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General Machine Learning · Causality

Ramesh Arvind Naagarajan, Zühal Wagner, Stefan Streif

Model Predictive Control (MPC) is widely used to operate safety-critical infrastructure by predicting future trajectories and optimizing control actions. However, nonlinear dynamics, hard safety constraints, and numerical optimization often render individual control moves opaque to human operators, undermining trust and hindering deployment. This paper presents Hierarchical Causal Abduction (HCA), which combines (i) physics-informed reasoning via domain knowledge graphs, (ii) optimization evidence from Karush--Kuhn--Tucker (KKT) multipliers, and (iii) temporal causal discovery via the PCMCI algorithm to generate faithful, human-interpretable explanations for control actions computed by nonlinear MPC. Across three diverse control applications (greenhouse climate, building HVAC, chemical process engineering) with expert validation, HCA improves explanation accuracy by 53\% over LIME (0.478 vs. 0.311) using a single set of cross-domain parameters without per-domain tuning; domain-specific KKT-threshold calibration over 2--3 days further increases accuracy to 0.88. Ablation studies confirm that each evidence source is essential, with 32--37\% accuracy degradation when any component is removed, and HCA's ranking-and-validation methodology generalizes beyond MPC to other prediction-based decision systems, including learning-based control and trajectory planning.

Deep Learning · Sequential Models, Time series

Alexis-Raja Brachet, Pierre-Yves Richard, Céline Hudelot

While deep learning is facing an homogenization across modalities led by Transformers, they are still challenged by shallow linear models in the time-series forecasting task. Our hypothesis is that models should learn a direct link from past to future data points, which we identify as a learning dynamics capability. We develop an original $\texttt{PRO-DYN}$ nomenclature to analyze existing models through the lens of dynamics. Two observations thus emerge: **1.** under-performing architectures learn dynamics at most partially, **2.** the location of the dynamics block at the model end is of prime importance. Our systemic and empirical studies both confirm our observations on a set of performance-varying models with diverse backbones. We propose a simple plug-and-play methodology guiding model designs and improvements.

General Machine Learning · Representation Learning

Zhichao Chen, Yongle Zhao, Kaicheng Yang, Meng Yang, Yin Xie, Ziyong Feng

We propose Intrinsic Quality (IQ), a validation-free metric designed to estimate the inherent potential of face recognition (FR) datasets to produce high-performance models without the need for full-scale training. IQ integrates two components: (i) a Neighbor-Consistency Score that quantifies local identity label agreement via nearest neighbors, and (ii) Global Representation Subspace Complexity (Effective Rank, ER), which captures the underlying embedding geometry and dataset diversity. IQ allows for rapid evaluation using lightweight proxy models or data subsets, facilitating dataset diagnosis and curation prior to resource-intensive full-scale training. We describe an experimental protocol tailored to clean, noisy, and mixed‑quality FR datasets, and outline evaluation methodologies to validate IQ’s predictive power for downstream performance.

Deep Learning · Large Language Models

Jianwen Sun, Yukang Feng, Yifan Chang, Chuanhao Li, Zizhen Li, Jiaxin Ai, Fanrui Zhang, Yu Dai, Kaipeng Zhang

A fundamental bottleneck in human-AI collaboration is the "intention expression gap", the difficulty for humans to effectively convey complex, high-dimensional thoughts to AI. This challenge often traps users in inefficient trial-and-error loops and is exacerbated by the diverse expertise levels of users. We reframe this problem from passive instruction following to a Socratic collaboration paradigm, proposing an agent that actively probes for information to resolve its uncertainty about user intent. we name the proposed agent Nous, trained to acquire proficiency in this inquiry policy. The core mechanism of Nous is a training framework grounded in the first principles of information theory. Within this framework, we define the information gain from dialogue as an intrinsic reward signal, which is fundamentally equivalent to the reduction of Shannon entropy over a structured task space. This reward design enables us to avoid reliance on costly human preference annotations or external reward models. To validate our framework, we develop an automated simulation pipeline to generate a large-scale, preference-based dataset for the challenging task of scientific diagram generation. Comprehensive experiments, including ablations, subjective and objective evaluations, and tests across user expertise levels, demonstrate the effectiveness of our proposed framework. Nous achieves leading efficiency and output quality, while remaining robust to varying user expertise. In conclusion, our research provides a systematic methodology and a new perspective for addressing the issue of ambiguous intentions in complex human-machine collaboration.

Deep Learning · Other Representation Learning

Daniele Savietto, Declan Campbell, André Panisson, Marco Nurisso, Giovanni Petri, Jonathan Cohen, Alan Perotti

Vision-Language Models (VLMs) exhibit puzzling failures in multi-object visual tasks, such as hallucinating non-existent elements or failing to identify the most similar objects among distractions. While these errors mirror human cognitive constraints, such as the "Binding Problem'', the internal mechanisms driving them in artificial systems remain poorly understood. Here, we propose a mechanistic insight by analyzing the representational geometry of open-weight VLMs (Qwen, InternVL, Gemma), comparing methodologies to distill "concept vectors'' - latent directions encoding visual concepts. We validate our concept vectors via steering interventions that reliably manipulate model behavior in both simplified and naturalistic vision tasks (e.g., forcing the model to perceive a red flower as blue). We observe that the geometric overlap between these vectors strongly correlates with specific error patterns, offering a grounded quantitative framework to understand how internal representations shape model behavior and drive visual failures.

Deep Learning · Large Language Models

Haokun Liu, Gyung Hyun Je, Marco Ciccone, Zhenlin Xu, Prasanth YSS, Colin Raffel

The widespread availability of fine-tuned LoRA modules for open pre-trained models has led to an interest in methods that can adaptively merge LoRAs to improve performance. These methods typically include some way of selecting LoRAs from a pool and tune merging coefficients based on a task-specific dataset. While adaptive merging methods have demonstrated improvements in some settings, no past work has attempted to recycle LoRAs found ``in the wild'' on model repositories like the Hugging Face Hub. To address this gap, we consider recycling from a pool of nearly 1,000 user-contributed LoRAs trained from the Llama 3.1 8B-Instruct language model. Our empirical study includes a range of adaptive and non-adaptive merging methods in addition to a new method designed via a wide search over the methodological design space. We demonstrate that adaptive merging methods can improve performance over the base model but provide limited benefit over training a new LoRA on the same data used to set merging coefficients. We additionally find not only that the specific choice of LoRAs to merge has little importance, but that using LoRAs with randomly initialized parameter values yields similar performance. This raises the possibility that adaptive merging from recycled LoRAs primarily works via some kind of regularization effect, rather than by enabling positive cross-task transfer. To better understand why past work has proven successful, we confirm that positive transfer is indeed possible when there are highly relevant LoRAs in the pool. We release the model checkpoints and code online.

Tianhao Huang, Guanghui Min, zhenyu lei, Aiying Zhang, Chen Chen

Unraveling how macroscopic cognitive phenotypes emerge from microscopic neuronal connectivity remains one of the core pursuits of neuroscience. To this end, researchers typically leverage multi-modal information from structural connectivity (SC) and functional connectivity (FC) to complete downstream tasks. Recent methodologies explore the intricate coupling mechanisms between SC and FC, attempting to fuse their representations at the regional level. However, lacking fundamental neuroscientific insight, these approaches fail to uncover the latent interactions between neural regions underlying these connectomes, and thus cannot explain why SC and FC exhibit dynamic states of both coupling and heterogeneity. In this paper, we formulate multi-modal fusion through the lens of neural communication dynamics and propose the Adaptive Flow Routing Network (AFR-Net), a physics-informed framework that models how structural constraints (SC) give rise to functional communication patterns (FC), enabling interpretable discovery of critical neural pathways. Extensive experiments demonstrate that AFR-Net significantly outperforms state-of-the-art baselines. The code is available at \url{https://anonymous.4open.science/r/DIAL-F0D1}.

General Machine Learning · Methodology

Haruki Yajima, Yusuke Matsui

Tree ensembles are machine learning models with strong predictive performance and interpretability, and remain widely used for tabular data. Standard pruning methods for tree ensembles typically optimize an accuracy–compression trade-off and may change a subset of predictions, potentially compromising decision consistency. Faithful pruning methods address this issue by preserving prediction equivalence over the entire input space, but this requirement leads to lower compression ratios. We propose **PINE**, a pruning method that provides strong guarantees within an in-distribution region. PINE preserves prediction equivalence within this region and controls the region size using a single parameter $\\alpha$ via conformal calibration. Experiments on 12 public tabular datasets show that PINE improves the compression ratio by up to 30% while maintaining a comparable rate of prediction equivalence to existing faithful pruning methods. As a result, PINE achieves an improved equivalence–compression trade-off.

Optimization · Non-Convex

Haolin Pan, Lianghong Huang, Dong Jinyuan, Mingjie Xing, Yanjun Wu

Compiler auto-tuning faces a dichotomy between traditional black-box search methods, which lack semantic guidance, and recent Large Language Model (LLM) approaches, which often suffer from superficial pattern matching and causal opacity. In this paper, we introduce ECCO, a framework that bridges interpretable reasoning with combinatorial search. We first propose a reverse engineering methodology to construct a Chain-of-Thought dataset, explicitly mapping static code features to verifiable performance evidence. This enables the model to learn the causal logic governing optimization decisions rather than merely imitating sequences. Leveraging this interpretable prior, we design a collaborative inference mechanism where the LLM functions as a strategist, defining optimization intents that dynamically guide the mutation operations of a genetic algorithm. Experimental results on seven datasets demonstrate that ECCO outperforms the LLVM opt -O3 baseline, achieving an average 24.44% reduction in cycles. Our code is available at https://anonymous.4open.science/r/ECCO-Evidence-Driven-Causal-Reasoning-for-Compiler-Optimization-3AD2.

Probabilistic Methods · Everything Else

Wenbin Zhou, Shixiang Zhu

Robust optimization safeguards decisions against uncertainty by optimizing against worst-case scenarios, yet their effectiveness hinges on a prespecified robustness level that is often chosen ad hoc, leading to either insufficient protection or overly conservative and costly solutions. Recent approaches using conformal prediction construct data-driven uncertainty sets with finite-sample coverage guarantees, but they still fix coverage targets a priori and offer little guidance for selecting robustness levels. We propose a new framework that provides distribution-free, finite-sample guarantees on both miscoverage and regret for any family of robust predict-then-optimize policies. Our method constructs valid estimators that trace out the miscoverage--regret Pareto frontier, enabling decision-makers to reliably evaluate and calibrate robustness levels according to their cost--risk preferences. The framework is simple to implement, broadly applicable across classical optimization formulations, and achieves sharper finite-sample performance. This paper offers a principled data-driven methodology for guiding robustness selection and empowers practitioners to balance robustness and conservativeness in high-stakes decision-making.

Deep Learning · Generative Models and Autoencoders

Gabriel Loaiza-Ganem, Kevin Zhang, Wei Cui, Marc Law, Kin Kwan Leung

Conformal prediction (CP) and its extension, conformal risk control (CRC), are established frameworks for quantifying uncertainty in supervised machine learning through formal guarantees. However, recent breakthroughs in artificial intelligence (AI) have been driven by unsupervised generative models, such as large language models (LLMs) and image generators, which are not directly compatible with CP or CRC. In this work we introduce conformal generation (Conf-Gen), a general framework adapting CRC to generative tasks while relaxing its theoretical assumptions. Conf-Gen unifies and generalizes previous attempts to apply CP to LLMs, and extends conformal methodology to entirely new domains. We demonstrate the flexibility of Conf-Gen through some novel applications, including obtaining conformal guarantees on: image generators producing non-memorized images, conversational AI systems having asked enough clarifying questions, and the output of AI agents being correct.

General Machine Learning · Evaluation

Yuanzhe Hu, Xiaopeng Wang, Yuxin Wang, Xiaokun Zhong, Haiquan Lu, Tianyu Pang, Michael Mahoney, Yujun Yan, Pu Ren, Yaoqing Yang

Neural networks (NNs) trained under different hyperparameters can fall into distinct training ``regimes'', with models in the same regime showing homogeneous properties and models across regimes differing qualitatively. In this paper, we analyze multi-regime patterns in scientific machine learning (SciML) models by characterizing these regimes and the transitions between them. We show how different regimes affect trainability and generalization, and we demonstrate that loss-landscape analysis enables regime-based diagnostics to understand, evaluate, and improve SciML model training. Our analysis yields three key insights: (1) compared with computer vision (CV) tasks, SciML models exhibit significantly more pathological loss landscapes; (2) optimization methods are regime-specific -- different optimization strategies help in different regimes, but none is uniformly effective; and (3) SciML models exhibit fine-grained failure modes that challenge conventional interpretations of standard loss-landscape metrics. Using this study, we aim to unify our understanding of seemingly different failure modes across SciML tasks and obtain task-oblivious insights and methodologies for addressing these failures. We validate these findings across widely used SciML models, including physics-informed neural networks (PINNs), Fourier neural operators (FNOs), and Neural Ordinary Differential Equations (NeuralODEs), on benchmarks spanning representative ordinary and partial differential equations.

Social Aspects · Privacy

Aditya Kulkarni, Carlos Soto

In statistical applications it has become increasingly common to encounter data structures that live on non-linear spaces such as manifolds. Classical linear regression, one of the most fundamental methodologies of statistical learning, captures the relationship between an independent variable and a response variable which both are assumed to live in Euclidean space. Thus, geodesic regression emerged as an extension where the response variable lives on a Riemannian manifold. The parameters of geodesic regression, as with linear regression, capture the relationship of sensitive data and hence one should consider the privacy protection practices of said parameters. We consider releasing Differentially Private (DP) parameters of geodesic regression via the K-Norm Gradient (KNG) mechanism for Riemannian manifolds. We derive theoretical bounds for the sensitivity of the parameters showing they are tied to their respective Jacobi fields and hence the curvature of the space. This corroborates, and extends, recent findings of differential privacy for the Fr\'echet mean. We demonstrate the efficacy of our methodology on the sphere, $S_2\subset\mathbb{R}^3$, the space of symmetric positive definite matrices, and Kendall's planar shape space. Our methodology is general to any Riemannian manifold, and thus, it is suitable for data in domains such as medical imaging and computer vision.

Deep Learning · Generative Models and Autoencoders

Ning Lin, Luxi Chen, Huaguan Chen, Jiacheng Cen, Chongxuan Li, Wenbing Huang, Hao Sun

Generating objects with specific symmetries is essential in various real-world scenarios, with the creation of patterns exhibiting planar group symmetries being a representative task. However, adapting existing 2D continuous representations to enforce symmetry remains a significant challenge, as the transformation of non-reflective group elements may disrupt continuity. To overcome this limitation, we propose a novel symmetric continuous representation framework for arbitrary planar groups. Our method transforms any underlying 2D continuous representation into a symmetric one while strictly preserving continuity. We provide the mathematical formulation of this representation, demonstrate its universal approximation capability for symmetric functions, and detail the construction methodology. We validate our approach through three distinct generation tasks: general symmetric pattern design, connectivity-preserving paper-cutting design, and mechanically-constrained geometric stylized patterns. Experimental results confirm that our representation enables precise and effective symmetry control in pattern generation.

Qingyu Yin, Yulun Wu, Zhennan Shen, Sunbowen Lee, Zhilin Wang, Yanshu Li, Chak Tou Leong, Jiale Kang, Jinjin Gu

We systematically evaluate Parameter-Efficient Fine-Tuning (PEFT) methods under the paradigm of Reinforcement Learning with Verifiable Rewards (RLVR). RLVR incentivizes language models to enhance their reasoning capabilities through verifiable feedback; however, while methods like LoRA are commonly used, the optimal PEFT architecture for RLVR remains unidentified. In this work, we conduct the first comprehensive evaluation of over 12 PEFT methodologies across the DeepSeek-R1-Distill families on mathematical reasoning benchmarks. Our empirical results challenge the default adoption of standard LoRA with three main findings. First, we demonstrate that structural variants, such as DoRA, AdaLoRA, and MiSS, consistently outperform LoRA. Second, we uncover a spectral collapse phenomenon in SVD-informed initialization strategies (e.g., PiSSA, MiLoRA), attributing their failure to a fundamental misalignment between principal-component updates and RL optimization. Furthermore, our ablations reveal that extreme parameter reduction (e.g., VeRA, Rank-1) severely bottlenecks reasoning capacity. We further conduct ablation studies and scaling experiments to validate our findings. This work provides a definitive guide for advocating for more exploration for parameter-efficient RL methods.

General Machine Learning · Methodology

Tianrong Chen, Jiatao Gu, David Berthelot, Joshua M Susskind, Shuangfei Zhai

Normalizing Flows (NFs) are a classical family of likelihood based methods that have received revived attention. Recent efforts such as TARFlow have shown that NFs are capable to achieving promising performance on image modeling tasks, making them promising alternatives to other methods such as diffusion models. In this work, we further advance the state of Normalizing Flow generative models by introducing iterative TARFlow (iTARFlow). Unlike diffusion models, iTARFlow maintains a fully end-to-end, likelihood-based objective during training. During sampling, it performs autoregressive generation followed by an iterative denoising procedure inspired by diffusion-style methods. Through extensive experiments, We show that iTARFlow achieves competitive performance across ImageNet resolutions of 64, 128, and 256 pixels, demonstrating its potential as a strong generative model and advances the frontier of Normalizing Flows. In addition, we analyze the characteristic artifacts produced by iTARFlow, offering insights that may shed the light for future improvements.

Applications · Language, Speech and Dialog

Yifan Yang, Hui Wang, Bing Han, Shujie Liu, Jinyu Li, Yong Qin, Xie Chen

Recent advances in text-to-speech (TTS) technology have enabled systems to generate speech that is often indistinguishable from human speech, bringing benefits to accessibility, content creation, and human-computer interaction. However, current evaluation practices are increasingly inadequate for capturing the full range of capabilities, limitations, and societal impacts of modern TTS systems. This position paper introduces the concept of Responsible Evaluation and argues that it is essential and urgent for the next phase of TTS development, structured through three progressive levels: (1) ensuring the faithful and accurate reflection of a model's true capabilities and limitations, with more robust, discriminative, and comprehensive objective and subjective scoring methodologies; (2) enabling comparability, standardization, and transferability through standardized benchmarks, transparent reporting, and transferable evaluation metrics; and (3) assessing and mitigating ethical risks associated with forgery, misuse, privacy violations, and security vulnerabilities. Through this concept, we critically examine current evaluation practices, identify systemic shortcomings, and propose actionable recommendations. We hope this concept will not only foster more reliable and trustworthy TTS technology but also guide its development toward ethically sound and societally beneficial applications.

Social Aspects · Accountability, Transparency, and Interpretability

Raghu Arghal, Fade Chen, Niall Dalton, Evgenii Kortukov, Calum McNamara, Angelos Nalmpantis, Moksh Nirvaan, Gabriele Sarti, Mario Giulianelli

Understanding an agent's goals helps explain and predict its behaviour, yet there is no established methodology for reliably attributing goals to agentic systems. We propose a framework for evaluating goal-directedness that integrates behavioural evaluation with interpretability-based analyses of models' internal representations. As a case study, we examine an LLM agent navigating a 2D grid world toward a goal state. Behaviourally, we evaluate the agent against an optimal policy across varying grid sizes, obstacle densities, and goal structures, finding that performance scales with task difficulty while remaining robust to difficulty-preserving transformations and complex goal structures. We then use probing methods to decode the agent's internal representations of the environment state and its multi-step action plans. We find that the LLM agent non-linearly encodes a coarse spatial map of the environment, preserving approximate task-relevant cues about its position and the goal location; that its actions are broadly consistent with these internal representations; and that reasoning reorganises them, shifting from broader environment structural cues toward information supporting immediate action selection. Our findings support the view that introspective examination is required beyond behavioural evaluations to characterise how agents represent and pursue their objectives.

Probabilistic Methods · Gaussian Processes

Marcus Noack, Mark Risser, HENGRUI LUO, Vardaan Tekriwal, Ronald Pandolfi

Despite a large corpus of recent work on scaling up Gaussian processes, a stubborn trade-off between computational speed, prediction and uncertainty quantification accuracy, and customizability persists. This is because the vast majority of existing methodologies exploit various levels of approximations that lower accuracy and limit the flexibility of kernel and noise-model designs --- an unacceptable drawback at a time when expressive non-stationary kernels are on the rise in many fields. Here, we propose a methodology we term \emph{gp2Scale} that scales exact Gaussian processes to more than 10 million data points without relying on inducing points, kernel interpolation, or neighborhood-based approximations, and instead leveraging the existing capabilities of a GP: its kernel design. Highly flexible, compactly supported, and non-stationary kernels lead to the identification of naturally occurring sparse structure in the covariance matrix, which is then exploited for the calculations of the linear system solution and the log-determinant for training. We demonstrate our method's functionality on several real-world datasets and compare it with state-of-the-art approximation algorithms. Although we show superior approximation performance in many cases, the method's real power lies in its agnosticism toward arbitrary GP customizations --- core kernel design, noise, and mean functions --- and the type of input space, making it optimally suited for modern Gaussian process applications.

Social Aspects · Robustness

Tim Beyer, Sophie Xhonneux, Simon Geisler, Gauthier Gidel, Leo Schwinn, Stephan Günnemann

In this position paper, we argue that current safety alignment research efforts for large language models are hindered by many intertwined sources of noise, such as small datasets, methodological inconsistencies, and unreliable evaluation setups. This can, at times, make it impossible to evaluate and compare attacks and defenses fairly, thereby slowing research progress. We systematically analyze the LLM safety evaluation pipeline, covering dataset curation, optimization strategies for automated red-teaming, response generation, and response evaluation using LLM judges. At each stage, we identify key issues and highlight their practical impact. We also propose a set of guidelines for reducing noise and bias in evaluations of future attack and defense papers. Lastly, we offer an opposing perspective, highlighting practical reasons for existing limitations. We believe that addressing the outlined problems in future research will improve the field’s ability to generate easily comparable results and make measurable progress.