that CodeBoost consistently improves performance, demonstrating its effectiveness as a scalable and effective training pipeline.

Self-supervised vision-language models trained with contrastive objectives form the basis of current state-of-the-art methods in AI vision tasks. The success of these models is a direct consequence of the huge web-scale datasets used to train them, but they require correspondingly large vision components to properly learn powerful and general representations from such a broad data domain. This poses a challenge for deploying large vision-language models, especially in resource-constrained environments. To address this, we propose an alternate vision-language architecture, called HyperCLIP, that uses a small image encoder along with a hypernetwork that dynamically adapts image encoder weights to each new set of text inputs. All three components of the model (hypernetwork, image encoder, and text encoder) are pre-trained jointly end-to-end, and with a trained HyperCLIP model, we can generate new zero-shot deployment-friendly image classifiers for any task with a single forward pass through the text encoder and hypernetwork. HyperCLIP increases the zero-shot accuracy of SigLIP trained models with small image encoders by up to 3% on ImageNet and 5% on CIFAR-100 with minimal training throughput overhead.

Modern transformer-based Large Language Models (LLMs) are constructed with a series of decoder blocks. Each block comprises three key components: (1) QKV generation, (2) multi-head attention, and (3) feed-forward networks. In batched processing, QKV generation and feed-forward networks involve compute-intensive matrix-matrix multiplications (GEMM), while multi-head attention requires bandwidth-heavy matrix-vector multiplications (GEMV). Machine learning accelerators like TPUs or NPUs are proficient in handling GEMM but are less efficient for GEMV computations. Conversely, Processing-in-Memory (PIM) technology is tailored for efficient GEMV computation, while it lacks the computational power to handle GEMM effectively. Inspired by this insight, we propose NeuPIMs, a heterogeneous acceleration system that jointly exploits a conventional GEMM-focused NPU and GEMV-optimized PIM devices. The main challenge in efficiently integrating NPU and PIM lies in enabling concurrent operations on both platforms, each addressing a specific kernel type. First, existing PIMs typically operate in a "blocked" mode, allowing only either NPU or PIM to be active at any given time. Second, the inherent dependencies between GEMM and GEMV in LLMs restrict their parallel processing. To tackle these challenges, NeuPIMs is equipped with dual row buffers in each bank, facilitating the simultaneous management of memory read/write operations and PIM commands. Further, NeuPIMs employs a runtime sub-batch interleaving technique to maximize concurrent execution, leveraging batch parallelism to allow two independent sub-batches to be pipelined within a single NeuPIMs device. Our evaluation demonstrates that compared to GPU-only, NPU-only, and a na\"ive NPU+PIM integrated acceleration approaches, NeuPIMs achieves 3times, 2.4times and 1.6times throughput improvement, respectively.

Existing methods enhance the training of detection transformers by incorporating an auxiliary one-to-many assignment. In this work, we treat the model as a multi-task framework, simultaneously performing one-to-one and one-to-many predictions. We investigate the roles of each component in the transformer decoder across these two training targets, including self-attention, cross-attention, and feed-forward network. Our empirical results demonstrate that any independent component in the decoder can effectively learn both targets simultaneously, even when other components are shared. This finding leads us to propose a multi-route training mechanism, featuring a primary route for one-to-one prediction and two auxiliary training routes for one-to-many prediction. We enhance the training mechanism with a novel instructive self-attention that dynamically and flexibly guides object queries for one-to-many prediction. The auxiliary routes are removed during inference, ensuring no impact on model architecture or inference cost. We conduct extensive experiments on various baselines, achieving consistent improvements as shown in Figure 1. Project page: https://visual-ai.github.io/mrdetr

Implicit Neural Representation (INR) has emerged as a powerful tool for encoding discrete signals into continuous, differentiable functions using neural networks. However, these models often have an unfortunate reliance on monolithic architectures to represent high-dimensional data, leading to prohibitive computational costs as dimensionality grows. We propose F-INR, a framework that reformulates INR learning through functional tensor decomposition, breaking down high-dimensional tasks into lightweight, axis-specific sub-networks. Each sub-network learns a low-dimensional data component (e.g., spatial or temporal). Then, we combine these components via tensor operations, reducing forward pass complexity while improving accuracy through specialized learning. F-INR is modular and, therefore, architecture-agnostic, compatible with MLPs, SIREN, WIRE, or other state-of-the-art INR architecture. It is also decomposition-agnostic, supporting CP, TT, and Tucker modes with user-defined rank for speed-accuracy control. In our experiments, F-INR trains 100times faster than existing approaches on video tasks while achieving higher fidelity (+3.4 dB PSNR). Similar gains hold for image compression, physics simulations, and 3D geometry reconstruction. Through this, F-INR offers a new scalable, flexible solution for high-dimensional signal modeling.

In this paper, we prove representation bottlenecks of a cascaded convolutional decoder network, considering the capacity of representing different frequency components of an input sample. We conduct the discrete Fourier transform on each channel of the feature map in an intermediate layer of the decoder network. Then, we introduce the rule of the forward propagation of such intermediate-layer spectrum maps, which is equivalent to the forward propagation of feature maps through a convolutional layer. Based on this, we find that each frequency component in the spectrum map is forward propagated independently with other frequency components. Furthermore, we prove two bottlenecks in representing feature spectrums. First, we prove that the convolution operation, the zero-padding operation, and a set of other settings all make a convolutional decoder network more likely to weaken high-frequency components. Second, we prove that the upsampling operation generates a feature spectrum, in which strong signals repetitively appears at certain frequencies.

Generative models trained at scale can now produce text, video, and more recently, scientific data such as crystal structures. In applications of generative approaches to materials science, and in particular to crystal structures, the guidance from the domain expert in the form of high-level instructions can be essential for an automated system to output candidate crystals that are viable for downstream research. In this work, we formulate end-to-end language-to-structure generation as a multi-objective optimization problem, and propose Generative Hierarchical Materials Search (GenMS) for controllable generation of crystal structures. GenMS consists of (1) a language model that takes high-level natural language as input and generates intermediate textual information about a crystal (e.g., chemical formulae), and (2) a diffusion model that takes intermediate information as input and generates low-level continuous value crystal structures. GenMS additionally uses a graph neural network to predict properties (e.g., formation energy) from the generated crystal structures. During inference, GenMS leverages all three components to conduct a forward tree search over the space of possible structures. Experiments show that GenMS outperforms other alternatives of directly using language models to generate structures both in satisfying user request and in generating low-energy structures. We confirm that GenMS is able to generate common crystal structures such as double perovskites, or spinels, solely from natural language input, and hence can form the foundation for more complex structure generation in near future.

Early stopping monitors global validation loss and halts all parameter updates simultaneously, which is computationally costly for large transformers due to the extended time required for validation inference. We propose GradES, a novel gradient-based early stopping approach that operates within transformer components (attention projections and Feed-Forward layer matrices). We found that different components converge at varying rates during fine-tuning. GradES tracks the magnitude of gradients in backpropagation for these matrices during training. When a projection matrix's gradients fall below a convergence threshold tau, we exclude that projection matrix from further updates individually, eliminating costly validation passes while allowing slow converging matrices to continue learning. By strategically freezing parameters when their gradients converge, GradES speeds up training time by 1.57--7.22times while simultaneously enhancing generalization through early prevention of overfitting, resulting in 1.2% higher average accuracy.

Transformers exhibit impressive capabilities but are often regarded as black boxes due to challenges in understanding the complex nonlinear relationships between features. Interpreting machine learning models is of paramount importance to mitigate risks, and mechanistic interpretability is in particular of current interest as it opens up a window for guiding manual modifications and reverse-engineering solutions. In this work, we introduce contextual decomposition for transformers (CD-T), extending a prior work on CD for RNNs and CNNs, to address mechanistic interpretation computationally efficiently. CD-T is a flexible interpretation method for transformers. It can capture contributions of combinations of input features or source internal components (e.g. attention heads, feed-forward networks) to (1) final predictions or (2) the output of any target internal component. Using CD-T, we propose a novel algorithm for circuit discovery. On a real-world pathology report classification task: we show CD-T distills a more faithful circuit of attention heads with improved computational efficiency (speed up 2x) than a prior benchmark, path patching. As a versatile interpretation method, CD-T also exhibits exceptional capabilities for local interpretations. CD-T is shown to reliably find words and phrases of contrasting sentiment/topic on SST-2 and AGNews datasets. Through human experiments, we demonstrate CD-T enables users to identify the more accurate of two models and to better trust a model's outputs compared to alternative interpretation methods such as SHAP and LIME.

Learned image compression (LIC) has gained traction as an effective solution for image storage and transmission in recent years. However, existing LIC methods are redundant in latent representation due to limitations in capturing anisotropic frequency components and preserving directional details. To overcome these challenges, we propose a novel frequency-aware transformer (FAT) block that for the first time achieves multiscale directional ananlysis for LIC. The FAT block comprises frequency-decomposition window attention (FDWA) modules to capture multiscale and directional frequency components of natural images. Additionally, we introduce frequency-modulation feed-forward network (FMFFN) to adaptively modulate different frequency components, improving rate-distortion performance. Furthermore, we present a transformer-based channel-wise autoregressive (T-CA) model that effectively exploits channel dependencies. Experiments show that our method achieves state-of-the-art rate-distortion performance compared to existing LIC methods, and evidently outperforms latest standardized codec VTM-12.1 by 14.5%, 15.1%, 13.0% in BD-rate on the Kodak, Tecnick, and CLIC datasets.

In this paper, we present a Hybrid Spectral Denoising Transformer (HSDT) for hyperspectral image denoising. Challenges in adapting transformer for HSI arise from the capabilities to tackle existing limitations of CNN-based methods in capturing the global and local spatial-spectral correlations while maintaining efficiency and flexibility. To address these issues, we introduce a hybrid approach that combines the advantages of both models with a Spatial-Spectral Separable Convolution (S3Conv), Guided Spectral Self-Attention (GSSA), and Self-Modulated Feed-Forward Network (SM-FFN). Our S3Conv works as a lightweight alternative to 3D convolution, which extracts more spatial-spectral correlated features while keeping the flexibility to tackle HSIs with an arbitrary number of bands. These features are then adaptively processed by GSSA which per-forms 3D self-attention across the spectral bands, guided by a set of learnable queries that encode the spectral signatures. This not only enriches our model with powerful capabilities for identifying global spectral correlations but also maintains linear complexity. Moreover, our SM-FFN proposes the self-modulation that intensifies the activations of more informative regions, which further strengthens the aggregated features. Extensive experiments are conducted on various datasets under both simulated and real-world noise, and it shows that our HSDT significantly outperforms the existing state-of-the-art methods while maintaining low computational overhead. Code is at https: //github.com/Zeqiang-Lai/HSDT.

We employ new tools from mechanistic interpretability in order to ask whether the internal structure of large language models (LLMs) shows correspondence to the linguistic structures which underlie the languages on which they are trained. In particular, we ask (1) when two languages employ the same morphosyntactic processes, do LLMs handle them using shared internal circuitry? and (2) when two languages require different morphosyntactic processes, do LLMs handle them using different internal circuitry? Using English and Chinese multilingual and monolingual models, we analyze the internal circuitry involved in two tasks. We find evidence that models employ the same circuit to handle the same syntactic process independently of the language in which it occurs, and that this is the case even for monolingual models trained completely independently. Moreover, we show that multilingual models employ language-specific components (attention heads and feed-forward networks) when needed to handle linguistic processes (e.g., morphological marking) that only exist in some languages. Together, our results provide new insights into how LLMs trade off between exploiting common structures and preserving linguistic differences when tasked with modeling multiple languages simultaneously.

The demand for efficient natural language processing (NLP) systems has led to the development of lightweight language models. Previous work in this area has primarily focused on manual design or training-based neural architecture search (NAS) methods. Recently, zero-shot NAS methods have been proposed for evaluating language models without the need for training. However, prevailing approaches to zero-shot NAS often face challenges such as biased evaluation metrics and computational inefficiencies. In this paper, we introduce weight-weighted PCA (W-PCA), a novel zero-shot NAS method specifically tailored for lightweight language models. Our approach utilizes two evaluation proxies: the parameter count and the number of principal components with cumulative contribution exceeding eta in the feed-forward neural (FFN) layer. Additionally, by eliminating the need for gradient computations, we optimize the evaluation time, thus enhancing the efficiency of designing and evaluating lightweight language models. We conduct a comparative analysis on the GLUE and SQuAD datasets to evaluate our approach. The results demonstrate that our method significantly reduces training time compared to one-shot NAS methods and achieves higher scores in the testing phase compared to previous state-of-the-art training-based methods. Furthermore, we perform ranking evaluations on a dataset sampled from the FlexiBERT search space. Our approach exhibits superior ranking correlation and further reduces solving time compared to other zero-shot NAS methods that require gradient computation.

Metarobotics aims to combine next generation wireless communication, multi-sense immersion, and collective intelligence to provide a pervasive, itinerant, and non-invasive access and interaction with distant robotized applications. Industry and society are expected to benefit from these functionalities. For instance, robot programmers will no longer travel worldwide to plan and test robot motions, even collaboratively. Instead, they will have a personalized access to robots and their environments from anywhere, thus spending more time with family and friends. Students enrolled in robotics courses will be taught under authentic industrial conditions in real-time. This paper describes objectives of Metarobotics in society, industry, and in-between. It identifies and surveys technologies likely to enable their completion and provides an architecture to put forward the interplay of key components of Metarobotics. Potentials for self-determination, self-efficacy, and work-life-flexibility in robotics-related applications in Society 5.0, Industry 4.0, and Industry 5.0 are outlined.

Clothed avatar generation has wide applications in virtual and augmented reality, filmmaking, and more. Previous methods have achieved success in generating diverse digital avatars, however, generating avatars with disentangled components (\eg, body, hair, and clothes) has long been a challenge. In this paper, we propose LayerAvatar, the first feed-forward diffusion-based method for generating component-disentangled clothed avatars. To achieve this, we first propose a layered UV feature plane representation, where components are distributed in different layers of the Gaussian-based UV feature plane with corresponding semantic labels. This representation supports high-resolution and real-time rendering, as well as expressive animation including controllable gestures and facial expressions. Based on the well-designed representation, we train a single-stage diffusion model and introduce constrain terms to address the severe occlusion problem of the innermost human body layer. Extensive experiments demonstrate the impressive performances of our method in generating disentangled clothed avatars, and we further explore its applications in component transfer. The project page is available at: https://olivia23333.github.io/LayerAvatar/

An emerging solution for explaining Transformer-based models is to use vector-based analysis on how the representations are formed. However, providing a faithful vector-based explanation for a multi-layer model could be challenging in three aspects: (1) Incorporating all components into the analysis, (2) Aggregating the layer dynamics to determine the information flow and mixture throughout the entire model, and (3) Identifying the connection between the vector-based analysis and the model's predictions. In this paper, we present DecompX to tackle these challenges. DecompX is based on the construction of decomposed token representations and their successive propagation throughout the model without mixing them in between layers. Additionally, our proposal provides multiple advantages over existing solutions for its inclusion of all encoder components (especially nonlinear feed-forward networks) and the classification head. The former allows acquiring precise vectors while the latter transforms the decomposition into meaningful prediction-based values, eliminating the need for norm- or summation-based vector aggregation. According to the standard faithfulness evaluations, DecompX consistently outperforms existing gradient-based and vector-based approaches on various datasets. Our code is available at https://github.com/mohsenfayyaz/DecompX.

Past work has studied the effects of fine-tuning on large language models' (LLMs) overall performance on certain tasks. However, a quantitative and systematic method for analyzing its effect on individual outputs is still lacking. Here, we propose a new method for measuring the contribution that fine-tuning makes to individual LLM responses, assuming access to the original pre-trained model. Our method tracks the model's intermediate hidden states, providing a more fine-grained insight into the effects of fine-tuning than a simple comparison of final outputs from pre-trained and fine-tuned models. We introduce and theoretically analyze an exact decomposition of any fine-tuned LLM into a pre-training component and a fine-tuning component. Empirically, we find that model behavior and performance can be steered by up- or down-scaling the fine-tuning component during the forward pass. Motivated by this finding and our theoretical analysis, we define the Tuning Contribution (TuCo) as the ratio of the magnitudes of the fine-tuning component to the pre-training component. We observe that three prominent adversarial attacks on LLMs circumvent safety measures in a way that reduces TuCo, and that TuCo is consistently lower on prompts where these attacks succeed compared to those where they do not. This suggests that attenuating the effect of fine-tuning on model outputs plays a role in the success of such attacks. In summary, TuCo enables the quantitative study of how fine-tuning influences model behavior and safety, and vice versa.

Artificial Intelligence (AI) conferences are essential for advancing research, sharing knowledge, and fostering academic community. However, their rapid expansion has rendered the centralized conference model increasingly unsustainable. This paper offers a data-driven diagnosis of a structural crisis that threatens the foundational goals of scientific dissemination, equity, and community well-being. We identify four key areas of strain: (1) scientifically, with per-author publication rates more than doubling over the past decade to over 4.5 papers annually; (2) environmentally, with the carbon footprint of a single conference exceeding the daily emissions of its host city; (3) psychologically, with 71% of online community discourse reflecting negative sentiment and 35% referencing mental health concerns; and (4) logistically, with attendance at top conferences such as NeurIPS 2024 beginning to outpace venue capacity. These pressures point to a system that is misaligned with its core mission. In response, we propose the Community-Federated Conference (CFC) model, which separates peer review, presentation, and networking into globally coordinated but locally organized components, offering a more sustainable, inclusive, and resilient path forward for AI research.

Backward Filtering Forward Guiding (BFFG) is a bidirectional algorithm proposed in Mider et al. [2021] and studied more in depth in a general setting in Van der Meulen and Schauer [2022]. In category theory, optics have been proposed for modelling systems with bidirectional data flow. We connect BFFG with optics and prove that different ways of composing the building blocks of BFFG correspond to equivalent optics.

Diffusion transformers (DiT) have become the de facto choice for generating high-quality images and videos, largely due to their scalability, which enables the construction of larger models for enhanced performance. However, the increased size of these models leads to higher inference costs, making them less attractive for real-time applications. We present Fast-FORward CAching (FORA), a simple yet effective approach designed to accelerate DiT by exploiting the repetitive nature of the diffusion process. FORA implements a caching mechanism that stores and reuses intermediate outputs from the attention and MLP layers across denoising steps, thereby reducing computational overhead. This approach does not require model retraining and seamlessly integrates with existing transformer-based diffusion models. Experiments show that FORA can speed up diffusion transformers several times over while only minimally affecting performance metrics such as the IS Score and FID. By enabling faster processing with minimal trade-offs in quality, FORA represents a significant advancement in deploying diffusion transformers for real-time applications. Code will be made publicly available at: https://github.com/prathebaselva/FORA.

Solving Bayesian inverse problems efficiently remains a significant challenge due to the complexity of posterior distributions and the computational cost of traditional sampling methods. Given a series of observations and the forward model, we want to recover the distribution of the parameters, conditioned on observed experimental data. We show, that combining Conditional Flow Mathching (CFM) with transformer-based architecture, we can efficiently sample from such kind of distribution, conditioned on variable number of observations.

This work addresses image restoration tasks through the lens of inverse problems using unpaired datasets. In contrast to traditional approaches -- which typically assume full knowledge of the forward model or access to paired degraded and ground-truth images -- the proposed method operates under minimal assumptions and relies only on small, unpaired datasets. This makes it particularly well-suited for real-world scenarios, where the forward model is often unknown or misspecified, and collecting paired data is costly or infeasible. The method leverages conditional flow matching to model the distribution of degraded observations, while simultaneously learning the forward model via a distribution-matching loss that arises naturally from the framework. Empirically, it outperforms both single-image blind and unsupervised approaches on deblurring and non-uniform point spread function (PSF) calibration tasks. It also matches state-of-the-art performance on blind super-resolution. We also showcase the effectiveness of our method with a proof of concept for lens calibration: a real-world application traditionally requiring time-consuming experiments and specialized equipment. In contrast, our approach achieves this with minimal data acquisition effort.

We introduce AnySplat, a feed forward network for novel view synthesis from uncalibrated image collections. In contrast to traditional neural rendering pipelines that demand known camera poses and per scene optimization, or recent feed forward methods that buckle under the computational weight of dense views, our model predicts everything in one shot. A single forward pass yields a set of 3D Gaussian primitives encoding both scene geometry and appearance, and the corresponding camera intrinsics and extrinsics for each input image. This unified design scales effortlessly to casually captured, multi view datasets without any pose annotations. In extensive zero shot evaluations, AnySplat matches the quality of pose aware baselines in both sparse and dense view scenarios while surpassing existing pose free approaches. Moreover, it greatly reduce rendering latency compared to optimization based neural fields, bringing real time novel view synthesis within reach for unconstrained capture settings.Project page: https://city-super.github.io/anysplat/

We incorporate discrete and continuous time Markov processes as building blocks into probabilistic graphical models with latent and observed variables. We introduce the automatic Backward Filtering Forward Guiding (BFFG) paradigm (Mider et al., 2021) for programmable inference on latent states and model parameters. Our starting point is a generative model, a forward description of the probabilistic process dynamics. We backpropagate the information provided by observations through the model to transform the generative (forward) model into a pre-conditional model guided by the data. It approximates the actual conditional model with known likelihood-ratio between the two. The backward filter and the forward change of measure are suitable to be incorporated into a probabilistic programming context because they can be formulated as a set of transformation rules. The guided generative model can be incorporated in different approaches to efficiently sample latent states and parameters conditional on observations. We show applicability in a variety of settings, including Markov chains with discrete state space, interacting particle systems, state space models, branching diffusions and Gamma processes.

Diffusion (score-based) generative models have been widely used for modeling various types of complex data, including images, audios, and point clouds. Recently, the deep connection between forward-backward stochastic differential equations (SDEs) and diffusion-based models has been revealed, and several new variants of SDEs are proposed (e.g., sub-VP, critically-damped Langevin) along this line. Despite the empirical success of the hand-crafted fixed forward SDEs, a great quantity of proper forward SDEs remain unexplored. In this work, we propose a general framework for parameterizing the diffusion model, especially the spatial part of the forward SDE. An abstract formalism is introduced with theoretical guarantees, and its connection with previous diffusion models is leveraged. We demonstrate the theoretical advantage of our method from an optimization perspective. Numerical experiments on synthetic datasets, MINIST and CIFAR10 are also presented to validate the effectiveness of our framework.

Conventional diffusion models typically relies on a fixed forward process, which implicitly defines complex marginal distributions over latent variables. This can often complicate the reverse process' task in learning generative trajectories, and results in costly inference for diffusion models. To address these limitations, we introduce Neural Flow Diffusion Models (NFDM), a novel framework that enhances diffusion models by supporting a broader range of forward processes beyond the fixed linear Gaussian. We also propose a novel parameterization technique for learning the forward process. Our framework provides an end-to-end, simulation-free optimization objective, effectively minimizing a variational upper bound on the negative log-likelihood. Experimental results demonstrate NFDM's strong performance, evidenced by state-of-the-art likelihood estimation. Furthermore, we investigate NFDM's capacity for learning generative dynamics with specific characteristics, such as deterministic straight lines trajectories. This exploration underscores NFDM's versatility and its potential for a wide range of applications.

We present MovingParts, a NeRF-based method for dynamic scene reconstruction and part discovery. We consider motion as an important cue for identifying parts, that all particles on the same part share the common motion pattern. From the perspective of fluid simulation, existing deformation-based methods for dynamic NeRF can be seen as parameterizing the scene motion under the Eulerian view, i.e., focusing on specific locations in space through which the fluid flows as time passes. However, it is intractable to extract the motion of constituting objects or parts using the Eulerian view representation. In this work, we introduce the dual Lagrangian view and enforce representations under the Eulerian/Lagrangian views to be cycle-consistent. Under the Lagrangian view, we parameterize the scene motion by tracking the trajectory of particles on objects. The Lagrangian view makes it convenient to discover parts by factorizing the scene motion as a composition of part-level rigid motions. Experimentally, our method can achieve fast and high-quality dynamic scene reconstruction from even a single moving camera, and the induced part-based representation allows direct applications of part tracking, animation, 3D scene editing, etc.

View Transformation Module (VTM), where transformations happen between multi-view image features and Bird-Eye-View (BEV) representation, is a crucial step in camera-based BEV perception systems. Currently, the two most prominent VTM paradigms are forward projection and backward projection. Forward projection, represented by Lift-Splat-Shoot, leads to sparsely projected BEV features without post-processing. Backward projection, with BEVFormer being an example, tends to generate false-positive BEV features from incorrect projections due to the lack of utilization on depth. To address the above limitations, we propose a novel forward-backward view transformation module. Our approach compensates for the deficiencies in both existing methods, allowing them to enhance each other to obtain higher quality BEV representations mutually. We instantiate the proposed module with FB-BEV, which achieves a new state-of-the-art result of 62.4% NDS on the nuScenes test set. Code and models are available at https://github.com/NVlabs/FB-BEV.

Score-based Generative Models (SGMs) have achieved state-of-the-art synthesis results on diverse tasks. However, the current design space of the forward diffusion process is largely unexplored and often relies on physical intuition or simplifying assumptions. Leveraging results from the design of scalable Bayesian posterior samplers, we present a complete recipe for constructing forward processes in SGMs, all of which are guaranteed to converge to the target distribution of interest. We show that several existing SGMs can be cast as specific instantiations of this parameterization. Furthermore, building on this recipe, we construct a novel SGM: Phase Space Langevin Diffusion (PSLD), which performs score-based modeling in a space augmented with auxiliary variables akin to a physical phase space. We show that PSLD outperforms competing baselines in terms of sample quality and the speed-vs-quality tradeoff across different samplers on various standard image synthesis benchmarks. Moreover, we show that PSLD achieves sample quality comparable to state-of-the-art SGMs (FID: 2.10 on unconditional CIFAR-10 generation), providing an attractive alternative as an SGM backbone for further development. We will publish our code and model checkpoints for reproducibility at https://github.com/mandt-lab/PSLD.

This work addresses continuous space-time video super-resolution (C-STVSR) that aims to up-scale an input video both spatially and temporally by any scaling factors. One key challenge of C-STVSR is to propagate information temporally among the input video frames. To this end, we introduce a space-time local implicit neural function. It has the striking feature of learning forward motion for a continuum of pixels. We motivate the use of forward motion from the perspective of learning individual motion trajectories, as opposed to learning a mixture of motion trajectories with backward motion. To ease motion interpolation, we encode sparsely sampled forward motion extracted from the input video as the contextual input. Along with a reliability-aware splatting and decoding scheme, our framework, termed MoTIF, achieves the state-of-the-art performance on C-STVSR. The source code of MoTIF is available at https://github.com/sichun233746/MoTIF.