arXiv subjects

Samuel Kaski

Publications and source records attributed to Samuel Kaski.

At least 19 recordsLinked to original sources

arXiv2026

An Axiomatic Framework for Reinforcement Learning in Open Multi-Agent Systems

Open multi-agent systems, where only a subset of agents are controllable, are central to real-world domains such as smart grids, yet lack a principled foundation for reinforcement learning algorithm design. We study this setting through n-agent ad hoc teamwork (NAHT), a recent framework for learning in open multi-agent environments. We propose an axiomatic framework that derives value function learning from the Shapley axioms (Efficiency, Symmetry and Linearity), treating them as structural constraints rather than heuristic design choices. This formulation builds on a novel NAHT decomposition, which characterises the fundamental difference between open and fully controllable multi-agent systems, and establishes a cooperative game-theoretic foundation for learning. We further show that enforcing these axioms on learning individual value functions recovers the Shapley value for Dec-POMDPs, providing a principled bridge between reinforcement learning and classical cooperative game theory. Building on this framework, we introduce Shapley Machines and Banzhaf Machines, two generic algorithmic templates that can be instantiated with standard reinforcement learning methods. When applied to strong base algorithms such as IPPO and POAM, our methods consistently improve learning efficiency and generalisation to unseen agent types and conventions across NAHT benchmark tasks. The code of experiments is published on https://github.com/hsvgbkhgbv/axiomatic-rl-naht.

cs.LG↗

arXiv2026

Shift-aware score transport for privacy auditing without retraining

Privacy auditing empirically assesses privacy leakage by using membership inference attacks to establish lower bounds on privacy loss. We consider an observational auditing setting in which the auditor cannot insert canaries, control data inclusion, or retrain the target model, and must instead rely on fixed sets of known members and non-members. This setting is relevant for large deployed models or when retraining is restricted by computational or access constraints. In this case, non-members available for auditing may differ in distribution from the training data, causing membership-inference scores to be skewed due to the distribution shift. We address this problem by estimating the counterfactual in-distribution non-member score distribution using the available out-of-distribution (OOD) non-members. Our proposed method learns the relationship between data representations and membership-inference scores from OOD non-members and transports it to the target covariate distribution. Because this transport may become unreliable under extrapolation or imperfect conditional invariance, we further introduce a conservative correction calibrated directly to the nominal transported privacy level. We construct controlled calibration tasks from the available non-member data to estimate how representation-space displacement inflates the audit, and use this estimate to correct the transport-induced audit error. Across multiple datasets with distribution shifts, our method yields substantially more stable privacy estimates while retaining tighter lower bounds than baselines.

cs.LG↗

arXiv2026

Robust Experimental Design via Generalised Bayesian Inference

Bayesian optimal experimental design is a principled framework for conducting experiments that leverages Bayesian inference to quantify how much information one can expect to gain from selecting a certain design. However, accurate Bayesian inference relies on the assumption that one's statistical model of the data-generating process is correctly specified. If this assumption is violated, Bayesian methods can lead to poor inference and estimates of information gain. Generalised Bayesian (or Gibbs) inference is a more robust probabilistic inference framework that replaces the likelihood in the Bayesian update by a suitable loss function. In this work, we present Generalised Bayesian Optimal Experimental Design (GBOED), an extension of generalised Bayesian inference to the experimental design setting which achieves robustness in both design and inference. Using a generalisation of Bayesian decision theory, we derive a new acquisition function, the Gibbs expected information gain. Our empirical results demonstrate that GBOED can enhance robustness to outliers and incorrect assumptions about the outcome noise distribution.

stat.ML↗

arXiv2026

In-Context Batch Black-box Optimization via Flow Matching

Batch black-box optimization is important for expensive systems where many candidates can be evaluated in parallel, yet only a few rounds of evaluation are affordable. In this regime, effective batch construction must identify multiple promising regions while avoiding redundant evaluations, and conventional Bayesian optimization can require increasingly difficult batch-selection procedures as the batch size grows. We introduce Flow Matching for Thompson-Sampling Refinement (FMTR), an amortized approach that learns offline a continuous, history-conditioned proposal distribution from which variable-size batches can be sampled. FMTR is trained offline by conditional flow matching on Thompson-sampling argmaxes refined toward high-value regions via a horizon-dependent Langevin pushforward map, adapting the exploration-exploitation tradeoff over the optimization horizon. At test time, the model parameters remain fixed and batch generation requires neither task-specific surrogate refitting nor numerical acquisition optimization. FMTR achieves strong performance against batch BO and in-context baselines on synthetic and real-world benchmarks, while substantially reducing the computational cost of batch selection.

cs.LG↗

arXiv2026

The Hidden Ratio in Adam: Stable Structure, Compression, and Sign Dynamics

Adam is the default optimizer for training modern deep neural networks, yet its adaptive behavior remains poorly understood due to the complex interaction between its first- and second-moment exponential moving averages (EMAs). We study Adam in the tied-$β$ regime, where the two EMA decay rates are equal, and show that its adaptive dynamics can be expressed through a transformed ratio with approximately scale-stable behavior. Empirically, this transformed ratio exhibits a stable, heavy-tailed distribution across tasks, model scales, and training stages, in contrast to the variability of raw moment magnitudes. This empirical stability has both practical and conceptual consequences. First, we derive a recurrence for the transformed ratio, yielding a reparameterization of Adam that replaces the second moment with a compressible state. Leveraging its stable distribution, we show that a fixed 4-bit codebook is sufficient in our experiments to store this state without auxiliary scaling, achieving performance competitive with full-precision Adam. Second, the transformed ratio view clarifies Adam's connection to sign-based methods: Adam reduces to sign-based momentum modulated by the transformed ratio, and replacing it with a constant recovers Signum as a limiting case. This perspective further provides a simple rule for transferring learning rates between the two methods. Together, these results suggest that tied-$β$ Adam admits a simple and approximately stable ratio structure underlying its adaptive behavior and demonstrate its utility for both analysis and efficient implementation.

cs.LG↗

arXiv2026

Memento No More: Coaching AI Agents to Master Multiple Tasks via Hints Internalization

As the general capabilities of artificial intelligence (AI) agents continue to evolve, their ability to learn to master multiple complex tasks through experience remains a key challenge. Current LLM agents, particularly those based on proprietary language models, typically rely on prompts to incorporate knowledge about the target tasks. This approach does not allow the agent to internalize this information and instead relies on ever-expanding prompts to sustain its functionality in diverse scenarios. This resembles a system of notes used by a person affected by anterograde amnesia, the inability to form new memories. In this paper, we propose a novel method to train AI agents to incorporate knowledge and skills for multiple tasks without the need for either cumbersome note systems or prior high-quality demonstration data. Our approach employs an iterative process where the agent collects new experiences, receives corrective feedback from humans in the form of hints, and integrates this feedback into its weights via a context distillation training procedure. We demonstrate the efficacy of our approach by implementing it in a Llama-3-based agent that, after only a few rounds of feedback, outperforms advanced models GPT-4o and DeepSeek-V3 in tasksets requiring correct sequencing of information retrieval, tool use, and question answering.

cs.LG↗

arXiv2026

Propose to Learn, Learn to Propose: Evaluability-Aware Assistance under Bounded Rationality

AI assistants often collaborate by proposing candidate edits, plans, or designs that users evaluate before adoption. Existing assistance methods focus on proposal quality or user-goal inference, often assuming that the user can reliably evaluate any proposal, which can fail in practice because of bounded rationality. We study evaluability-aware proposal planning, where proposals serve both as task interventions and as probes for learning latent preferences and evaluation constraints, where the resulting belief updates then guide later proposals. We formalise this setting as ProSE, a hidden-parameter sequential assistance problem, and instantiate it with a KL-regularised bounded-rational binary response model in which acceptance trades off value gain against a distance-dependent evaluability penalty. Analysing the planning consequence of this likelihood reveals that likely accepted proposals and informative probes need not coincide, which explains why planners that only pursue acceptance systematically underperform. We operationalise ProSE with \textsc{ProSE-Plan}, a depth-2 Bayes-adaptive planner that scores proposals by possible responses and response-induced posterior beliefs. In controlled graph simulations, \textsc{ProSE-Plan} improves over evaluability-unaware and myopic baselines when evaluation cost is the bottleneck, and a probe-commit ablation confirms that our approach selects informative proposals that simpler methods miss. Our results thus identify user evaluability as a planning-relevant dimension of AI assistance, complementary to generation quality and preference inference.

cs.AI↗

arXiv2026

Active Preference Learning over Latent Preference Archetypes for Many-Objective Bayesian Optimization

Preference-based many-objective Bayesian optimization typically assumes that all pairwise comparisons arise from a single latent utility function, despite real decision makers often exhibiting multiple latent preference archetypes across contexts. We propose an active preference learning framework for many-objective Bayesian optimization that infers latent preference archetypes from pairwise comparisons, enabling both the identification of the active trade-off strategy and the refinement of its associated preferences. Our framework represents preferences as a Dirichlet-process mixture of latent archetypes and introduces mixture-aware information-theoretic query strategies that separately target archetype identification and within-archetype refinement through a hybrid acquisition policy. Experiments on synthetic benchmarks and real-world chemical process design case-study consistently outperforms state-of-the-art preference-based Bayesian optimization methods while recovering interpretable latent preference structure beyond conventional single-utility models. The proposed mixture-aware diagnostics further quantify archetype recovery and preference calibration, providing insights that are not captured by optimization performance alone.

cs.LG↗

arXiv2026

Decafs: Disentangled Conditional adversarial Flows

Flow-based models have established state-of-the-art performance in generative modeling across domains, but are hard to interpret due to their complex latent embeddings. In particular, the entanglement of generative factors in the latent space hinders controlled generation. We circumvent this issue by appealing to a novel conditional generator based on Lie groups that disentangles an alternative latent space, which is aligned closely with the latent flow space using an adversarial loss. Our approach facilitates interpretable conditional generation while obviating the need to expand the dimensionality of the flow space (owing to its invertibility requirements). The proposed model demonstrates strong performance across conditional image (including, outperforming StyleGAN on MNIST, dSprites) and molecule (using standard QM9, ZINC and MOSES) generation tasks

cs.LG↗

arXiv2026

Robust Bayesian Decision Making under Adversarial Uncertainty

Scientific experiments are often designed to maximize information gain, yet in many applications the primary objective is to support reliable downstream decision-making. Existing decision-aware experimental design and active learning methods typically assume well-specified outcome models and implicitly rely on the stability of the optimal decision under real-world perturbations. In practice, however, experimental outcomes are frequently influenced by hidden or weakly modeled effects, which can substantially alter decision optimality and lead to misleading conclusions. We study sequential adversarially robust decision-aware experimental design, where data acquisition has to take into account information gain against plausible worst-case unexpected effects, modeled here as variation in adversarial variables. Building on Bayesian decision theory, we formalize an adversarially robust optimal decision under this setting and derive a principled Bayesian experimental design criterion. The criterion explicitly targets decision stability rather than nominal optimality. Experiments on synthetic and real-world scientific datasets show that conventional decision-aware design can converge rapidly to high confidence yet fragile decisions, while our robustness-aware approach yields decisions that are significantly more stable and reliable under adversarial variation.

cs.LG↗

arXiv2026

Human-Machine Collaboration on Generative Meta-Learning: Model and Algorithm

Generalizing machine learning models to environments that differ from their training distribution remains a critical hurdle, particularly when data from the target domain is entirely or partially unavailable. We propose Generative Meta-Learning with Human Feedback (GMHF), a novel framework that bridges this domain gap by leveraging expert intuition to guide data synthesis. Grounded in a theoretical analysis of generalization error, we derive bounds demonstrating that aligning the distribution of generated data with human beliefs regarding the target physics significantly mitigates risk. GMHF operationalizes this insight by employing a Conditional Neural ODE (cNODE) as a generative digital twin, coupled with a Reinforcement Learning (RL) agent. The agent iteratively refines the latent physical parameters of the generated trajectories based on feedback, effectively steering the meta-learner toward the unobserved target distribution. Empirical validation on a nonlinear Duffing oscillator shows that GMHF substantially reduces deployment loss as expert reliability increases, and that the divergence between generated and target data falls under reliable feedback, directly corroborating the divergence-minimisation mechanism predicted by our theory. Further experiments on a non-dynamical probabilistic model confirm that the framework extends beyond ODE-governed systems, establishing human-AI collaboration as a rigorous catalyst for robust generalisation under distribution shift.

cs.LG↗

arXiv2026

Efficient Adaptive Data Acquisition via Pretrained Belief Representations

Learning effective policies for adaptive data acquisition remains challenging: posterior-based methods rely on surrogate models and posterior approximations that can be misspecified or biased, while direct policy-learning methods map from historical observations and fail to exploit available model representations, making learning harder. We introduce policy learning with belief representations (POLAR), based on the insight that optimal data acquisition depends on the observation history only through a sufficient belief state. Specifically, POLAR decouples representation learning from policy learning by leveraging pretrained predictive foundation models as belief-state encoders, training a policy head on top of their representations. This yields a simple, unified amortised policy learning framework for Bayesian experimental design, Bayesian optimisation, and active learning, differing only in the task-specific utility used to train the policy. Empirically, we find that POLAR outperforms state-of-the-art amortised methods across diverse tasks while requiring far fewer training samples, demonstrating a significant step in the scalability and efficiency of amortised data acquisition.

cs.LG↗

arXiv2026

Generative-Model Predictive Planning for Navigation in Partially Observable Environments

Navigation in partially observable environments presents a significant challenge for autonomous agents, requiring effective decision-making with limited sensory information in unknown environments. Belief-based methods, particularly those using neural networks to approximate the belief space, often fail to capture the inherent multimodality of belief spaces, especially in high-dimensional cases with perceptual aliasing. While generative models present a compelling alternative, they typically require substantial data or expert demonstrations and lack explicit mechanisms for long-term planning. In this paper, we introduce BeliefDiffusion, a novel framework that combines the benefits of both generation and planning. BeliefDiffusion leverages diffusion models to explicitly characterize multimodal belief distributions and utilizes Model Predictive Control (MPC) to simultaneously plan ahead. It consists of two steps: (1) Imagining plausible environment configurations based on observation history and (2) Planning efficient navigation strategies across an aggregated configurations. Through extensive experiments in synthetic map environments, we demonstrate that BeliefDiffusion significantly outperforms both model-free reinforcement learning baselines and other generative approaches in navigation success rate and path efficiency. Our results validate that explicitly incorporating multimodal belief representations into planning enables more robust navigation in partially observable settings.

cs.AI↗

arXiv2026

Point-Identification of a Robust Predictor Under Latent Shift with Imperfect Proxies

Addressing the domain adaptation problem becomes more challenging when distribution shifts across domains stem from latent confounders that affect both covariates and outcomes. Existing proxy-based approaches that address latent shift rely on a strong completeness assumption to uniquely determine (point-identify) a robust predictor. Completeness requires that proxies have sufficient information about variations in latent confounders. For imperfect proxies the mapping from confounders to the space of proxy distributions is non-injective, and multiple latent confounder values can generate the same proxy distribution. This breaks the completeness assumption and observed data are consistent with multiple potential predictors (set-identified). To address this, we introduce latent equivalent classes (LECs). LECs are defined as groups of latent confounders that induce the same conditional proxy distribution. We show that point-identification for the robust predictor remains achievable as long as multiple domains differ sufficiently in how they mix proxy-induced LECs to form the robust predictor. This domain diversity condition is formalized as a cross-domain rank condition on the mixture weights, which is substantially weaker assumption than completeness. We introduce the Proximal Quasi-Bayesian Active learning (PQAL) framework, which actively queries a small, targeted set of diverse domains that satisfy this rank condition. PQAL can recover the point-identified predictor, demonstrates robustness to varying degrees of shift and outperforms previous methods on synthetic data and semi-synthetic dSprites, IHDP, ACS Folktables datasets.

cs.LG↗

arXiv2026

Divide-and-Denoise: A Game-Theoretic Method for Fairly Composing Diffusion Models

The abundance of pre-trained diffusion models provides an opportunity for composition. Combining several models, however, runs the risk of one model dominating or models disagreeing with each other. Here, we propose Divide-and-Denoise, a method for coordinating multiple pre-trained diffusion models during sampling. Much like managing a specialized workforce, our method creates a fair but efficient division of labor across models. Central to our method is the notion of an allocation which defines the responsibility of each model to every region of the noisy sample. At every timestep, we then denoise by (i) updating the allocation by solving a fair division game, where we divide the sample into regions that maximize total utility under fairness constraints, and (ii) aligning the models with this allocation, where we guide each model to denoise within its assigned region. This leads to a new composite denoising process that evolves in tandem with a division process. We evaluate Divide-and-Denoise on conditional image generation. Across several quality metrics, including the GenEval benchmark, our method outperforms baselines and resolves common failures including missing objects and mismatched attributes. Experiments show that Divide-and-Denoise utilizes each model's expertise without neglecting any other model.

cs.CV↗

arXiv2026

Multi-Objective Bayesian Optimization via Adaptive \varepsilon-Constraints Decomposition

Multi-objective Bayesian optimization (MOBO) provides a principled framework for optimizing multiple expensive black-box functions. However, existing MOBO methods often struggle with coverage, scalability, and handling constraints and preferences. In this work we propose STAGE-BO, Sequential Targeting Adaptive Gap-Filling $\varepsilon$-Constraint Bayesian Optimization: by analyzing the coverage of the surrogate Pareto front, our method identifies the Pareto front point with the largest uncovered gap, and uses its coordinates to define adaptive constraints in $\varepsilon$-constraint method, which transforms the problem into a sequence of inequality-constrained subproblems, efficiently solved via constrained expected improvement acquisition. Our approach provides uniform Pareto coverage without hypervolume computation and naturally handles constraints and preferences. Experiments on synthetic and real-world benchmarks demonstrate superior coverage and competitive hypervolume performance against state-of-the-art baselines. Our code implementation can be found at https://github.com/YangYaohong1/STAGE-BO.

cs.LG↗

arXiv2026

Softly Constrained Denoisers for Diffusion Models Applied to Partial Differential Equations

Diffusion models have become a powerful generative prior for solutions of partial differential equations (PDEs). Existing approaches enforce physical constraints either by adding the PDE residuals as loss regularizers or through inference-time adjustments. These methods bias the model away from the true data distribution, which is especially problematic when the governing PDE is misspecified. To circumvent these issues while making the most out of the PDE constraint, we introduce soft inductive biases into the denoiser architecture derived from the PDEs. We show that these softly constrained denoisers exploit constraint knowledge to improve compliance over standard denoisers, while maintaining enough flexibility to deviate from it in case of misspecification with respect to observed data.

cs.LG↗

arXiv2026

Bridging Chemists and AI: An Expert-Augmented Framework for Interpretable Route Evaluation

Selecting efficient multi-step synthetic routes is a central challenge in organic synthesis, particularly in medicinal and process chemistry, where route choice directly impacts feasibility, cost, and development efficiency. Data-driven assessment systems often oversimplify the multi-objective nature of synthesis design and rely on proxy datasets, such as patent routes, rather than universally grounded criteria. To address this, we introduce an expert-augmented, data-driven scoring framework that integrates machine learning with chemists' domain knowledge for both numerical and explainable route assessment. A DeepSets-based model is trained using tree edit distance between reference and machine-generated routes, and then fine-tuned with expert evaluations to produce both quantitative scores and interpretable qualitative categories: Good, Plausible, and Bad. The resulting system achieves a Spearman correlation coefficient of 0.78 and a Pearson correlation of 0.77 for category assessment prediction, and 60.2% top-1 ranking accuracy for score prediction, substantially outperforming the previous baseline of 17.5%.

cs.LG↗