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Theory

Yiding Chen, Yiyi Zhang, Owen Oertell, Wen Sun

Diffusion models accomplish remarkable success in data generation tasks across various domains. However, the iterative sampling process is computationally expensive. Consistency models are proposed to learn consistency functions to map from noise to data directly, which allows one-step fast data generation and multistep sampling to improve sample quality. In this paper, we study the convergence of consistency models when the self-consistency property holds approximately under the training distribution. Our analysis requires only mild data assumption and applies to a family of forward processes. When the target data distribution has bounded support or has tails that decay sufficiently fast, we show that the samples generated by the consistency model are close to the target distribution in Wasserstein distance; when the target distribution satisfies some smoothness assumption, we show that with an additional perturbation step for smoothing, the generated samples are close to the target distribution in total variation distance. We provide two case studies with commonly chosen forward processes to demonstrate the benefit of multistep sampling.

Deep Learning · Large Language Models

Muru Zhang, Mayank Mishra, Zhongzhu Zhou, William Brandon, Jue Wang, Yoon Kim, Jonathan Ragan-Kelley, Shuaiwen Song, Ben Athiwaratkun, Tri Dao

Large language model inference is both memory-intensive and time-consuming, often requiring distributed algorithms to efficiently scale. Various model parallelism strategies are used in multi-gpu training and inference to partition computation across multiple devices, reducing memory load and computation time. However, using model parallelism necessitates communication of information between GPUs, which has been a major bottleneck and limits the gains obtained by scaling up the number of devices. We introduce Ladder Residual, a simple architectural modification applicable to all residual-based models that enables straightforward overlapping that effectively hides the latency of communication. **Our insight is that in addition to systems optimization, one can also redesign the model architecture to decouple communication from computation.** While Ladder Residual can allow communication-computation decoupling in conventional parallelism patterns, we focus on Tensor Parallelism in this paper, which is particularly bottlenecked by its heavy communication. For a Transformer model with 70B parameters, applying Ladder Residual to all its layers can achieve 29% end-to-end wall clock speed up at inference time with TP sharding over 8 devices. We refer the resulting Transformer model as the Ladder Transformer. We train a 1B and 3B Ladder Transformer from scratch and observe comparable performance to a standard dense transformer baseline. We also show that it is possible to convert parts of the Llama-3.1 8B model to our Ladder Residual architecture with minimal accuracy degradation by only retraining for 3B tokens.

Applications · Computer Vision

Pengchong Hu, Zhizhong Han

Jointly estimating camera poses and mapping scenes from RGBD images is a fundamental task in simultaneous localization and mapping (SLAM). State-of-the-art methods employ 3D Gaussians to represent a scene, and render these Gaussians through splatting for higher efficiency and better rendering. However, these methods cannot scale up to extremely large scenes, due to the inefficient tracking and mapping strategies that need to optimize all 3D Gaussians in the limited GPU memories throughout the training to maintain the geometry and color consistency to previous RGBD observations. To resolve this issue, we propose novel tracking and mapping strategies to work with a novel 3D representation, dubbed view-tied 3D Gaussians, for RGBD SLAM systems. View-tied 3D Gaussians is a kind of simplified Gaussians, which is tied to depth pixels, without needing to learn locations, rotations, and multi-dimensional variances. Tying Gaussians to views not only significantly saves storage but also allows us to employ many more Gaussians to represent local details in the limited GPU memory. Moreover, our strategies remove the need of maintaining all Gaussians learnable throughout the training, while improving rendering quality, and tracking accuracy. We justify the effectiveness of these designs, and report better performance over the latest methods on the widely used benchmarks in terms of rendering and tracking accuracy and scalability. Please see our project page for code and videos at https://machineperceptionlab.github.io/VTGaussian-SLAM-Project.

Deep Learning · Everything Else

Piotr Kubaty, Bartosz Wójcik, Bartłomiej Krzepkowski, Monika Michaluk, Tomasz Trzcinski, Jary Pomponi, Kamil Adamczewski

Early exits enable the network's forward pass to terminate early by attaching trainable internal classifiers to the backbone network. Existing early-exit methods typically adopt either a joint training approach, where the backbone and exit heads are trained simultaneously, or a disjoint approach, where the heads are trained separately. However, the implications of this choice are often overlooked, with studies typically adopting one approach without adequate justification. This choice influences training dynamics and its impact remains largely unexplored. In this paper, we introduce a set of metrics to analyze early-exit training dynamics and guide the choice of training strategy. We demonstrate that conventionally used joint and disjoint regimes yield suboptimal performance. To address these limitations, we propose a mixed training strategy: the backbone is trained first, followed by the training of the entire multi-exit network. Through comprehensive evaluations of training strategies across various architectures, datasets, and early-exit methods we present strengths and weaknesses of the early exit training strategies. In particular, we show consistent improvements in performance and efficiency using the proposed mixed strategy.

Applications · Robotics

Flavio Petruzzellis, Cristina Cornelio, Pietro Lió

Large Language Models (LLMs) have shown promise as robotic planners but often struggle with long-horizon and complex tasks, especially in specialized environments requiring external knowledge. While hierarchical planning and Retrieval-Augmented Generation (RAG) address some of these challenges, they remain insufficient on their own and a deeper integration is required for achieving more reliable systems. To this end, we propose a neuro-symbolic approach that enhances LLMs-based planners with Knowledge Graph-based RAG for hierarchical plan generation. This method decomposes complex tasks into manageable subtasks, further expanded into executable atomic action sequences. To ensure formal correctness and proper decomposition, we integrate a Symbolic Validator, which also functions as a failure detector by aligning expected and observed world states. Our evaluation against baseline methods demonstrates the consistent significant advantages of integrating hierarchical planning, symbolic verification, and RAG across tasks of varying complexity and different LLMs. Additionally, our experimental setup and novel metrics not only validate our approach for complex planning but also serve as a tool for assessing LLMs' reasoning and compositional capabilities. Code available at https://github.com/corneliocristina/HVR.

Deep Learning · Other Representation Learning

Lokesh Veeramacheneni, Moritz Wolter, Hilde Kuehne, Juergen Gall

Modern methods for fine-tuning a Vision Transformer (ViT) like Low-Rank Adaptation (LoRA) and its variants demonstrate impressive performance. However, these methods ignore the high-dimensional nature of Multi-Head Attention (MHA) weight tensors. To address this limitation, we propose Canonical Rank Adaptation (CaRA). CaRA leverages tensor mathematics, first by tensorising the transformer into two different tensors; one for projection layers in MHA and the other for feed-forward layers. Second, the tensorised formulation is fine-tuned using the low-rank adaptation in Canonical-Polyadic Decomposition (CPD) form. Employing CaRA efficiently minimizes the number of trainable parameters. Experimentally, CaRA outperforms existing Parameter-Efficient Fine-Tuning (PEFT) methods in visual classification benchmarks such as Visual Task Adaptation Benchmark (VTAB)-1k and Fine-Grained Visual Categorization (FGVC).

Optimization · Non-Convex

Suryanarayana Sankagiri, Jalal Etesami, Matthias Grossglauser

In this paper, we consider a recommender system that elicits user feedback through pairwise comparisons instead of ratings. We study the problem of learning personalised preferences from such comparison data via collaborative filtering. Similar to the classical matrix completion setting, we assume that users and items are endowed with low-dimensional latent features. These features give rise to user-item utilities, and the comparison outcomes are governed by a discrete choice model over these utilities. The task of learning these features is then formulated as a maximum likelihood problem over the comparison dataset. Despite the resulting optimization problem being nonconvex, we show that gradient-based methods converge exponentially to the latent features, given a warm start. Importantly, this result holds in a sparse data regime, where each user compares only a few pairs of items. Our main technical contribution is to extend key concentration results commonly used in matrix completion to our model. Simulations reveal that the empirical performance of the method exceeds theoretical predictions, even when some assumptions are relaxed. Our work demonstrates that learning personalised recommendations from comparison data is both computationally and statistically efficient.

Deep Learning · Algorithms

Sidak Pal Singh, Hossein Mobahi, Atish Agarwala, Yann Nicolas Dauphin

Curvature regularization techniques like Sharpness Aware Minimization (SAM) have shown great promise in improving generalization on vision tasks. However, we find that SAM performs poorly in domains like natural language processing (NLP), often degrading performance --- even with twice the compute budget. We investigate the discrepancy across domains and find that in the NLP setting, SAM is dominated by regularization of the logit statistics --- instead of improving the geometry of the function itself. We use this observation to develop an alternative algorithm we call Functional SAM, which regularizes curvature only through modification of the statistics of the overall function implemented by the neural network, and avoids spurious minimization through logit manipulation. Furthermore, we argue that preconditioning the SAM perturbation also prevents spurious minimization, and when combined with Functional SAM, it gives further improvements. Our proposed algorithms show improved performance over AdamW and SAM baselines when trained for an equal number of steps, in both fixed-length and Chinchilla-style training settings, at various model scales (including billion-parameter scale). On the whole, our work highlights the importance of more precise characterizations of sharpness in broadening the applicability of curvature regularization to large language models (LLMs)

Deep Learning · Robustness

Aryan Gulati, Brando Miranda, Eric Chen, Emily Xia, Kai Fronsdal, Bruno de Moraes Dumont, Sanmi Koyejo

Current mathematical reasoning benchmarks for large language models (LLMs) are approaching saturation, with some achieving $>$ 90% accuracy, and are increasingly compromised by training-set contamination.We introduce Putnam-AXIOM, a benchmark of 522 university-level competition problems drawn from the prestigious William Lowell Putnam Mathematical Competition, and Putnam-AXIOM Variation, an unseen companion set of 100 functional variants generated by programmatically perturbing variables, and constants.The variation protocol produces an unlimited stream of equally difficult, unseen instances -- yielding a contamination-resilient test bed.On the Original set, OpenAI's o1-preview – the strongest evaluated model – scores 41.9%, but its accuracy drops by 19.6 % (46.8% relative decrease) on the paired Variations.The remaining eighteen models show the same downward trend, ten of them with non-overlapping 95% confidence intervals.These gaps suggest memorization and highlight the necessity of dynamic benchmarks. We complement ("boxed") accuracy with Teacher-Forced Accuracy (TFA), a lightweight metric that directly scores reasoning traces and automates natural language proof evaluations.Putnam-AXIOM therefore provides a rigorous, contamination-resilient evaluation framework for assessing advanced mathematical reasoning of LLMs.Data and evaluation code are publicly available athttps://github.com/brando90/putnam-axiom.

General Machine Learning · Everything Else

Can Chen, Jun-Kun Wang

Developing algorithms to differentiate between machine-generated texts and human-written texts has garnered substantial attention in recent years. Existing methods in this direction typically concern an offline setting where a dataset containing a mix of real and machine-generated texts is given upfront, and the task is to determine whether each sample in the dataset is from a large language model (LLM) or a human. However, in many practical scenarios, sources such as news websites, social media accounts, and online forums publish content in a streaming fashion. Therefore, in this online scenario, how to quickly and accurately determine whether the source is an LLM with strong statistical guarantees is crucial for these media or platforms to function effectively and prevent the spread of misinformation and other potential misuse of LLMs. To tackle the problem of online detection, we develop an algorithm based on the techniques of sequential hypothesis testing by betting that not only builds upon and complements existing offline detection techniques but also enjoys statistical guarantees, which include a controlled false positive rate and the expected time to correctly identify a source as an LLM. Experiments were conducted to demonstrate the effectiveness of our method.

Reinforcement Learning · Multi-agent

Zhiwei XU, Kun Hu, Xin Xin, Weiliang Meng, Yiwei Shi, Hangyu Mao, Bin Zhang, dapeng Li, Jiangjin Yin

Generalizing multi-agent reinforcement learning (MARL) to accommodate variations in problem configurations remains a critical challenge in real-world applications, where even subtle differences in task setups can cause pre-trained policies to fail. To address this, we propose Context-Aware Identity Generation (CAID), a novel framework to enhance MARL performance under the Contextual MARL (CMARL) setting. CAID dynamically generates unique agent identities through the agent identity decoder built on a causal Transformer architecture. These identities provide contextualized representations that align corresponding agents across similar problem variants, facilitating policy reuse and improving sample efficiency. Furthermore, the action regulator in CAID incorporates these agent identities into the action-value space, enabling seamless adaptation to varying contexts. Extensive experiments on CMARL benchmarks demonstrate that CAID significantly outperforms existing approaches by enhancing both sample efficiency and generalization across diverse context variants.

Deep Learning · Large Language Models

Nadav Timor, Jonathan Mamou, Daniel Korat, Moshe Berchansky, Gaurav Jain, Oren Pereg, Moshe Wasserblat, David Harel

Accelerating the inference of large language models (LLMs) is a critical challenge in generative AI. Speculative decoding (SD) methods offer substantial efficiency gains by generating multiple tokens using a single target forward pass. However, existing SD approaches require the drafter and target models to share the same vocabulary, thus limiting the pool of possible drafters, often necessitating the training of a drafter from scratch. We present three new SD methods that remove this shared-vocabulary constraint. All three methods preserve the target distribution (i.e., they are lossless) and work with off-the-shelf models without requiring additional training or modifications. Empirically, on summarization, programming, and long-context tasks, our algorithms demonstrate significant speedups of up to 2.8x over standard autoregressive decoding. By enabling any off-the-shelf model to serve as a drafter and requiring no retraining, this work substantially broadens the applicability of the SD framework in practice.

Probabilistic Methods · Monte Carlo and Sampling Methods

Chenguang Wang, Kaiyuan Cui, Weichen Zhao, Tianshu Yu

Sampling from binary quadratic distributions (BQDs) is a fundamental but challenging problem in discrete optimization and probabilistic inference. Previous work established theoretical guarantees for stochastic localization (SL) in continuous domains, where MCMC methods efficiently estimate the required posterior expectations during SL iterations. However, achieving similar convergence guarantees for discrete MCMC samplers in posterior estimation presents unique theoretical challenges. In this work, we present the first application of SL to general BQDs, proving that after a certain number of iterations, the external field of posterior distributions constructed by SL tends to infinity almost everywhere, hence satisfy Poincaré inequalities with probability near to 1, leading to polynomial-time mixing. This theoretical breakthrough enables efficient sampling from general BQDs, even those that may not originally possess fast mixing properties. Furthermore, our analysis, covering enormous discrete MCMC samplers based on Glauber dynamics and Metropolis-Hastings algorithms, demonstrates the broad applicability of our theoretical framework.Experiments on instances with quadratic unconstrained binary objectives, including maximum independent set, maximum cut, and maximum clique problems, demonstrate consistent improvements in sampling efficiency across different discrete MCMC samplers.

Applications · Chemistry, Physics, and Earth Sciences

Jaeheun Jung, Jaehyuk Lee, ChangHae Jung, Hanyoung Kim, Bosung Jung, Donghun Lee

Shock waves caused by earthquakes can be devastating. Generating realistic earthquake-caused ground motion waveforms help reducing losses in lives and properties, yet generative models for the task tend to generate subpar waveforms. We present High-fidelity Earthquake Groundmotion Generation System (HEGGS) and demonstrate its superior performance using earthquakes from North American, East Asian, and European regions. HEGGS exploits the intrinsic characteristics of earthquake dataset and learns the waveforms using an end-to-end differentiable generator containing conditional latent diffusion model and hi-fidelity waveform construction model. We show the learning efficiency of HEGGS by training it on a single GPU machine and validate its performance using earthquake databases from North America, East Asia, and Europe, using diverse criteria from waveform generation tasks and seismology. Once trained, HEGGS can generate three dimensional E-N-Z seismic waveforms with accurate P/S phase arrivals, envelope correlation, signal-to-noise ratio, GMPE analysis, frequency content analysis, and section plot analysis.

Theory · Learning Theory

Minh Hieu Nong, Antoine Ledent

Contrastive Representation Learning (CRL) has achieved impressive success in various domains in recent years. Nevertheless, the theoretical understanding of the generalization behavior of CRL has remained limited. Moreover, to the best of our knowledge, the current literature only analyzes generalization bounds under the assumption that the data tuples used for contrastive learning are independently and identically distributed. However, in practice, we are often limited to a fixed pool of reusable labeled data points, making it inevitable to recycle data across tuples to create sufficiently large datasets. Therefore, the tuple-wise independence condition imposed by previous works is invalidated. In this paper, we provide a generalization analysis for the CRL framework under non-$i.i.d.$ settings that adheres to practice more realistically. Drawing inspiration from the literature on U-statistics, we derive generalization bounds which indicate that the required number of samples in each class scales as the logarithm of the covering number of the class of learnable feature representations associated to that class. Next, we apply our main results to derive excess risk bounds for common function classes such as linear maps and neural networks.

Applications · Chemistry, Physics, and Earth Sciences

Nikita Kazeev, Wei Nong, Ignat Romanov, Ruiming Zhu, Andrey Ustyuzhanin, Shuya Yamazaki, Kedar Hippalgaonkar

Crystal symmetry plays a fundamental role in determining its physical, chemical, and electronic properties such as electrical and thermal conductivity, optical and polarization behavior, and mechanical strength. Almost all known crystalline materials have internal symmetry. However, this is often inadequately addressed by existing generative models, making the consistent generation of stable and symmetrically valid crystal structures a significant challenge. We introduce WyFormer, a generative model that directly tackles this by formally conditioning on space group symmetry. It achieves this by using Wyckoff positions as the basis for an elegant, compressed, and discrete structure representation. To model the distribution, we develop a permutation-invariant autoregressive model based on the Transformer encoder and an absence of positional encoding. Extensive experimentation demonstrates WyFormer's compelling combination of attributes: it achieves best-in-class symmetry-conditioned generation, incorporates a physics-motivated inductive bias, produces structures with competitive stability, predicts material properties with competitive accuracy even without atomic coordinates, and exhibits unparalleled inference speed.

Applications · Neuroscience, Cognitive Science

Yizi Zhang, Yanchen Wang, Mehdi Azabou, Alexandre Andre, Zixuan Wang, Hanrui Lyu, International Brain Laboratory, Eva Dyer, Department of Statistics Liam Paninski, Cole Hurwitz

Recent work has demonstrated that large-scale, multi-animal models are powerful tools for characterizing the relationship between neural activity and behavior. Current large-scale approaches, however, focus exclusively on either predicting neural activity from behavior (encoding) or predicting behavior from neural activity (decoding), limiting their ability to capture the bidirectional relationship between neural activity and behavior. To bridge this gap, we introduce a multimodal, multi-task model that enables simultaneous Neural Encoding and Decoding at Scale (NEDS). Central to our approach is a novel multi-task-masking strategy, which alternates between neural, behavioral, within-modality, and cross-modality masking. We pretrain our method on the International Brain Laboratory (IBL) repeated site dataset, which includes recordings from 83 animals performing the visual decision-making task. In comparison to other large-scale modeling approaches, we demonstrate that NEDS achieves state-of-the-art performance for both encoding and decoding when pretrained on multi-animal data and then fine-tuned on new animals. Surprisingly, NEDS's learned embeddings exhibit emergent properties: even without explicit training, they are highly predictive of the brain regions in each recording. Altogether, our approach is a step towards a foundation model of the brain that enables seamless translation between neural activity and behavior.

General Machine Learning · Representation Learning

Anqi Tang, Youming Chen, Shuchen Xue, Zhaoqiang Liu

Diffusion models (DMs) have demonstrated remarkable ability to generate diverse and high-quality images by efficiently modeling complex data distributions. They have also been explored as powerful generative priors for signal recovery, resulting in a substantial improvement in the quality of reconstructed signals. However, existing research on signal recovery with diffusion models either focuses on specific reconstruction problems or is unable to handle nonlinear measurement models with discontinuous or unknown link functions. In this work, we focus on using DMs to achieve accurate recovery from semi-parametric single index models, which encompass a variety of popular nonlinear models that may have {\em discontinuous} and {\em unknown} link functions. We propose an efficient reconstruction method that only requires one round of unconditional sampling and (partial) inversion of DMs. Theoretical analysis on the effectiveness of the proposed methods has been established under appropriate conditions. We perform numerical experiments on image datasets for different nonlinear measurement models. We observe that compared to competing methods, our approach can yield more accurate reconstructions while utilizing significantly fewer neural function evaluations.

Deep Learning · Everything Else

Laines Schmalwasser, Niklas Penzel, Joachim Denzler, Julia Niebling

Concepts such as objects, patterns, and shapes are how humans understand the world. Building on this intuition, concept-based explainability methods aim to study representations learned by deep neural networks in relation to human-understandable concepts. Here, Concept Activation Vectors (CAVs) are an important tool and can identify whether a model learned a concept or not. However, the computational cost and time requirements of existing CAV computation pose a significant challenge, particularly in large-scale, high-dimensional architectures. To address this limitation, we introduce FastCAV, a novel approach that accelerates the extraction of CAVs by up to 63.6× (on average 46.4×). We provide a theoretical foundation for our approach and give concrete assumptions under which it is equivalent to established SVM-based methods. Our empirical results demonstrate that CAVs calculated with FastCAV maintain similar performance while being more efficient and stable. In downstream applications, i.e., concept-based explanation methods, we show that FastCAV can act as a replacement leading to equivalent insights. Hence, our approach enables previously infeasible investigations of deep models, which we demonstrate by tracking the evolution of concepts during model training.

General Machine Learning · Evaluation

Benjamin Eyre, David Madras

The availability of machine learning systems that can effectively perform arbitrary tasks has led to synthetic labels from these systems being used in applications of statistical inference, such as data analysis or model evaluation. The Prediction Powered Inference (PPI) framework provides a way of leveraging both a large pool of pseudo-labelled data and a small sample with real, high-quality labels to produce a low-variance, unbiased estimate of the quantity being evaluated for. Most work on PPI considers a relatively sizable set of labelled samples, which can be resource intensive to obtain. However, we find that when labelled data is scarce, the PPI++ method can perform even worse than classical inference. We analyze this phenomenon by relating PPI++ to ordinary least squares regression, which also experiences high variance with small sample sizes, and use this regression framework to better understand the efficacy of PPI. Motivated by this, we present two new PPI-based techniques that leverage robust regressors to produce even lower variance estimators in the few-label regime