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Theory · Domain Adaptation and Transfer Learning

Sunghyun Baek, Jaemyung Yu, Seunghee Koh, Minsu Kim, Hyeonseong Jeon, Junmo Kim

Test-time adaptation (TTA) has been widely explored to prevent performance degradation when test data differ from the training distribution. However, fully leveraging the rich representations of large pretrained models with minimal parameter updates remains underexplored. In this paper, we propose Intrinsic Mixture of Spectral Experts (IMSE) that leverages the spectral experts inherently embedded in Vision Transformers. We decompose each linear layer via singular value decomposition (SVD) and adapt only the singular values, while keeping the singular vectors fixed. We further identify a key limitation of entropy minimization in TTA: it often induces feature-collapse, causing the model to rely on domain-specific features rather than class-discriminative features. To address this, we propose a diversity maximization loss based on expert–input alignment, which encourages diverse utilization of spectral experts during adaptation. In the continual test-time adaptation (CTTA) scenario, beyond preserving pretrained knowledge, it is crucial to retain and reuse knowledge from previously observed domains. We introduce Domain-Aware Spectral Code Retrieval, which estimates input distributions to detect domain shifts, and retrieves adapted singular values for rapid adaptation. Consequently, our method achieves state-of-the-art performance on various distribution-shift benchmarks under the TTA setting. In CTTA and Gradual CTTA, it further improves accuracy by 3.4 percentage point (pp) and 2.4 pp, respectively, while requiring 385 times fewer trainable parameters. Our code is available in https://github.com/baek85/IMSE.

Computer Vision · Segmentation

Kun Cheng, Yukun Zhang, William Nailon, Tonggang Zhao

Deep neural networks for medical image segmentation often produce overconfident predictions, posing clinical risks due to miscalibrated uncertainty estimates. In this work, we rethink model calibration from a frequency-domain perspective and identify two critical factors causing miscalibration: spectral bias, where models overemphasize low-frequency components, and confidence saturation, which suppresses overall power spectral density in confidence maps. To address these challenges, we propose a novel frequency-aware calibration framework integrating spectral entropy regularization and power spectral smoothing. The spectral entropy term promotes a balanced frequency spectrum and enhances overall spectral power, enabling better modeling of high-frequency boundary and low-frequency structural uncertainty. The smoothing module stabilizes frequency-wise statistics across training batches, reducing sample-specific fluctuations. Extensive experiments on six public medical imaging datasets and multiple segmentation architectures demonstrate that our approach consistently improves calibration metrics without sacrificing segmentation accuracy.

Tongtong Wu, Yanming Li, Ziye Tang, Chen Jiang, Linhao Luo, Guilin Qi, Shirui Pan, Gholamreza Haffari

Large language model (LLM)-based multi-agent systems have shown strong capabilities in tasks such as code generation and collaborative reasoning. However, the effectiveness and robustness of these systems critically depend on their communication topology, which is often fixed or statically learned, ignoring real-world dynamics such as model upgrades, API (or tool) changes, or knowledge source variability. To address this limitation, we propose CARD (Conditional Agentic Graph Designer), a conditional graph-generation framework that instantiates AMACP, a protocol for adaptive multi-agent communication. CARD explicitly incorporates dynamic environmental signals into graph construction, enabling topology adaptation at both training and runtime. Through a conditional variational graph encoder and environment-aware optimization, CARD produces communication structures that are both effective and resilient to shifts in model capability or resource availability. Empirical results on HumanEval, MATH, and MMLU demonstrate that CARD consistently outperforms static and prompt-based baselines, achieving higher accuracy and robustness across diverse conditions. The source code is available at: https://github.com/Warma10032/CARD.

Theory · Learning Theory

Bingji Yi, Qiyuan Liu, Yuwei Cheng, Haifeng Xu

Synthetic data has been increasingly used to train frontier generative models. However, recent studies raise key concerns that iteratively retraining a generative model on its self-generated synthetic data may keep deteriorating model performance, a phenomenon often coined model collapse. In this paper, we investigate ways to modify the synthetic retraining process to avoid model collapse, and even possibly help reverse the trend from collapse to improvement. Our key finding is that by injecting information through an external synthetic data verifier, whether a human or a better model, synthetic retraining will not cause model collapse. Specifically, we situate our theoretical analysis in the fundamental linear regression setting, showing that verifier-guided retraining can yield near-term improvements, but ultimately drives the parameter estimate to the verifier's “knowledge center” in the long run. Our theory further predicts that, unless the verifier is perfectly reliable, these early gains will plateau and may even reverse. Indeed, our experiments across linear regression, Variational Autoencoders (VAEs) trained on MNIST, and fining-tuning SmolLM2-135M on the XSUM task confirm these theoretical insights.

Applications · Robotics

Jiahang Cao, Yize Huang, Hanzhong Guo, Qiang Zhang, Rui Zhang, Weijian Mai, Mu Nan, Jiaxu Wang, Hao Cheng, Jingkai SUN 等

Diffusion-based models for robotic control, including vision-language-action (VLA) and vision-action (VA) policies, have demonstrated significant capabilities. Yet their advancement is constrained by the high cost of acquiring large-scale interaction datasets. This work introduces an alternative paradigm for enhancing policy performance ***without additional model training***. Perhaps surprisingly, we demonstrate that the composed policies can exceed the performance of either parent policy. Our contribution is threefold. First, we establish a theoretical foundation showing that the convex composition of distributional scores from multiple diffusion models can yield a superior one-step functional objective compared to any individual score. A Grönwall-type bound is then used to show that this single-step improvement propagates through entire generation trajectories, leading to systemic performance gains. Second, motivated by these results, we propose General Policy Composition (GPC), a training-free method that enhances performance by combining the distributional scores of multiple pre-trained policies via a convex combination and test-time search. GPC is versatile, allowing for the plug-and-play composition of heterogeneous policies, including VA and VLA models, as well as those based on diffusion or flow-matching, irrespective of their input visual modalities. Third, we provide extensive empirical validation. Experiments on Robomimic, PushT, and RoboTwin benchmarks, alongside real-world robotic evaluations, confirm that GPC consistently improves performance and adaptability across a diverse set of tasks. Further analysis of alternative composition operators and weighting strategies offers insights into the mechanisms underlying the success of GPC. These results establish GPC as a simple yet effective method for improving control performance by leveraging existing policies.

Computer Vision · Image and Video Generation

Maria-Teresa De Rosa Palmini, Eva Cetinic

As Text-to-Image (TTI) diffusion models become increasingly influential in content creation, growing attention is being directed toward their societal and cultural implications. While prior research has primarily examined demographic and cultural biases, the ability of these models to accurately represent historical contexts remains largely underexplored. To address this gap, we introduce a benchmark for evaluating how TTI models depict historical contexts. The benchmark combines HistVis, a dataset of 30,000 synthetic images generated by three state-of-the-art diffusion models from carefully designed prompts covering universal human activities across multiple historical periods, with a reproducible evaluation protocol. We evaluate generated imagery across three key aspects: (1) Implicit Stylistic Associations: examining default visual styles associated with specific eras; (2) Historical Consistency: identifying anachronisms such as modern artifacts in pre-modern contexts; and (3) Demographic Representation: comparing generated racial and gender distributions against historically plausible baselines. Our findings reveal systematic inaccuracies in historically themed generated imagery, as TTI models frequently stereotype past eras by incorporating unstated stylistic cues, introduce anachronisms, and fail to reflect plausible demographic patterns. By providing a reproducible benchmark for historical representation in generated imagery, this work provides an initial step toward building more historically accurate TTI models.

Deep Learning · Everything Else

Xize Liang, Lin Yang, Jie Wang, Rui Liu, Yang Lu, Jinliang Zeng, Hanzhu Chen, Dong Li, Jianye Hao

Multi-domain reinforcement learning (RL) for large language models (LLMs) involves highly intricate reward surfaces, posing significant challenges in finding parameters that excel across all domains. Recent empirical studies have further highlighted conflicts among domains, where gains in one capability often come at the expense of another. However, approaches to mitigate such conflicts and enhance multi-domain reasoning remain largely underexplored. To address this challenge, we propose **C**urvature-**G**uided **P**olicy **O**ptimization (**CGPO**), a principled and scalable training framework to advance the multi-domain reasoning of LLMs. Inspired by Newton's method, CGPO exploits the geometric structure in the reward surface, while sidestepping the prohibitive cost of Hessian computation. At each update, CGPO processes domains in random order, preconditioning their gradients with curvature information from other domains to foster richer cross-domain interactions. This mechanism further promotes implicit gradient alignment by maximizing inter-domain inner products in expectation, steering the parameters toward regions that jointly enhance multi-domain performance. Extensive experiments on a mixed dataset covering math, coding, science, and creative writing, evaluated across seven widely-used benchmarks, show that CGPO significantly outperforms all baselines in terms of faster reward improvement and stronger multi-domain capability.

Applications · Physics

Jianing Huang, Kaixuan Zhang, Youjia Wu, Ze Cheng

Neural operators have become increasingly popular in solving partial differential equations (PDEs) due to their superior capability to capture intricate mappings between function spaces over complex domains. However, the data-hungry nature of operator learning inevitably poses a bottleneck for their widespread applications. At the core of the challenge lies the absence of transferability of neural operators to new geometries. To tackle this issue, we propose operator learning with domain decomposition, a local-to-global framework to solve PDEs on arbitrary geometries. Under this framework, we devise an iterative scheme Schwarz Neural Inference (SNI). This scheme allows for partitioning of the problem domain into smaller subdomains, on which local problems can be solved with neural operators, and stitching local solutions to construct a global solution. Additionally, we provide a theoretical analysis of the convergence rate and error bound. We conduct extensive experiments on several representative linear and nonlinear PDEs with diverse boundary conditions and achieve remarkable geometry generalization compared to alternative methods.These analysis and experiments demonstrate the proposed framework's potential in addressing challenges related to geometry generalization and data efficiency. The code is publicly available at this repository: https://github.com/questionstorer/sni.

Applications · Language, Speech and Dialog

Ilias Aarab

Zero-shot text classification (ZSC) offers the promise of eliminating costly task-specific annotation by matching texts directly to human-readable label descriptions. While early approaches have predominantly relied on cross-encoder models fine-tuned for natural language inference (NLI), recent advances in text-embedding models, rerankers, and instruction-tuned large language models (LLMs) have challenged the dominance of NLI-based architectures. Yet, systematically comparing these diverse approaches remains difficult. Existing evaluations, such as MTEB, often incorporate labeled examples through supervised probes or fine-tuning, leaving genuine zero-shot capabilities underexplored. To address this, we introduce __BTZSC__, a comprehensive benchmark of $22$ public datasets spanning sentiment, topic, intent, and emotion classification, capturing diverse domains, class cardinalities, and document lengths. Leveraging BTZSC, we conduct a systematic comparison across four major model families, NLI cross-encoders, embedding models, rerankers and instruction-tuned LLMs, encompassing $38$ public and custom checkpoints. Our results show that: (i) modern rerankers, exemplified by _Qwen3-Reranker-8B_, set a new state-of-the-art with macro $F_1 = 0.72$; (ii) strong embedding models such as _GTE-large-en-v1.5_ substantially close the accuracy gap while offering the best trade-off between accuracy and latency; (iii) instruction-tuned LLMs at 4-12B parameters achieve competitive performance (macro $F_1$ up to $0.67$), excelling particularly on topic classification but trailing specialized rerankers; (iv) NLI cross-encoders plateau even as backbone size increases; and (v) scaling primarily benefits rerankers and LLMs over embedding models. BTZSC and accompanying evaluation code are publicly released to support fair and reproducible progress in zero-shot text understanding.

Deep Learning · Generative Models and Autoencoders

Xiangjun Tang, Biao Zhang, Peter Wonka

Realistic human geometry generation is an important yet challenging task, requiring both the preservation of fine clothing details and the accurate modeling of clothing-body interactions. To tackle this challenge, we build upon Geometry distributions—a recently proposed representation that can model a single human geometry with high fidelity using a flow matching model. However, extending a single-geometry distribution to a dataset is non-trivial and inefficient for large-scale learning. To address this, we propose a new geometry distribution model by two key techniques: (1) encoding distributions as 2D feature maps rather than network parameters, and (2) using SMPL models as the domain instead of Gaussian and refining the associated flow velocity field. We then design a generative framework adopting a two-staged training paradigm analogous to state-of-the-art image and 3D generative models. In the first stage, we compress geometry distributions into a latent space using a diffusion flow model; the second stage trains another flow model on this latent space. We validate our approach on two key tasks: pose-conditioned random avatar generation and avatar-consistent novel pose synthesis. Experimental results demonstrate that our method outperforms existing state-of-the-art methods, achieving a 57% improvement in geometry quality.

General Machine Learning · Transfer, Multitask and Meta-learning

Geonwoo Cho, Jaegyun Im, Jihwan Lee, Hojun Yi, Sejin Kim, Sundong Kim

Generalizing deep reinforcement learning agents to unseen environments remains a significant challenge. One promising solution is Unsupervised Environment Design (UED), a co‑evolutionary framework in which a teacher adaptively generates tasks with high learning potential, while a student learns a robust policy from this evolving curriculum. Existing UED methods typically measure learning potential via regret, the gap between optimal and current performance, approximated solely by value‑function loss. Building on these approaches, we introduce the transition-prediction error as an additional term in our regret approximation. To capture how training on one task affects performance on others, we further propose a lightweight metric called Co-Learnability. By combining these two measures, we present Transition‑aware Regret Approximation with Co‑learnability for Environment Design (TRACED). Empirical evaluations show that TRACED produces curricula that improve zero-shot generalization over strong baselines across multiple benchmarks. Ablation studies confirm that the transition-prediction error drives rapid complexity ramp‑up and that Co‑Learnability delivers additional gains when paired with the transition-prediction error. These results demonstrate how refined regret approximation and explicit modeling of task relationships can be leveraged for sample-efficient curriculum design in UED. https://geonwoo.me/traced

General Machine Learning · Representation Learning

Kibum Kim, Sein Kim, HongSeok Kang, Jiwan Kim, Heewoong Noh, Yeonjun In, Kanghoon Yoon, Jinoh Oh, Julian McAuley, Chanyoung Park

Large Language Models (LLMs) have recently emerged as a powerful backbone for recommender systems. Existing LLM-based recommender systems take two different approaches for representing items in natural language, i.e., Attribute-based Representation and Description-based Representation. In this work, we aim to address the trade-off between efficiency and effectiveness that these two approaches encounter, when representing items consumed by users. Based on our observation that there is a significant information overlap between images and descriptions associated with items, we propose a novel method, **I**tem representation for **LLM**-based **Rec**ommender system (I-LLMRec). Our main idea is to leverage images as an alternative to lengthy textual descriptions for representing items, aiming at reducing token usage while preserving the rich semantic information of item descriptions. Through extensive experiments on real-world Amazon datasets, we demonstrate that I-LLMRec outperforms existing methods that leverage textual descriptions for representing items in both efficiency and effectiveness by leveraging images. Moreover, a further appeal of I-LLMRec is its ability to reduce sensitivity to noise in descriptions, leading to more robust recommendations.

Deep Learning · Everything Else

Xingli Fang, Jung-Eun Kim

Prior approaches for membership privacy preservation usually update or retrain all weights in neural networks, which is costly and can lead to unnecessary utility loss or even more serious misalignment in predictions between training data and non-training data. In this paper, we empirically show that only a very small number of weights are liable to membership privacy vulnerability. However, we also identify that those neurons are not only liable to membership privacy breach but also contribute to generalizability. According to these insights, to preserve privacy, instead of discarding those neurons, we rewind only the weights for fine-tuning. We show that through extensive experiments, this mechanism, plugged into other approaches, shows enhanced resilience against Membership Inference Attacks while maintaining utility.

Deep Learning · Robustness

Joy Dhar, Song Xia, Manish Pandey, Maryam Haghighat, Azadeh Alavi, Ferdous Sohel, Wenyu Zhang, Nayyar Zaidi

We introduce Hybrid Convolutions with Attention Stochasticity (HyCAS), an adversarial defense that narrows the long-standing gap between provable robustness under ℓ2 certificates and empirical robustness against strong ℓ∞ attacks, while preserving strong generalization across diverse imaging benchmarks. HyCAS unifies deterministic and randomized principles by coupling 1-Lipschitz, spectrally normalized convolutions with two stochastic components—spectral normalized random-projection filters and a randomized attention-noise mechanism—to realize a randomized defense. Injecting smoothing randomness inside the architecture yields an overall ≤ 2-Lipschitz network with formal certificates. Extensive experiments on diverse imaging benchmarks—including CIFAR-10/100, ImageNet-1k, NIH Chest X-ray, HAM10000—show that HyCAS surpasses prior leading certified and empirical defenses, boosting certified accuracy by up to ≈ 7.3% (on NIH Chest X-ray) and empirical robustness by up to ≈ 3.1% (on HAM10000), without sacrificing clean accuracy. These results show that a randomized Lipschitz constrained architecture can simultaneously improve both certified ℓ2 and empirical ℓ∞ adversarial robustness, thereby supporting safer deployment of deep models in high-stakes applications.

Applications · Chemistry and Drug Discovery

YUNYUE SU, Jiahui Chen, Zao Jiang, Zhenyi Zhong, Liang Wang, Qiang Liu, Zhaoxiang Zhang

Automated molecular structure elucidation remains challenging, as existing approaches often depend on pre-compiled databases or restrict themselves to single spectroscopic modalities. Here we introduce **SpectraLLM**, a large language model that performs end-to-end structure prediction by reasoning over one or multiple spectra. Unlike conventional spectrum-to-structure pipelines, SpectraLLM represents both continuous (IR, Raman, UV-Vis, NMR) and discrete (MS) modalities in a shared language space, enabling it to capture substructural patterns that are complementary across different spectral types. We pretrain and fine-tune the model on small-molecule domains and evaluate it on four public benchmark datasets. SpectraLLM achieves state-of-the-art performance, substantially surpassing single-modality baselines. Moreover, it demonstrates strong robustness in unimodal settings and further improves prediction accuracy when jointly reasoning over diverse spectra, establishing a scalable paradigm for language-based spectroscopic analysis.

Deep Learning · Attention Mechanisms

Pedro Sandoval-Segura, Xijun Wang, Ashwinee Panda, Micah Goldblum, Ronen Basri, Tom Goldstein, David Jacobs

Attention is foundational to large language models (LLMs), enabling different heads to have diverse focus on relevant input tokens. However, learned behaviors like attention sinks, where the first token receives the most attention despite limited semantic importance, suggest some heads may be inactive, and point to a significant source of computational redundancy. To analyze this phenomenon, we evaluate 12 score functions that measure different ways a head can be inactive. Thresholding these scores allows us to analyze different sets of potentially inactive attention heads. We evaluate whether identified heads are inactive through model interventions, finding that more than 12% of attention heads are inactive on average, and can be ablated in specific contexts while maintaining MMLU accuracy to within 1% of the pretrained LLM. Across 3 model families, our score functions that measure the average norm of a head's output consistently identify inactive heads that would not have been found by score functions that rely solely on attention weights. We establish that relying on a score function that measures a first token attention sink would underestimate the prevalence of inactive heads, failing to identify more than 7\% of inactive heads on average. We also show how measuring score distributions can provide insights into attention behavior. For instance, we find evidence that finetuning causes little to no change in attention behavior, and that even within the same model family, large model scales present different attention behaviors.

Applications · Physics

Darya Biparva, Maarten Schoukens, Donatello Materassi

State-of-the-art machine learning models often incorporate prior knowledge or structural information about the task or data distribution. In some tasks, such knowledge may arise from first principles or emerge as simplified, learned functions that distill essential aspects of the data distribution. Model augmentation has emerged as a strategy to leverage this structured knowledge by coupling it with an auxiliary model to improve predictive performance, while preserving the interpretability offered by the simpler component. In this work, we present a new augmentation framework called the Tutor-Pupil scheme, which is designed to enhance both performance and interpretability. The Pupil is a fixed model, structurally designed for the core task, while the Tutor is a more flexible model trained to apply minimal input-level corrections to improve the Pupil’s performance on the modified input. This strict separation of roles enables the Tutor not only to compensate for the Pupil’s limitations but also to act as a diagnostic instrument. By examining the Tutor’s targeted interventions, we can identify failure modes, detect regions where the Pupil struggles to generalize, and uncover residual patterns or higher-order structures in the data not captured by the original model.

General Machine Learning · Probabilistic Methods

Thomas Möllenhoff, Siddharth Swaroop, Finale Doshi-Velez, Mohammad Emtiyaz Khan

We propose a new Bayesian approach to generalize the federated Alternating Direction Method of Multipliers (ADMM). We show that the solutions of variational-Bayesian (VB) objectives are associated with a duality structure that not only resembles the structure of ADMM's fixed-points but also generalizes it. For example, ADMM-like updates are recovered when the VB objective is optimized over the isotropic-Gaussian family, and new non-trivial extensions are obtained for other exponential-family distributions. These extensions include a Newton-like variant that converges in one step on quadratic objectives and an Adam-like variant that yields up to 7% accuracy boosts for deep heterogeneous cases. Our work opens a new Bayesian way to generalize ADMM and other primal-dual methods.

Doyoung Kim, JaeHyeok Doo, Minjoon Seo

Language models generate reasoning sequentially, preventing them from decoupling irrelevant exploration paths during search. We introduce Tree-Structured Language Modeling (TSLM), which uses special tokens to encode branching structure, enabling models to generate and selectively expand multiple search paths within a single generation process. By training on complete search trees including both successful and failed attempts, TSLM learns to internalize systematic exploration without redundant recomputation of shared prefixes. TSLM achieves 100\% accuracy on Game of 24 (vs. 17\% sequential baseline), robust extrapolation to 20×20 grids (91.5\% vs. 42.7\% for Tree-of-Thought), and superior inference efficiency by avoiding the multiple independent forward passes required by external search methods. These results suggest a new paradigm of inference-time scaling for robust reasoning, demonstrating that supervised learning on complete tree-structured traces provides an efficient alternative for developing systematic exploration capabilities in language models.

Applications · Everything Else

Claire Wang, Ziyang Li, Saikat Dutta, Mayur Naik

CodeQL is a powerful static analysis engine that represents programs’ abstract syntax trees as databases that can be queried to detect security vulnerabilities. While CodeQL supports expressive interprocedural dataflow queries, the coverage and precision of its existing security queries remain limited, and writing new queries is challenging even for experts. Automatically synthesizing CodeQL queries from known vulnerabilities (CVEs) can provide fine-grained vulnerability signatures, enabling both improved detection and systematic variant analysis. We present QLCoder, an agentic framework for synthesizing CodeQL queries from known CVE descriptions. QLCoder leverages the Model Context Protocol (MCP) for agentic tool use, integrates abstract syntax tree guidance, and incorporates CodeQL’s language infrastructure and documentation into the synthesis loop. A key challenge is that state-of-the-art large language models hallucinate deprecated CodeQL syntax due to limited training data and outdated knowledge. QLCoder addresses this by combining contextual engineering, iterative query feedback, and structured tool interaction to reliably generate executable, up-to-date queries.