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Deep Learning · Graph Neural Networks

Ya-Wei Eileen Lin, Ron Levie

Canonicalization is a widely used strategy in equivariant machine learning, enforcing symmetry in neural networks by mapping each input to a standard form. Yet, it often introduces discontinuities that can affect stability during training, limit generalization, and complicate universal approximation theorems. In this paper, we address this by introducing *adaptive canonicalization*, a general framework in which the canonicalization depends both on the input and the network. Specifically, we present the adaptive canonicalization based on prior maximization, where the standard form of the input is chosen to maximize the predictive confidence of the network. We prove that this construction yields continuous and symmetry-respecting models that admit universal approximation properties. We propose two applications of our setting: (i) resolving eigenbasis ambiguities in spectral graph neural networks, and (ii) handling rotational symmetries in point clouds. We empirically validate our methods on molecular and protein classification, as well as point cloud classification tasks. Our adaptive canonicalization outperforms the three other common solutions to equivariant machine learning: data augmentation, standard canonicalization, and equivariant architectures.

General Machine Learning · Causality

Fan Li, Zixuan Liu, Yi Zhao, Qi Tan, Jinyang Li, Ke Xu, Shuihai Hu, Jingbin Zhou, TAN Kun

Learning causal structures from temporal data is fundamental to many practical tasks, such as physical laws discovery and root causes localization. Real-world systems often exhibit long-term carry-over effects, where the value of a variable at the current time can be influenced by distant past values of other variables. These effects, due to their large temporal span, are challenging to observe or model. Existing methods typically consider finite lag orders, which may lead to confounding from early historical data. Moreover, incorporating historical information often results in computational scalability issues. In this paper, we establish a theoretical framework for causal discovery in complex temporal scenarios where observational data exhibit long-term carry-over effect, and propose LEVER, a theoretically guaranteed novel causal discovery method for incomplete temporal data. Specifically, based on the \textit{Limited-history Causal Identifiability Theorem}, we refine the variable values at each time step with data at a few preceding steps to mitigate long-term historical influences. Furthermore, we establish a theoretical connection between QR decomposition and causal discovery, and design an efficient reinforcement learning process to determine the optimal variable ordering. Finally, we recover the causal structure from the R matrix. We evaluate LEVER on both synthetic and real-world datasets. In static cases, LEVER reduces SHD by 17.29\%-40.00\% and improves the F1-score by 5.30\%-8.79\% compared to the best baseline. In temporal cases, it achieves a 64\% reduction in SHD and a 45\% improvement in F1-score. Additionally, LEVER demonstrates significantly higher precision on real-world data compared to baseline methods.

Applications · Everything Else

Chang Liu, Chuqiao Kuang, Tianyi Zhuang, Yuxin Cheng, Huichi Zhou, Xiaoguang Li, Lifeng Shang

Recent advancements in LLM-based information-seeking agents have achieved record-breaking performance on established benchmarks. However, these agents remain heavily reliant on search-engine-indexed knowledge, leaving a critical blind spot: Unindexed Information Seeking (UIS). This paper identifies and explores the UIS problem, where vital information is not captured by search engine crawlers, such as overlooked content, dynamic webpages, and embedded files. Despite its significance, UIS remains an underexplored challenge. To address this gap, we introduce UIS-QA, the first dedicated UIS benchmark, comprising 110 expert-annotated QA pairs. Notably, even state-of-the-art agents experience a drastic performance drop on UIS-QA (e.g., from 70.90 on GAIA and 46.70 on BrowseComp-zh to 24.55 on UIS-QA), underscoring the severity of the problem. To mitigate this, we propose UIS-Digger, a novel multi-agent framework that incorporates dual-mode browsing and enables simultaneous webpage searching and file parsing. With a relatively small $\sim$30B-parameter backbone LLM optimized using SFT and RFT training strategies, UIS-Digger sets a strong baseline at 26.36\%, outperforming systems integrating sophisticated LLMs such as O3 and GPT-4.1. This demonstrates the importance of proactive interaction with unindexed sources for effective and comprehensive information-seeking. Our work not only uncovers a fundamental limitation in current agent evaluation paradigms but also provides the first toolkit for advancing UIS research, defining a new and promising direction for robust information-seeking systems.

Reinforcement Learning · Multi-agent

Andi Nika, Jonathan Nöther, Adish Singla, Goran Radanovic

We consider a Multi-agent Reinforcement Learning (MARL) setting, in which an attacker can arbitrarily corrupt any subset of up to $k$ out of $n$ agents at deployment. Our goal is to design agents that are robust against such an attack, by accounting for the presence of corrupted agents at test time. To that end, we introduce a novel solution concept, the Adversarially Robust Nash Equilibrium (ARNEQ), and provide theoretical proof of its existence in general-sum Markov games. Furthermore, we introduce a proof-of-concept model-based approach to computing it and theoretically prove its convergence under standard assumptions. We also present a practical approach called Adversarially Robust Training (ART), an independent learning algorithm based on stochastic gradient descent ascent. Our experiments in both cooperative and mixed cooperative-competitive environments demonstrate ART's effectiveness and practical value in enhancing MARL resilience against adversarial behavior.

Deep Learning · Attention Mechanisms

Aayush Mishra, Daniel Khashabi, Anqi Liu

Supervised Fine-Tuning (SFT) is used to specialize model behavior by training weights to produce intended target responses for queries. In contrast, In-Context Learning (ICL) adapts models during inference with instructions or demonstrations in the prompt. ICL can offer better generalizability and more calibrated responses compared to SFT in data scarce settings, at the cost of more inference compute. In this work, we ask the question: \textit{Can ICL's internal computations be used to improve the qualities of SFT?} We first show that ICL and SFT produce distinct activation patterns, indicating that the two methods achieve adaptation through different functional mechanisms. Motivated by this observation and to use ICL's rich functionality, we introduce \textbf{I}CL \textbf{A}ctivation \textbf{A}lignment (\act), a self-distillation technique which aims to replicate ICL's activation patterns in SFT models and incentivizes ICL-like internal reasoning. Performing \act as a priming step before SFT significantly improves the accuracy and calibration of model outputs, as shown by our extensive empirical results on 12 popular benchmarks and two model families. This finding is not only practically useful, but also offers a conceptual window into the inner mechanics of model adaptation.

General Machine Learning · Probabilistic Methods

Arnaud Vadeboncoeur, Gregory Duthé, Mark Girolami, Eleni Chatzi

Uncertainty Quantification (UQ) is paramount for inference in engineering. A common inference task is to recover full-field information of physical systems from a small number of noisy observations, a usually highly ill-posed problem. Sharing information from multiple distinct yet related physical systems can alleviate this ill-posedness. Critically, engineering systems often have complicated variable geometries prohibiting the use of standard multi-system Bayesian UQ. In this work, we introduce Geometric Autoencoders for Bayesian Inversion (GABI), a framework for learning geometry-aware generative models of physical responses that serve as highly informative geometry-conditioned priors for Bayesian inversion. Following a ''learn first, observe later'' paradigm, GABI distills information from large datasets of systems with varying geometries, without requiring knowledge of governing PDEs, boundary conditions, or observation processes, into a rich latent prior. At inference time, this prior is seamlessly combined with the likelihood of a specific observation process, yielding a geometry-adapted posterior distribution. Our proposed framework is architecture-agnostic. A creative use of Approximate Bayesian Computation (ABC) sampling yields an efficient implementation that utilizes modern GPU hardware. We test our method on: steady-state heat over rectangular domains; Reynolds-Averaged Navier-Stokes (RANS) flow around airfoils; Helmholtz resonance and source localization on 3D car bodies; RANS airflow over terrain. We find: the predictive accuracy to be comparable to deterministic supervised learning approaches in the restricted setting where supervised learning is applicable; UQ to be well calibrated and robust on challenging problems with complex geometries.

Deep Learning · Theory

Francesco DAmico, Dario Bocchi, Matteo Negri

Scaling laws in deep learning -- empirical power-law relationships linking model performance to resource growth -- have emerged as simple yet striking regularities across architectures, datasets, and tasks. These laws are particularly impactful in guiding the design of state-of-the-art models, since they quantify the benefits of increasing data or model size, and hint at the foundations of interpretability in machine learning. However, most studies focus on asymptotic behavior at the end of training. In this work, we describe a richer picture by analyzing the entire training dynamics: we identify two novel \textit{dynamical} scaling laws that govern how performance evolves as function of different norm-based complexity measures. Combined, our new laws recover the well-known scaling for test error at convergence. Our findings are consistent across CNNs, ResNets, and Vision Transformers trained on MNIST, CIFAR-10 and CIFAR-100. Furthermore, we provide analytical support using a single-layer perceptron trained with logistic loss, where we derive the new dynamical scaling laws, and we explain them through the implicit bias induced by gradient-based training.

Brandon Annesi, Dario Bocchi, Chiara Cammarota

High-dimensional non-convex loss landscapes play a central role in the theory of Machine Learning. Gaining insight into how these landscapes interact with gradient-based optimization methods, even in relatively simple models, can shed light on this enigmatic feature of neural networks. In this work, we will focus on a prototypical simple learning problem, which generalizes the Phase Retrieval inference problem by allowing the exploration of overparametrized settings. Using techniques from field theory, we analyze the spectrum of the Hessian at initialization and identify a Baik–Ben Arous–Péché (BBP) transition in the amount of data that separates regimes where the initialization is informative or uninformative about a planted signal of a teacher-student setup. Crucially, we demonstrate how overparameterization can "bend" the loss landscape, shifting the transition point, even reaching the information-theoretic weak-recovery threshold in the large overparameterization limit, while also altering its qualitative nature. We distinguish between continuous and discontinuous BBP transitions and support our analytical predictions with simulations, examining how they compare to the finite-N behavior. In the case of discontinuous BBP transitions strong finite-N corrections allow the retrieval of information at a signal-to-noise ratio (SNR) smaller than the predicted BBP transition. In these cases we provide estimates for a new lower SNR threshold that marks the point at which initialization becomes entirely uninformative.

Theory · Learning Theory

Brandon Annesi, Dario Bocchi, Chiara Cammarota

High-dimensional non-convex loss landscapes play a central role in the theory of Machine Learning. Gaining insight into how these landscapes interact with gradient-based optimization methods, even in relatively simple models, can shed light on this enigmatic feature of neural networks. In this work, we will focus on a prototypical simple learning problem, which generalizes the Phase Retrieval inference problem by allowing the exploration of overparametrized settings. Using techniques from field theory, we analyze the spectrum of the Hessian at initialization and identify a Baik–Ben Arous–Péché (BBP) transition in the amount of data that separates regimes where the initialization is informative or uninformative about a planted signal of a teacher-student setup. Crucially, we demonstrate how overparameterization can "bend" the loss landscape, shifting the transition point, even reaching the information-theoretic weak-recovery threshold in the large overparameterization limit, while also altering its qualitative nature. We distinguish between continuous and discontinuous BBP transitions and support our analytical predictions with simulations, examining how they compare to the finite-N behavior. In the case of discontinuous BBP transitions strong finite-N corrections allow the retrieval of information at a signal-to-noise ratio (SNR) smaller than the predicted BBP transition. In these cases we provide estimates for a new lower SNR threshold that marks the point at which initialization becomes entirely uninformative.

Mateusz Michalkiewicz, Anekha Sokhal, Tadeusz Michalkiewicz, Piotr Pawlikowski, Mahsa Baktashmotlagh, Varun Jampani, Guha Balakrishnan

Monocular 3D reconstruction methods and vision-language models (VLMs) demonstrate impressive results on standard benchmarks, yet their true understanding of geometric properties remains unclear. We introduce GIQ, a comprehensive benchmark specifically designed to evaluate the geometric reasoning capabilities of vision and vision-language foundation models. GIQ comprises synthetic and real-world images and corresponding 3D meshes of diverse polyhedra—including Platonic, Archimedean, Johnson, and Catalan solids, as well as stellations and compound shapes—covering varying levels of complexity and symmetry. Through systematic experiments involving monocular 3D reconstruction, 3D symmetry detection, mental rotation tests, and zero-shot shape classification tasks, we reveal significant shortcomings in current models. State-of-the-art reconstruction algorithms trained on extensive 3D datasets struggle to reconstruct even basic geometric forms accurately. While foundation models effectively detect specific 3D symmetry elements via non-linear probing, they falter significantly in tasks requiring detailed geometric differentiation, such as mental rotation. Moreover, advanced vision-language assistants exhibit remarkably low accuracy on complex polyhedra, systematically misinterpreting basic properties like face geometry, convexity, and compound structures. GIQ is publicly available at toomanymatts.github.io/giq-benchmark/, providing a structured platform to benchmark critical gaps in geometric intelligence and facilitate future progress in robust, geometry-aware representation learning.

Computer Vision · Image and Video Generation

Hang Zhou, Xinxin Zuo, Sen Wang, Li Cheng

Despite strong single-turn performance, diffusion-based image compositing often struggles to preserve coherent spatial relations in pairwise or sequential edits, where subsequent insertions may overwrite previously generated content and disrupt physical consistency. We introduce PICS, a self-supervised composition-by-decomposition paradigm that composes objects in parallel while explicitly modeling the compositional interactions among (fully-/partially-)visible objects and background. At its core, an Interaction Transformer employs mask-guided Mixture-of-Experts to route background, exclusive, and overlap regions to dedicated experts, with an adaptive $\alpha$-blending strategy that infers a compatibility-aware fusion of overlapping objects while preserving boundary fidelity. To further enhance robustness to geometric variations, we incorporate geometry-aware augmentations covering both out-of-plane and in-plane pose changes of objects. Our method delivers superior pairwise compositing quality and substantially improved stability, with extensive evaluations across virtual try-on, indoor, and street scene settings showing consistent gains over state-of-the-art baselines. Code and data are available at https://github.com/RyanHangZhou/PICS

Optimization · Learning for Optimization

Shuyang Jiang, Yusheng Liao, Ya Zhang, Yanfeng Wang, Yu Wang

While large reasoning models trained with critic-free reinforcement learning and verifiable rewards (RLVR) represent the state-of-the-art, their practical utility is hampered by ``overthinking'', a critical issue where models generate excessively long reasoning paths without any performance benefit. Existing solutions that penalize length often fail, inducing performance degradation due to a fundamental misalignment between trajectory-level rewards and token-level optimization. In this work, we introduce a novel framework, DECS, built on our theoretical discovery of two previously unaddressed flaws in current length rewards: (1) the erroneous penalization of essential exploratory tokens and (2) the inadvertent rewarding of partial redundancy. Our framework's innovations include (i) a first-of-its-kind decoupled token-level reward mechanism that surgically distinguishes and penalizes redundant tokens, and (ii) a novel curriculum batch scheduling strategy to master the efficiency-efficacy equilibrium. Experimental results show DECS can achieve a dramatic reduction in reasoning tokens by over 50\% across seven benchmarks while simultaneously maintaining or even improving performance. It demonstrates conclusively that substantial gains in reasoning efficiency can be achieved without compromising a model's underlying reasoning power. Code is available at \url{https://github.com/pixas/DECS}.

Applications · Language, Speech and Dialog

Yijia Shao, Vinay Samuel, Yucheng Jiang, John Yang, Diyi Yang

While the advancement of large language models has spurred the development of AI agents to automate tasks, numerous use cases inherently require agents to collaborate with humans due to humans' latent preferences, domain expertise, or the need for control. To facilitate the study of human-agent collaboration, we introduce Collaborative Gym (Co-Gym), an open framework for developing and evaluating collaborative agents that engage in bidirectional communication with humans while interacting with task environments. We describe how the framework enables the implementation of new task environments and coordination between humans and agents through a flexible, non-turn-taking interaction paradigm, along with an evaluation suite that assesses both collaboration outcomes and processes. Our framework provides both a simulated condition with a reliable user simulator and a real-world condition with an interactive web application. Initial benchmark experiments across three representative tasks-creating travel plans, writing related work sections, and analyzing tabular data-demonstrate the benefits of human-agent collaboration: The best-performing collaborative agents consistently outperform their fully autonomous counterparts in task performance, achieving win rates of 86% in Travel Planning, 74% in Tabular Analysis, and 66% in Related Work when evaluated by real users. Despite these improvements, our evaluation reveals persistent limitations in current language models and agents, with communication and situational awareness failures observed in 65% and 40% of cases in the real condition, respectively. Released under the permissive MIT license, Co-Gym supports the addition of new task environments and can be used to develop collaborative agent applications, while its evaluation suite enables assessment and improvement of collaborative agents.

Applications · Language, Speech and Dialog

Nan Huo, Xiaohan Xu, Jinyang Li, Per Jacobsson, Shipei Lin, Bowen Qin, Binyuan Hui, Xiaolong Li, Ge Qu, Shuzheng Si 等

Large language models (LLMs) have demonstrated remarkable performance on single-turn text-to-SQL tasks, but real-world database applications predominantly require multi-turn interactions to handle ambiguous queries, execution errors, and evolving user requirements. Existing multi-turn benchmarks fall short of capturing this complexity, either by treating conversation histories as static context or by limiting evaluation to narrow, read-only (SELECT-ONLY) operations, thereby potentially failing to reflect the challenges encountered in production-grade database assistant. In this work, we introduce BIRD-INTERACT, a benchmark that restores this missing realism through: (1) a **comprehensive interaction environment** that couples each database with a hierarchical knowledge base, metadata files, and a function-driven user simulator, enabling models to solicit clarifications, retrieve knowledge, and recover from execution errors without human supervision; (2) two **evaluation settings** reflecting real-world interaction settings which contain a pre-defined conversational protocol (c-Interact) and a more open-ended agentic setting (a-Interact) in which the model autonomously decides when to query the user simulator or explore the DB environment; (3) a **challenging task suite** that covers the full CRUD spectrum for both business-intelligence and operational use cases, guarded by executable test cases. Each task features ambiguous and follow-up sub-tasks, requiring LLMs to engage in dynamic interaction. The suite is organized into two sets: a full set (BIRD-INTERACT-FULL) of 600 tasks which unfold up to 11,796 dynamic interactions for a comprehensive overview of performance and a lite set (BIRD-INTERACT-LITE) of 300 tasks, with simplified databases for detailed behavioral analysis of interactions, and fast development of methods. Our empirical results highlight the difficulty of BIRD-INTERACT: the most recent flagship model GPT-5 completes only 8.67% of tasks in the c-Interact setting and 17.00% in the a-Interact setting on the full task suite. Further analysis via memory grafting and Interaction Test-time Scaling (ITS) validates the importance of effective interaction for achieving success in dynamic text-to-SQL tasks.

Applications · Language, Speech and Dialog

Yunze Wu, Dayuan Fu, Weiye Si, Zhen Huang, Mohan Jiang, Keyu Li, Shijie Xia, Jie Sun, Tianze Xu, Yang Xiao 等

AI agents could accelerate scientific discovery by automating hypothesis formation, experiment design, coding, execution, and analysis, yet existing benchmarks probe narrow skills in simplified settings. To address this gap, we introduce InnovatorBench, a benchmark-platform pair for realistic, end-to-end assessment of agents performing Large Language Model (LLM) research. It comprises 20 tasks spanning Data Construction, Filtering, Augmentation, Loss Design, Reward Design, and Scaffold Construction, which require runnable artifacts and assessment of correctness, performance, output quality, and uncertainty. To support agent operation, we develop ResearchGym, a research environment offering rich action spaces, distributed and long-horizon execution, asynchronous monitoring, and snapshot saving. We also implement a lightweight agent that couples explicit reasoning with executable planning using frontier models such as Claude-4, GPT-5, GLM-4.5, and Kimi-K2. Our experiments demonstrate that while frontier models show promise in code-driven research tasks, they struggle with fragile algorithm-related tasks and long-horizon decision making, such as impatience, poor resource management, and overreliance on template-based reasoning. Furthermore, agents require over 11 hours to achieve their best performance on InnovatorBench, underscoring the benchmark's difficulty and showing the potential of InnovatorBench to be the next generation of code-based research benchmark.

Computer Vision · Vision Models & Multimodal

Yupeng Xie, Zhiyang Zhang, Yifan Wu, Sirong Lu, Jiayi Zhang, Zhaoyang Yu, Jinlin Wang, Sirui Hong, Bang Liu, Chenglin Wu 等

Visualization, a domain-specific yet widely used form of imagery, is an effective way to turn complex datasets into intuitive insights, and its value depends on whether data are faithfully represented, clearly communicated, and aesthetically designed. However, evaluating visualization quality is challenging: unlike natural images, it requires simultaneous judgment across data encoding accuracy, information expressiveness, and visual aesthetics. Although multimodal large language models (MLLMs) have shown promising performance in aesthetic assessment of natural images, no systematic benchmark exists for measuring their capabilities in evaluating visualizations. To address this, we propose VisJudge-Bench, the first comprehensive benchmark for evaluating MLLMs' performance in assessing visualization aesthetics and quality. It contains 3,090 expert-annotated samples from real-world scenarios, covering single visualizations, multiple visualizations, and dashboards across 32 chart types. Systematic testing on this benchmark reveals that even the most advanced MLLMs (such as GPT-5) still exhibit significant gaps compared to human experts in judgment, with a Mean Absolute Error (MAE) of 0.553 and a correlation with human ratings of only 0.428. To address this issue, we propose VisJudge, a model specifically designed for visualization aesthetics and quality assessment. Experimental results demonstrate that VisJudge significantly narrows the gap with human judgment, reducing the MAE to 0.421 (a 23.9% reduction) and increasing the consistency with human experts to 0.687 (a 60.5% improvement) compared to GPT-5. The benchmark is available at https://github.com/HKUSTDial/VisJudgeBench.

Applications · Neuroscience, Cognitive Science

Pembe Gizem Özdil, Chuanfang Ning, Jasper Phelps, Sibo Wang-Chen, Guy Elisha, Auke Ijspeert, Pavan Ramdya

Computational models are critical for advancing our understanding of how neural, biomechanical, and physical systems interact to orchestrate animal behavior. Despite the availability of near-complete reconstructions of the Drosophila melanogaster central nervous system, musculature, and exoskeleton, anatomically and physically grounded models of fly leg muscles are still missing. Such models provide an indispensable bridge between motor neuron activity and joint movements. Here, we introduce the first 3D, data-driven musculoskeletal model of Drosophila legs, implemented in both OpenSim and MuJoCo simulation environments. Our model incorporates a Hill-type muscle representation based on high-resolution X-ray scans from multiple fixed specimens. We present a pipeline for constructing muscle models from morphological imaging data and for optimizing unknown muscle parameters specific to the fly. We then combine our musculoskeletal models with detailed 3D pose estimation data from behaving flies to achieve muscle-actuated behavioral replay in OpenSim. Simulations of muscle activity across diverse walking and grooming behaviors predict coordinated muscle synergies that can be tested experimentally. Furthermore, by training imitation learning policies in MuJoCo, we examine the effect of different passive joint properties on learning speed and find that damping and stiffness facilitate learning. Overall, our model enables the investigation of motor control in an experimentally tractable model organism, providing insight into how biomechanics contributes to the generation of complex limb movements. Moreover, it can be used to control embodied artificial agents to generate naturalistic and compliant locomotion in simulated environments.

Reinforcement Learning · Batch/Offline

Jongseong Chae, Jongeui Park, Yongjae Shin, Gyeongmin Kim, Seungyul Han, Youngchul Sung

The dataset distributions in offline reinforcement learning (RL) often exhibit complex and multi-modal distributions, necessitating expressive policies to capture such distributions beyond widely-used Gaussian policies. To handle such complex and multi-modal datasets, in this paper, we propose Flow Actor-Critic, a new actor-critic method for offline RL, based on recent flow policies. The proposed method not only uses the flow model for actor as in previous flow policies but also exploits the expressive flow model for conservative critic acquisition to prevent Q-value explosion in out-of-data regions. To this end, we propose a new form of critic regularizer based on the flow behavior proxy model obtained as a byproduct of flow-based actor design. Leveraging the flow model in this joint way, we achieve new state-of-the-art performance for test datasets of offline RL including the D4RL and recent OGBench benchmarks.

Applications · Everything Else

Zhiyu Mou, Yiqin Lv, Miao Xu, Qi Wang, Yixiu Mao, Jinghao Chen, Qichen Ye, Chao Li, Rongquan Bai, Chuan Yu 等

Auto-bidding is a critical tool for advertisers to improve advertising performance. Recent progress has demonstrated that AI-Generated Bidding (AIGB), which learns a conditional generative planner from offline data, achieves superior performance compared to typical offline reinforcement learning (RL)-based auto-bidding methods. However, existing AIGB methods still face a performance bottleneck due to their inherent inability to explore beyond the static dataset with feedback. To address this, we propose AIGB-Pearl (Planning with EvaluAtor via RL), a novel method that integrates generative planning and policy optimization. The core of AIGB-Pearl lies in constructing a trajectory evaluator to assess the quality of generated scores and designing a provably sound KL-Lipschitz-constrained score-maximization scheme to ensure safe and efficient exploration beyond the offline dataset. A practical algorithm that incorporates the synchronous coupling technique is further developed to ensure the model regularity required by the proposed scheme. Extensive experiments on both simulated and real-world advertising systems demonstrate the state-of-the-art performance of our approach.

Deep Learning · Generative Models and Autoencoders

Jatan Shrestha, Santeri Heiskanen, Kari Hepola, Severi Rissanen, Pekka Jääskeläinen, Joni Pajarinen

Multi-objective optimization (MOO) arises in many real-world applications where trade-offs between competing objectives must be carefully balanced. In the offline setting, where only a static dataset is available, the main challenge is generalizing beyond observed data. We introduce Pareto-Conditioned Diffusion (PCD), a novel framework that formulates offline MOO as a conditional sampling problem. By conditioning directly on desired trade-offs, PCD avoids the need for explicit surrogate models. To effectively explore the Pareto front, PCD employs a reweighting strategy that focuses on high-performing samples and a reference-direction mechanism to guide sampling towards novel, promising regions beyond the training data. Experiments on standard offline MOO benchmarks show that PCD achieves highly competitive performance and, importantly, demonstrates greater consistency across diverse tasks than existing offline MOO approaches.