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Social Aspects · Security

Binyan Xu, Fan YANG, Xilin Dai, Di Tang, Kehuan Zhang

Deep Neural Networks (DNNs) remain fundamentally vulnerable to backdoor attacks. Traditional data-free defenses largely operate under the paradigm of internal diagnosis methods like model repairing or input robustness, yet these approaches are often fragile under advanced attacks as they remain entangled with the victim model’s corrupted parameters. We propose a paradigm shift to data-free External Semantic Auditing, using universal Vision-Language Models (VLMs) as independent auditors to decouple defense from the compromised model. We introduce PRISM (Prototype Refinement & Inspection via Statistical Monitoring), which transforms generic VLMs into domain-adaptive gatekeepers purely via online test-time adaptation. PRISM bridges the domain gap through a Hybrid VLM Teacher that refines prototypes from the test stream and an Adaptive Router that calibrates thresholds via statistical monitoring. Evaluation across 17 datasets and 11 attack types confirms PRISM achieves state-of-the-art performance (suppressing Attack Success Rate to < 1% on CIFAR-10), proving that robust defense is achievable without touching the model weights or accessing a single training sample.

Applications · Neuroscience, Cognitive Science

Jack Goffinet, Casey Hanks, David Carlson

Oscillatory neural signals such as electroencephalography (EEG) and local field potentials (LFPs) show phase relationships that coordinate communication across brain regions. Modern recordings capture hundreds of channels across many frequency bins, yet standard phase analyses are restricted to only a few variables. The Torus Graph (TG) model, an exponential-family distribution over phases whose univariate and pairwise potentials generalize von Mises distributions, infers principled structure among oscillations but models only static, undirected dependencies and is limited to $\sim 100$ variables because its score matching inference scales as $\mathcal{O}(d^{6})$. We introduce a stochastic score matching procedure that reduces the per-iteration cost to $\mathcal{O}(d^{2})$, enabling inference on datasets with thousands of variables. This scalable foundation supports analyses of 1,860 frequency-phase features from multi-electrode LFPs and enables two extensions previously inaccessible to TGs or classical circular statistics: (i) a TG-Hidden Markov Model capturing state-dependent phase-coupling changes (e.g., spindle-related states during sleep) and (ii) an autoregressive TG inferring directional interactions via transfer-entropy estimation. Applied to LFP recordings, these models reveal state-dependent phase-interaction patterns between wakefulness and NREM sleep. Together, they enable systematic, large-scale mapping of dynamic and directional phase relationships across brain and cognitive states.

Applications · Neuroscience, Cognitive Science

Chang Qi, Matteo Forasassi, Thomas Lukasiewicz, Tommaso Salvatori

Predictive coding networks are neural models that perform inference through an iterative energy minimization process. While effective in shallow architectures, they suffer significant performance degradation beyond five to seven layers. In this work, we show that this degradation is caused by exponentially imbalanced errors between layers during weight updates, and the predictions from the previous layers not being effective in guiding updates in deeper layers. Furthermore, when training models with skip connections, the energy propagated by the residuals reaches higher layers faster than the one propagated by the main pathway, affecting test accuracy. We address the first issue by introducing a novel precision-weighted optimization of latent variables that balances error distributions during the relaxation phase, the second issue by proposing a novel weight update mechanism that reduces error accumulation in deeper layers, and the third one by using identity nodes that slow down the propagation of the energy in the residual connections. Empirically, our methods achieve performance comparable to backpropagation on deep models such as ResNet18, opening new possibilities for predictive coding in complex tasks.

Deep Learning · Everything Else

Ruihan Liu, Yu Ji, Jianbo Yu, Shifu Yan, Qingchao Jiang

Tensor-valued prediction is fundamental to geometric deep learning, yet uncertainty quantification (UQ) for such outputs remains an open challenge. While E(3)-equivariant neural networks excel at point estimates, they lack rigorous confidence measures. We introduce a general framework for E(3)-equivariant UQ, modeling the full predictive distribution where both mean and covariance preserve rotational symmetry. Our approach decomposes the covariance into irreducible representations $\mathrm{Sym}^2(\rho_c) \cong 2\times(l=0) \oplus 2\times(l=2) \oplus 1\times(l=4)$. By mapping from the flat Lie algebra $\mathfrak{sym}(6)$ to the curved SPD manifold via matrix exponentiation, we strictly ensure positive-definite covariances while maintaining exact equivariance. Furthermore, we formulate a Log-Euclidean Equivariant Scoring Objective (LE-ESO)---a robust surrogate loss based on the Multivariate Laplace distribution---providing mathematical robustness to heavy-tailed errors and guaranteed stability. Extensive validation on ModelNet40 (inertia tensors) and large-scale materials science benchmarks (dielectric tensors) demonstrates that our method achieves competitive performance and provides physically consistent, symmetry-preserving uncertainty estimates with reliable OOD detection capabilities.

Weixiang Zhao, Yingshuo Wang, Yichen Zhang, Yang Deng, Yanyan Zhao, Wanxiang Che, Bing Qin, Ting Liu

Self-evolving large language model (LLM) agents continually improve by accumulating and reusing past experience, yet it remains unclear whether they faithfully rely on that experience to guide their behavior. We present the first systematic investigation of \emph{experience faithfulness}—the causal dependence of an agent's decisions on the experience it is given—in self-evolving LLM agents. Using controlled causal interventions on both raw and condensed forms of experience, we comprehensively evaluate four representative frameworks across 10 LLM backbones and 9 environments. Our analysis uncovers a striking asymmetry: while agents consistently depend on raw experience, they often disregard or misinterpret condensed experience, even when it is the only experience provided. This gap persists across single- and multi-agent configurations and across backbone scales. We trace its underlying causes to three factors: the semantic limitations of condensed content, internal processing biases that suppress experience, and task regimes where pretrained priors already suffice. These findings challenge prevailing assumptions about self-evolving methods and underscore the need for more faithful and reliable approaches to experience integration.

Deep Learning · Large Language Models

Atharva Kulkarni, Jacob Mitchell Springer, Arjun Subramonian, Swabha Swayamdipta

Geometric properties of Transformer weights, particularly the unembedding matrix, have been widely useful in language model interpretability research. Yet, their utility for estimating downstream performance remains unclear. In this work, we systematically investigate the relationship between model performance and the unembedding matrix geometry, particularly its effective rank. Our experiments, involving a suite of 108 OLMo-style language models trained under controlled variation, reveal several key findings. While the best-performing models often exhibit a high effective rank, this trend is not universal across tasks and training setups. Contrary to prior work, we find that low effective rank does not cause late-stage performance degradation in small models, but instead co-occurs with it; we find adversarial cases where low-rank models do not exhibit saturation. Moreover, we show that effective rank is strongly influenced by pre-training hyperparameters, such as batch size and weight decay, which in-turn affect the model's performance. Lastly, extending our analysis to other geometric metrics and final-layer representation, we find that these metrics are largely aligned, but none can reliably predict downstream performance. Overall, our findings suggest that the model's geometry, as captured by existing metrics, primarily reflects training choices rather than performance.

Deep Learning · Large Language Models

Caroline Choi, Zeyneb Kaya, Shirley Wu, Tengyu Ma, Tatsunori Hashimoto, Ludwig Schmidt

Code repair is an important capability for language models (LMs): given a buggy program and unit tests, an LM must produce a fixed program that passes the tests. We aim to scale supervision for code repair by having an LM generate bug--fix tasks with unconstrained edits, using unit tests as the only verifier. We propose generator-fixer self-play, in which a single model is trained with reinforcement learning to alternate between generating bugs and fixing them. As the fixer improves, the generator adapts to produce increasingly difficult bugs, yielding an automatic curriculum. However, because unit tests certify correctness but not realism, we find that the generator can drift from bugs encountered in practice, improving repair on self-generated bugs while degrading on real-world bugs. We propose Anchored Self Play (ASP), which anchors self-play with a small reference set by (i) adding a code-embedding similarity reward to guide generation and (ii) mixing reference bugs into fixer training to prevent drift. To reflect LM-assisted programming, where bugs come from humans, LMs, and human edits of LM code, we introduce BugSourceBench, a code repair benchmark spanning human-authored bugs, human-edited buggy LM code, and errors in LM-generated code. Across bug sources, ASP achieves the best fix rates, improving average fix rate by $+25$% (relative) / $+7.2$ pp (absolute) over standard self-play, with gains on both LM-error bugs ($+100$% relative / $+11$ pp absolute) and human-authored bugs ($+7.1$% relative / $+3.4$ pp absolute).

Deep Learning · Large Language Models

Ernests Lavrinovics, Russa Biswas, Katja Hose, Johannes Bjerva

Large Language Models (LLMs) have inherent limitations of faithfulness and factuality, commonly referred to as hallucinations. Several benchmarks have been developed that provide a test bed for factuality evaluation within the context of English-centric datasets, while relying on supplementary informative context like web links or text passages but ignoring the available structured factual resources. To this end, Knowledge Graphs (KGs) have been identified as a useful aid for hallucination mitigation, as they provide a structured way to represent the facts about entities and their relations with minimal linguistic overhead. We bridge the lack of KG paths and multilinguality for factual language modeling within the existing hallucination evaluation benchmarks and propose a KG-based multilingual, multihop benchmark called MultiHal framed for generative text evaluation. As part of our data collection pipeline, we mined 140k KG-paths from open-domain KGs, from which we pruned noisy KG-paths, curating a high-quality subset of 25.9k. Our baseline evaluation shows an absolute scale improvement by approximately 0.12 to 0.36 points for the semantic similarity score, 0.16 to 0.36 for NLI entailment and 0.29 to 0.42 for hallucination detection in KG-RAG over vanilla QA across multiple languages and multiple models, demonstrating the potential of KG integration. We anticipate MultiHal will foster future research towards several graph-based hallucination mitigation and fact-checking tasks.

General Machine Learning · Causality

Victoria Lin, Louis-Philippe Morency, Eli Ben-Michael

Despite their impressive performance on a wide variety of tasks, modern language models remain susceptible to distribution shifts, exhibiting brittle behavior when evaluated on data that differs in distribution from their training data. In this paper, we describe how distribution shifts in language models can be separated into *observable* and *unobservable* components, and we discuss how established approaches for dealing with distribution shift address only the former. Importantly, we identify that the resulting *omitted variable bias* from unobserved variables can compromise both evaluation and optimization in language models. To address this challenge, we introduce a framework that maps the strength of the omitted variables to bounds on the *worst-case generalization performance* of language models under distribution shift. In empirical experiments, we show that using these bounds directly in language model evaluation and optimization provides more principled measures of out-of-distribution performance, improves true out-of-distribution performance relative to standard distribution shift adjustment methods, and further enables inference about the strength of the omitted variables when target distribution labels are available.

Social Aspects · Security

junyong jiang, Xin Yuan, Longhe Lin, Songze Li, Lu Dong

Cooperative multi-agent reinforcement learning (CMARL) policies are vulnerable to action hijacking even when only a few timesteps are compromised. Recent adversarial attacks and adversarial training methods have been explored, but under an explicit attack budget, existing attacks often fail to accurately expose critical coordination weaknesses and incur substantial training cost. We propose Budgeted Hierarchical Efficient Attack (BHEA), a budgeted hierarchical adversarial attack that separates decisions on when and which agents to hijack from action replacement, enabling more precise vulnerability discovery under limited attack opportunities. We further show that training cooperative policies against BHEA substantially improves robustness to limited-step action hijacking while reducing training overhead. Experiments on the StarCraft Multi-Agent Challenge (SMAC) demonstrate stronger attacks under the same attack budget and improved robustness. Code is available at https://anonymous.4open.science/r/BHEA-068D.

Deep Learning · Everything Else

Nikolay Kartashev, Ivan Rubachev, Artem Babenko

Recent advancements in tabular deep learning have demonstrated exceptional practical performance, yet the field often lacks a clear understanding of why these techniques actually succeed. To address this gap, our paper highlights the importance of the concept of data (aleatoric) uncertainty for explaining the effectiveness of recent tabular DL methods. While data uncertainty leads to irreducible prediction errors on test samples, it also introduces stochasticity into the training signal that can impede effective learning. We demonstrate that tabular methods differ significantly in their ability to cope with this optimization challenge. Specifically, we reveal that the success of many beneficial design choices in tabular DL, such as numerical feature embeddings, advanced ensembling strategies, retrieval-augmented models, and tabular Prior-Fitted Networks, can be partially attributed to their respective implicit mechanisms for performing well under high data uncertainty. By dissecting these varied mechanisms, we provide a unifying understanding of recent performance improvements. Furthermore, leveraging insights from this perspective, we design a novel, more effective numerical feature embedding method as an immediate practical outcome of our analysis. Overall, our work paves the way toward a principled understanding of the benefits introduced by modern tabular methods that results in the concrete advancements of existing techniques and outlines future research directions for tabular DL.

Applications · Computer Vision

Jiae Yoon, Ue-Hwan Kim

Detecting what has changed in an environment is essential for long-term autonomy, yet most change detection settings assume fixed viewpoints, mild misalignment, or only a few changed objects. We introduce Video-based Scene Change Detection (VSCD), which predicts a pixel-wise change mask for each query frame, given a reference and a query RGB video of the same indoor space recorded at different times under unconstrained camera motion. The two videos are not temporally synchronized, and many object instances may appear or disappear. To study this setting, we build a large-scale benchmark with over 1.1 million frames annotated with pixel-accurate change masks, together with a real-world test set for evaluating transfer beyond simulation. We propose a query-centric multi-reference model that learns temporal matching implicitly from change-mask supervision, aligns candidate reference features to the query via local patch correspondence, and fuses per-candidate change features using frame-level and patch-level confidence before decoding a high-resolution mask once per frame. Our approach achieves state-of-the-art performance against strong image- and video-based baselines, and we validate its real-world impact by deploying it on a mobile robot for two downstream applications—visual surveillance and object incremental learning.

Andrei Lupu, Timon Willi, Jakob Foerster

As Large Language Models (LLMs) gain agentic abilities, they will have to navigate complex multi-agent scenarios, interacting with human users and other agents in cooperative and competitive settings. This will require new reasoning skills, a crucial one being theory of mind (ToM), or the ability to reason about the "mental" states of other agents. However, ToM and other multi-agent abilities in LLMs are poorly understood, since existing benchmarks suffer from narrow scope, data leakage, saturation, and lack of interactivity. We thus propose Decrypto, a game-based benchmark for multi-agent reasoning and ToM drawing inspiration from cognitive science, computational pragmatics and multi-agent reinforcement learning. It is designed to be as easy as possible in all other dimensions, eliminating confounding factors commonly found in other benchmarks. To our knowledge, it is also the first platform for designing interactive ToM experiments. We validate the benchmark design through comprehensive empirical evaluations of frontier LLMs, robustness studies, and human-AI cross-play experiments. We find that LLM game-playing abilities lag behind humans and simple word-embedding baselines. We then create variants of two classic cognitive science experiments within Decrypto to evaluate three key ToM abilities. Surprisingly, we find that state-of-the-art reasoning models are significantly worse at those tasks than their older counterparts. This demonstrates that Decrypto addresses a crucial gap in current reasoning and ToM evaluations, and paves the path towards better artificial agents. Code at anonymous.4open.science/r/decrypto/.

Deep Learning · Large Language Models

Laziz Abdullaev, Noelle Y. L. Wong, Ryan Lee, Shiqi Jiang, Minh-Khoi Nguyen-Nhat, Tan Nguyen

Representation steering offers a lightweight mechanism for controlling the behavior of large language models (LLMs) by intervening on internal activations at inference time. Most existing methods rely on a single global steering direction, typically obtained via difference-in-means over contrastive datasets. This approach implicitly assumes that the target concept is homogeneously represented across the embedding space. In practice, however, LLM representations can be highly non-homogeneous, exhibiting clustered, context-dependent structure, which renders global steering directions brittle. In this work, we view representation steering through the lens of optimal transport (OT), noting that standard difference-in-means steering implicitly corresponds to the OT map between two unimodal Gaussian distributions with identical covariance, yielding a global translation. To relax this restrictive assumption, we theoretically model source and target representations as Gaussian mixture models and formulate steering as a discrete OT problem between semantic latent clusters. From the resulting transport plan, we derive an explicit, input-dependent steering map via barycentric projection, producing a smooth, kernel-weighted combination of cluster-level shifts. We term this method Concept Heterogeneity-aware Representation Steering (CHaRS). Through numerous experimental settings, we show that CHaRS yields more effective behavioral control than global steering.

Applications · Chemistry, Physics, and Earth Sciences

Dexiong Chen, Andrei Manolache, Mathias Niepert, Karsten Borgwardt

Classifying protein topology is essential for deciphering biological function, but progress is held back by the lack of large-scale benchmarks that avoid duplicates and by models that do not scale well. We introduce TEDBench, a large-scale, non-redundant benchmark for protein fold classification constructed from the Encyclopedia of Domains (TED) and Foldseek-clustered AlphaFold structures. We show that on TEDBench, current protein representation learning methods either require very large models or fail to deliver strong performance. To address this challenge, we propose Masked Invariant Autoencoders (MiAE), a self-supervised framework for protein structure representation learning. MiAE uses an extremely high masking ratio of up to 90% with an $\mathrm{SE(3)}$-invariant encoder and a lightweight decoder that reconstructs backbone coordinates from the latent representation and mask tokens. MiAE scales well and outperforms supervised counterparts and state-of-the-art baselines on TEDBench, establishing a strong recipe for protein fold classification. To test transfer beyond AlphaFold structures, we further benchmark on a curated dataset from experimental structures of CATH 4.4. We will release TEDBench and model checkpoints.

Applications · Health / Medicine

Jiawei Zhang, Kangjun Jin, Shuai Xiao, Jiachen Yang

Measuring single-cell protein abundance is essential for resolving biological mechanisms and disease progression with high resolution. However, due to the high costs and antibody throughput limitations of current proteomics, inferring protein levels from readily available RNA data has become a critical computational necessity. Existing regression and generative methods face a fundamental geometric bottleneck: enforcing deterministic constraints on noisy, heteroscedastic data collapses intrinsic uncertainty into a rough latent manifold, which destabilizes the learning process. To overcome this, we present scChord, a noise-decoupled conditional flow matching framework built on Probabilistic Manifold Rectification. Our approach utilizes a probabilistic decoder to disentangle technical noise and over-dispersion from the raw counts, absorbing them into distributional parameters. This allows the rectified latent manifold to focus more on biological signals, serving as a robust geometric regularizer for learning efficient transport trajectories. Extensive experiments on multiple multi-omics benchmarks demonstrate that scChord not only achieves state-of-the-art inference accuracy but also faithfully reconstructs high-fidelity biological heterogeneity and complex protein distributions.

Theory · Learning Theory

Wenxuan Zhou, Shujian Zhang, brice magdalou, John Lambert, Ehsan Amid, Richard Nock, Andrew Hard

Normative theories allow one to elicit key parts of a ML algorithm from first principles, which is crucial at a time of championed scrutiny for ML work. Direct Preference Optimization (DPO) cleverly bypasses reward modeling by making an explicit link with a specific normative model of human choice. Our paper elevates this connection to the full generality of DPO's normative framework. Getting there requires reworking social choice theory's textbook path for a better RLHF/ML fit. It elevates the connection to a remarkably broad viewpoint on preference optimization, considering the current panorama of DPO follow-ups. It also unveils unexpected riches for ML, chief among which the support for *non-convex* losses, the fact that *any* compliant ML analytical choice can be embedded with *any* human choice model, and a normative framework's umbrella wide enough to safeguard DPO's *extensions* (margins, length correction, ...). A *toy* experiment ``far away'' from the DPO crowd is given.

General Machine Learning · Representation Learning

Wenzhe Yin, Pan Zhou, Zehao Xiao, Jie Liu, Shujian Yu, Jan-jakob Sonke, Efstratios Gavves

Multimodal representation learning aims to construct a shared embedding space in which heterogeneous modalities are semantically aligned. Despite strong empirical results, InfoNCE-based objectives introduce inherent conflicts that yield distribution gaps across modalities. In this work, we identify two conflicts in the multimodal regime, both exacerbated as the number of modalities increases: (i) an alignment–uniformity conflict, whereby the repulsion of uniformity undermines pairwise alignment, and (ii) an intra-alignment conflict, where aligning multiple modalities induces competing alignment directions. To address these issues, we propose a principled decoupling of alignment and uniformity for multimodal representations, providing a conflict-free recipe for multimodal learning that simultaneously supports discriminative and generative use cases without task-specific modules. We then provide a theoretical guarantee that our method acts as an efficient proxy for a global Hölder divergence over multiple modality distributions, and thus reduces the distribution gap among modalities. Extensive experiments on retrieval and UnCLIP-style generation demonstrate consistent gains.

Reinforcement Learning · Deep RL

Yucen Wang, Fengming Zhang, De-Chuan Zhan, Li Zhao, Kaixin Wang, Jiang Bian

Adapting pre-trained video generation models into controllable world models via latent actions is a promising step towards creating generalist world models. The dominant paradigm adopts a two-stage approach that trains latent action model (LAM) and the world model separately, resulting in redundant training and limiting their potential for co-adaptation. A conceptually simple and appealing idea is to directly replace the forward dynamic model in LAM with a powerful world model and training them jointly, but it is non-trivial and prone to representational collapse. In this work, we propose CoLA-World, which for the first time successfully realizes this synergistic paradigm, resolving the core challenge in joint learning through a critical warm-up phase that effectively aligns the representations of the from-scratch LAM with the pre-trained world model. This unlocks a co-evolution cycle: the world model acts as a knowledgeable tutor, providing gradients to shape a high-quality LAM, while the LAM offers a more precise and adaptable control interface to the world model. Empirically, CoLA-World matches or outperforms prior two-stage methods in both video simulation quality and downstream visual planning, establishing a robust and efficient new paradigm for the field.

Theory · Learning Theory

Kasper Green Larsen, Natascha Schalburg

We prove the first margin-based generalization bound for voting classifiers, that is asymptotically tight in the tradeoff between the size of the hypothesis set, the margin, the fraction of training points with the given margin, the number of training samples and the failure probability.