论文检索

General Machine Learning · Representation Learning

Ismail Khalfaoui Hassani, Stefan Kesselheim

Which functions can be used as activations in deep neural networks? This article explores families of functions based on orthonormal bases, including the Hermite polynomial basis and the Fourier trigonometric basis, as well as a basis resulting from the tropicalization of a polynomial basis. Our study shows that, through a simple variance-preserving initialization and without additional clamping mechanisms, these activations can successfully be used to train deep models, such as GPT-2 for next-token prediction on OpenWebText and ConvNeXt for image classification on ImageNet. Our work addresses the issue of exploding and vanishing activations and gradients, particularly prevalent with polynomial activations, and opens the door for improving the efficiency of large-scale learning tasks. Furthermore, our approach provides insight into the structure of neural networks, revealing that networks with polynomial activations can be interpreted as multivariate polynomial mappings. Finally, using Hermite interpolation, we show that our activations can closely approximate classical ones in pre-trained models by matching both the function and its derivative, making them especially useful for fine-tuning tasks. These activations are available in the torchortho library.

Deep Learning · Generative Models and Autoencoders

Zhuoyang Zhang, Luke Huang, Chengyue Wu, Shang Yang, Kelly Peng, Yao Lu, Song Han

We present Locality-aware Parallel Decoding (LPD) to accelerate autoregressive image generation. Traditional autoregressive image generation relies on next-patch prediction, a memory-bound process that leads to high latency. Existing works have tried to parallelize next-patch prediction by shifting to multi-patch prediction to accelerate the process, but only achieved limited parallelization. To achieve high parallelization while maintaining generation quality, we introduce two key techniques: (1) Flexible Parallelized Autoregressive Modeling, a novel architecture that enables arbitrary generation ordering and degrees of parallelization. It uses learnable position query tokens to guide generation at target positions while ensuring mutual visibility among concurrently generated tokens for consistent parallel decoding. (2) Locality-aware Generation Ordering, a novel schedule that forms groups to minimize intra-group dependencies and maximize contextual support, enhancing generation quality. With these designs, we reduce the generation steps from 256 to 20 (256×256 res.) and 1024 to 48 (512×512 res.) without compromising quality on the ImageNet class-conditional generation, and achieving at least 3.4× lower latency than previous parallelized autoregressive models.

Zhehao Huang, Yuhang Liu, Baijiong Lin, Yixin Lou, Zhengbao He, Hanling Tian, Tao Li, Xiaolin Huang

Large reasoning models (LRMs) excel at a long chain of reasoning but often fail to faithfully follow instructions regarding output format, constraints, or specific requirements. We investigate whether this gap can be closed by integrating an instruction-tuned model (ITM) into an LRM. Analyzing their differences in parameter space, namely task vectors, we find that their principal subspaces are nearly orthogonal across key modules, suggesting a lightweight merging with minimal interference. However, we also demonstrate that naïve merges are fragile because they overlook the output format mismatch between LRMs (with explicit *thinking* and *response* segments) and ITMs (answers-only). We introduce **RAIN-Merging** (Reasoning-Aware Instruction-attention guided Null-space projection Merging), a gradient-free method that integrates instruction following while preserving thinking format and reasoning performance. First, with a small reasoning calibration set, we project the ITM task vector onto the null space of forward features at thinking special tokens, which preserves the LRM's structured reasoning mechanisms. Second, using a small instruction calibration set, we estimate instruction attention to derive module-specific scaling that amplifies instruction-relevant components and suppresses leakage. Across four instruction-following benchmarks and nine reasoning & general capability benchmarks, RAIN-Merging substantially improves instruction adherence while maintaining reasoning quality. The gains are consistent across model scales and architectures, translating to improved performance in agent settings.

Applications · Language, Speech and Dialog

Takyoung Kim, Jinseok Nam, Chandrayee Basu, Xing Fan, Chengyuan Ma, Heng Ji, Gokhan Tur, Dilek Hakkani-Tür

Conversational agents powered by large language models (LLMs) with tool integration achieve strong performance on fixed task-oriented dialogue datasets but remain vulnerable to unanticipated, user-induced errors. Rather than focusing on error prevention, this work focuses on error recovery, which necessitates the accurate diagnosis of erroneous dialogue contexts and execution of proper recovery plans. Under realistic constraints precluding model fine-tuning or prompt modification due to significant cost and time requirements, we explore whether agents can recover from contextually flawed interactions and how their behavior can be adapted without altering model parameters and prompts. To this end, we propose **Reasoning Inception (ReIn)**, a test-time intervention method that *plants* an initial reasoning into the agent's decision-making process. Specifically, an external inception module identifies predefined errors within the dialogue context and generates recovery plans, which are subsequently integrated into the agent's internal reasoning process to guide corrective actions, without modifying its parameters or system prompts. We evaluate ReIn by systematically simulating conversational failure scenarios that directly hinder successful completion of user goals: user's ambiguous and unsupported requests. Across diverse combinations of agent models and inception modules, ReIn substantially improves task success and generalizes to unseen error types. Moreover, it consistently outperforms explicit prompt-modification approaches, underscoring its utility as an efficient, on-the-fly method. In-depth analysis of its operational mechanism, particularly in relation to instruction hierarchy, indicates that jointly defining recovery tools with ReIn can serve as a safe and effective strategy for improving the resilience of conversational agents without modifying the backbone models or system prompts.

General Machine Learning · Representation Learning

Huimin Cheng, Yongkai Chen, Ping Ma, Wenxuan Zhong

Graphon models have emerged as powerful tools for modeling complex network structures by capturing connection probabilities among nodes. A key challenge in their application lies in accurately characterizing the graphon function, particularly with respect to parameters that govern its smoothness, which significantly impact the estimation accuracy. In this article, we propose a novel graphon cross-validation method for selecting tuning parameters and estimation approaches. Our method is both theoretically sound and computationally efficient. We show that our proposed cross-validation score is asymptotically parallel to the estimation error. Through extensive simulations and real-world applications, we demonstrate that our method consistently delivers superior computational efficiency and accuracy.

Optimization · Sampling and Optimization

Matthieu Blanke, Yongquan Qu, Sara Shamekh, Pierre Gentine

Deep generative models hold great promise for representing complex physical systems, but their deployment is currently limited by the lack of guarantees on the physical plausibility of the generated outputs. Ensuring that known physical constraints are enforced is therefore critical when applying generative models to scientific and engineering problems. We address this limitation by developing a principled framework for sampling from a target distribution while rigorously satisfying physical constraints. Leveraging the variational formulation of Langevin dynamics, we propose Split Augmented Langevin (CASAL), a novel primal-dual sampling algorithm that enforces constraints progressively through variable splitting, with convergence guarantees. While the method is developed theoretically for Langevin dynamics, we demonstrate its effective applicability to diffusion models. We apply our method to diffusion-based data assimilation on a complex physical system, where enforcing physical constraints substantially improves both forecast accuracy and the preservation of critical conserved quantities. We also demonstrate the potential of CASAL for challenging feasibility problems in optimal control.

Ionut-Vlad Modoranu, Mher Safaryan, Erik Schultheis, Maksim Riabinin, Artem Chumachenko, Dan Alistarh

Low-rank optimization has emerged as a promising direction in training large language models (LLMs) to improve running time and reduce the memory usage of adaptive optimizers by constraining learning to a lower-dimensional space. Prior work typically projects gradients of linear layers using approaches based on Singular Value Decomposition (SVD) or QR-decomposition. Applying these techniques individually to each layer in large models is computationally expensive and incurs additional memory costs due to storing the projection matrices. In this work, we propose a computationally efficient and conceptually simple, two-step procedure to approximate SVD/QR-based gradient projections into lower-dimensional spaces by using a predefined orthogonal matrix of the Discrete Cosine Transform (DCT). We dynamically select columns from the DCT matrix based on their alignment with the gradient of each layer. The effective projection matrices are obtained via a simple \texttt{matmul} with the DCT matrix in $O(n^3)$ time, followed by a lightweight sorting step to identify the most relevant basis vectors. For large layers, DCT can be computed via \texttt{Makhoul}'s $N$-point algorithm based on Fast Fourier Transform (FFT) in $O(n^2 \log(n))$ time, yielding speed-ups for low-end GPUs. Due to the predefined nature of the orthogonal bases, they are computed once at the start of training. Our numerical experiments on both pre-training and fine-tuning tasks demonstrate the effectiveness of our dual strategy in approximating optimal low-rank projections, obtaining an approach with rank-independent running time that matches the performance of costly SVD/QR-based methods while achieving faster runtime and reduced memory usage by up to $25\%$ across different model sizes. Our code is available at \href{https://github.com/IST-DASLab/Trion}{\texttt{https://github.com/IST-DASLab/Trion}}.

Computer Vision · 3D Rendering & Reconstruction

Haithem Turki, Qi Wu, Xin Kang, Janick Martinez Esturo, Shengyu Huang, Ruilong Li, Zan Gojcic, Riccardo de Lutio

Rigorous testing of autonomous robots, such as self-driving vehicles, is essential to ensure their safety in real-world deployments. This requires building high-fidelity simulators to test scenarios beyond those that can be safely or exhaustively collected in the real-world. Existing neural rendering methods based on NeRF and 3DGS hold promise but suffer from low rendering speeds or can only render pinhole camera models, hindering their suitability to applications that commonly require high-distortion lenses and LiDAR data. Multi-sensor simulation poses additional challenges as existing methods handle cross-sensor inconsistencies by favoring the quality of one modality at the expense of others. To overcome these limitations, we propose SimULi, the first method capable of rendering arbitrary camera models and LiDAR data in real-time. Our method extends 3DGUT, which natively supports complex camera models, with LiDAR support, via an automated tiling strategy for arbitrary spinning LiDAR models and ray-based culling. To address cross-sensor inconsistencies, we design a factorized 3D Gaussian representation and anchoring strategy that reduces mean camera and depth error by up to 40% compared to existing methods. SimULi renders 10-20$\times$ faster than ray tracing approaches and 1.5-14$\times$ faster than prior rasterization-based work (and handles a wider range of camera models). When evaluated on two widely benchmarked autonomous driving datasets, SimULi matches or exceeds the fidelity of existing state-of-the-art methods across numerous camera and LiDAR metrics.

Deep Learning · Algorithms

Wanru Zhao, Yihong Chen, Yuzhi Tang, Wentao Ma, Shengchao Hu, Xu Hu, Alex Iacob, Abhinav Mehrotra, Nic Lane

Data curation is a critical yet under-explored area in large language model (LLM) training. Existing methods, such as data selection and mixing, operate in an offline paradigm, detaching themselves from training. This separation introduces engineering overhead and makes the curation brittle: the entire pipeline must be re-run under model/task shifts. Moreover, offline methods alter data size through hard filtering or resampling, often sacrificing data diversity and harming generalization. We propose to rethink data curation as an online reweighting problem, where sample importance is dynamically adjusted during training via loss weighting rather than static pre-processing. Specifically, we introduce ADAPT (Adaptive Data reweighting for Pretraining and FineTuning), a dynamic online framework that reweights training samples with adaptive per-sample learning rates guided by similarity-based quality signals, without changing the number of training samples. Unlike offline methods that enforce a static data distribution, ADAPT acts as an implicit curriculum learner, progressively shifting focus from coarse-grained patterns to fine-grained semantic distinctions as the model evolves. Experiments on both instruction tuning and large-scale pretraining show that ADAPT consistently outperforms offline selection/mixing and prior online methods, achieving stronger cross-benchmark generalization under equal FLOPs.

Deep Learning · Graph Neural Networks

Patrick Indri, Tamara Drucks, Thomas Gärtner

We investigate the trade-off between expressive power and privacy guarantees in graph representation learning. Privacy-preserving machine learning faces growing regulatory demands that pose a fundamental challenge: safeguarding sensitive data while maintaining expressive power. To address this challenge, we leverage homomorphism density vectors to obtain graph embeddings that are private and expressive. Homomorphism densities are provably highly discriminative and offer a powerful tool for distinguishing non-isomorphic graphs. By adding noise calibrated to each density’s sensitivity, we ensure that the resulting embeddings satisfy formal differential privacy guarantees. Our theoretical construction preserves expressivity in expectation, as each private embedding remains unbiased with respect to the true homomorphism densities. We demonstrate the usefulness of our embeddings through experiments on molecular and social network datasets.

Applications · Neuroscience, Cognitive Science

Ann Huang, Mitchell Ostrow, Satpreet H Singh, Leo Kozachkov, Ila Fiete, Kanaka Rajan

In control problems and basic scientific modeling, it is important to compare observations with dynamical simulations. For example, comparing two neural systems can shed light on the nature of emergent computations in the brain and deep neural networks. Recently, Ostrow et al. (2023) introduced Dynamical Similarity Analysis (DSA), a method to measure the similarity of two systems based on their recurrent dynamics rather than geometry or topology. However, DSA does not consider how inputs affect the dynamics, meaning that two similar systems, if driven differently, may be classified as different. Because real-world dynamical systems are rarely autonomous, it is important to account for the effects of input drive. To this end, we introduce a novel metric for comparing both intrinsic (recurrent) and input-driven dynamics, called InputDSA (iDSA). InputDSA extends the DSA framework by estimating and comparing both input and intrinsic dynamic operators using a variant of Dynamic Mode Decomposition with control (DMDc) based on subspace identification. We demonstrate that InputDSA can successfully compare partially observed, input-driven systems from noisy data. We show that when the true inputs are unknown, surrogate inputs can be substituted without a major deterioration in similarity estimates. We apply InputDSA on Recurrent Neural Networks (RNNs) trained with Deep Reinforcement Learning, identifying that high-performing networks are dynamically similar to one another, while low-performing networks are more diverse. Lastly, we apply InputDSA to neural data recorded from rats performing a cognitive task, demonstrating that it identifies a transition from input-driven evidence accumulation to intrinsically-driven decision-making. Our work demonstrates that InputDSA is a robust and efficient method for comparing intrinsic dynamics and the effect of external input on dynamical systems.

General Machine Learning · Everything Else

Gowtham Reddy Abbavaram, Rajeev Verma, Celia Rubio-Madrigal, Krikamol Muandet, Rebekka Burkholz

Out-of-distribution (OOD) generalization is a defining hallmark of truly robust and reliable machine learning systems. Recently, it has been empirically observed that existing OOD generalization methods often underperform on real-world tabular data, where hidden confounding shifts drive distribution changes that boosting models handle more effectively. Part of boosting’s success is attributed to variance reduction, handling missing variables, feature selection, and connections to multicalibration. This paper uncovers a crucial reason behind its success in OOD generalization: boosting’s ability to infer stable environments robust to hidden confounding shifts and maximize predictive performance within those environments. This paper introduces an information-theoretic notion called $\alpha$-predictive sufficiency and formalizes its link to OOD generalization under hidden confounding. We show that boosting implicitly identifies suitable environments and produces an $\alpha$-predictive sufficient predictor. We validate our theoretical results through synthetic and real-world experiments and show that boosting achieves robust performance by identifying these environments and maximizing the association between predictions and true outcomes.

Optimization · Non-Convex

Tom Jacobs, Advait Gadhikar, Celia Rubio-Madrigal, Rebekka Burkholz

Understanding the implicit bias of optimization algorithms is key to explaining and improving the generalization of deep models. The hyperbolic implicit bias induced by pointwise overparameterization promotes sparsity, but also yields a small inverse Riemannian metric near zero, slowing down parameter movement and impeding meaningful parameter sign flips. To overcome this obstacle, we propose Hyperbolic Aware Minimization (HAM), which alternates a standard optimizer step with a lightweight hyperbolic mirror step. The mirror step incurs less compute and memory than pointwise overparameterization, reproduces its beneficial hyperbolic geometry for feature learning, and mitigates the small–inverse-metric bottleneck. Our characterization of the implicit bias in the context of underdetermined linear regression provides insights into the mechanism how HAM consistently increases performance --even in the case of dense training, as we demonstrate in experiments with standard vision benchmarks. HAM is especially effective in combination with different sparsification methods, advancing the state of the art.

Optimization · Sampling and Optimization

Joao Carvalho, Jan Peters

Sampling-based model predictive control (MPC) offers strong performance in nonlinear and contact-rich robotic tasks, yet often suffers from poor exploration due to locally greedy sampling schemes. We propose \emph{Model Tensor Planning} (MTP), a novel sampling-based MPC framework that introduces high-entropy control trajectory generation through structured tensor sampling. By sampling over randomized multipartite graphs and interpolating control trajectories with B-splines and Akima splines, MTP ensures smooth and globally diverse control candidates. We further propose a simple $\beta$-mixing strategy that blends local exploitative and global exploratory samples within the modified Cross-Entropy Method (CEM) update, balancing control refinement and exploration. Theoretically, we show that MTP achieves asymptotic path coverage and maximum entropy in the control trajectory space in the limit of infinite tensor depth and width. Our implementation is fully vectorized using JAX and compatible with MuJoCo XLA, supporting \emph{Just-in-time} (JIT) compilation and batched rollouts for real-time control with online domain randomization. Through experiments on various challenging robotic tasks, ranging from dexterous in-hand manipulation to humanoid locomotion, we demonstrate that MTP outperforms standard MPC and evolutionary strategy baselines in task success and control robustness. Design and sensitivity ablations confirm the effectiveness of MTP’s tensor sampling structure, spline interpolation choices, and mixing strategy. Altogether, MTP offers a scalable framework for robust exploration in model-based planning and control.

General Machine Learning · Everything Else

Gowtham Reddy Abbavaram, Celia Rubio-Madrigal, Rebekka Burkholz, Krikamol Muandet

Distribution shifts introduce uncertainty that undermines the robustness and generalization capabilities of machine learning models. While conventional wisdom suggests that learning causal-invariant representations enhances robustness to such shifts, recent empirical studies present a counterintuitive finding: (i) empirical risk minimization (ERM) can rival or even outperform state-of-the-art out-of-distribution (OOD) generalization methods, and (ii) OOD generalization performance improves when all available covariates, including non-causal ones, are utilized. We present theoretical and empirical explanations that attribute this phenomenon to hidden confounding. Shifts in hidden confounding induce changes in data distributions that violate assumptions commonly made by existing approaches. Under such conditions, we prove that generalization requires learning environment-specific relationships, rather than relying solely on invariant ones. Furthermore, we explain why models augmented with non-causal but informative covariates can mitigate the challenges posed by hidden confounding shifts. These findings offer new theoretical insights and practical guidance, serving as a roadmap for future research on OOD generalization and principled covariate-selection strategies.

Computer Vision · Segmentation

Yuhua Zhang, Guilian Chen, Yuanqin He, Huisi Wu, Jing Qin

Automatic polyp segmentation from colonoscopy videos is a crucial technique that assists clinicians in improving the accuracy and efficiency of diagnosis, preventing polyps from developing into cancer. However, video polyp segmentation (VPS) is a challenging task due to (1) the significant inter-frame divergence in videos, (2) the high camouflage of polyps in normal colon structures and (3) the clinical requirement of real-time performance. In this paper, we propose a novel segmentation network, WavePolyp, which consists of two innovative components: a hierarchical wavelet-based feature aggregation (HWFA) module and inter-frame divergence perception (IDP) blocks. Specifically, HWFA excavates and amplifies discriminative information from high-frequency and low-frequency features decomposed by wavelet transform, hierarchically aggregating them into refined spatial representations within each frame. This module enhances the representation capability of intra-frame spatial features, effectively addressing the high camouflage of polyps in normal colon structures. Furthermore, IDP perceives and captures inter-frame polyp divergence through a temporal divergence perception mechanism, enabling accurate polyp tracking while mitigating temporal inconsistencies caused by the significant inter-frame variations across frames. Extensive experiments conducted on the SUN-SEG and CVC-612 datasets demonstrate that our method outperforms other state-of-the-art methods. Codes are available at \url{https://github.com/FishballZhang/WavePolyp.

Social Aspects · Privacy-preserving Statistics and Machine Learning

Jaeyun Song, Geondo Park, Uigyu Kim, Joonhyung Park, Eunho Yang

As diffusion model-based services expand across various domains, safeguarding client data privacy has become increasingly critical. While fully homomorphic encryption and secure multi-party computation enable privacy-preserving inference, their high computational overhead poses challenges for large-scale diffusion applications. Recent work alleviates computational costs by substituting non-linear operations with low-degree polynomial approximations. While such relaxations reduce latency, they incur significant degradation in generative fidelity, and inference remains considerably slower than plaintext execution. To further accelerate secure inference while preserving performance, we explore more relaxed approximations and propose a score-correction framework that rectifies the conditional score shift induced by the relaxed approximation, rather than decreasing the approximation error itself. The key insight is that unconditional generation can be executed without approximation and thus provides a high-fidelity score signal. Leveraging this unconditional score as corrective guidance enables more relaxed approximations while preserving semantic and perceptual quality. In experiments, we demonstrate that our method significantly alleviates the performance degradation caused by relaxed approximations across various benchmarks.

Computer Vision · Vision Models & Multimodal

Minkyu Kim, Sangheon Lee, Dongmin Park

The ability to distinguish subtle differences between visually similar images is essential for diverse domains such as industrial anomaly detection, medical imaging, and aerial surveillance. While comparative reasoning benchmarks for vision-language models (VLMs) have recently emerged, they primarily focus on images with large, salient differences and fail to capture the nuanced reasoning required for real-world applications. In this work, we introduce **VLM-SubtleBench**, a benchmark designed to evaluate VLMs on *subtle comparative reasoning*. Our benchmark covers ten difference types—Attribute, State, Emotion, Temporal, Spatial, Existence, Quantity, Quality, Viewpoint, and Action—and curate paired question–image sets reflecting these fine-grained variations. Unlike prior benchmarks restricted to natural image datasets, our benchmark spans diverse domains, including industrial, aerial, and medical imagery. Through extensive evaluation of both proprietary and open-source VLMs, we reveal systematic gaps between model and human performance across difference types and domains, and provide controlled analyses highlighting where VLMs’ reasoning sharply deteriorates. Together, our benchmark and findings establish a foundation for advancing VLMs toward human-level comparative reasoning.

Deep Learning · Everything Else

Haewon Park, Sangwoo Kim, Yohan Jo

Knowledge editing aims to efficiently correct factual errors in language models. Widely used locate-then-edit methods update an MLP layer by adjusting its weights to change the mapping between the layer’s input vector (key) and output vector (value), thereby editing the model’s knowledge. As this update is driven by key and value vectors, obtaining these vectors without careful constraints causes significant model perturbations beyond the targeted edit, a common issue in many prior knowledge editing methods. To address this, we propose Subspace Knowledge Edit (SUIT), which computes key and value vectors only within the subspace of critical features relevant to the edit. Our empirical results on LLaMA3, GPT-J, and Qwen2.5 models show that SUIT dramatically improves knowledge preservation over strong baselines while maintaining high editing performance. These results support the claim that SUIT successfully identifies the critical subspace for the edit. Beyond quantitative gains, our analyses show that SUIT reduces unintended perturbations in hidden states while confining updates to directions that are more effective for editing. Taken together, these findings establish edit-critical subspace identification as a key principle for reliable, low-perturbation knowledge editing. Our code is available at https://github.com/holi-lab/SUIT.

Applications · Robotics

Utkarsh Mishra, David He, Yongxin Chen, Danfei Xu

Generative models have emerged as powerful tools for planning, with compositional approaches offering particular promise for modeling long-horizon task distributions by composing together local, modular generative models. This compositional paradigm spans diverse domains, from multi-step manipulation planning to panoramic image synthesis to long video generation. However, compositional generative models face a critical challenge: when local distributions are multimodal, existing composition methods average incompatible modes, producing plans that are neither locally feasible nor globally coherent. We propose Compositional Diffusion with Guided Search (CDGS), which addresses this \emph{mode averaging} problem by embedding search directly within the diffusion denoising process. Our method explores diverse combinations of local modes through population-based sampling, prunes infeasible candidates using likelihood-based filtering, and enforces global consistency through iterative resampling between overlapping segments. CDGS matches oracle performance on seven robot manipulation tasks, outperforming baselines that lack compositionality or require long-horizon training data. The approach generalizes across domains, enabling coherent text-guided panoramic images and long videos through effective local-to-global message passing. More details: https://cdgsearch.github.io/