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arXiv

Interpretable reinforcement learning with decision-tree pruning

Mark Leon Ringer, Michel Tokic

Reinforcement learning policies are difficult to inspect, but interpreting them is a prerequisite for trustworthiness. Converting a trained policy into explicit decision-tree rules improves transparency and the resulting artifacts often remain too complex for human understanding. We present a pruning process that simplifies such rule-based policies while preserving task performance and making edits to the policy auditable. The process defines a small set of structural and usage-aware operators and evaluates candidate edits by re-executing the policy to measure return and interpretability proxies. This exposes an transformation process from complex to compact policy structures. We investigate this approach on classic control and MuJoCo benchmarks, where pruning traces reveal consistent interpretability improvements while maintaining high performance.

arXiv

Online Conformal Prediction Beyond Feedback

Joar Skalse, Edoardo Pona, Osvaldo Simeone, Nicola Paoletti

Uncertainty quantification is essential when deploying machine learning models in safety-critical applications. Online conformal prediction (OCP) provides theoretically principled uncertainty quantification for arbitrary black-box classifiers and non-i.i.d. data streams by constructing prediction sets that are guaranteed to contain the true label at a user-specified frequency. OCP usually updates prediction sets using feedback from previously deployed predictions. We instead study an OCP setting beyond feedback: on each round, the learner can either output a prediction set or query the correct label, but not both. Thus, no deployed prediction is ever evaluated directly. We reduce this problem to a partial monitoring game in which prediction actions return no observation and a separate query action reveals the label. The reward function is constructed in a way that encourages the learner to output small prediction sets while ensuring that the correct label is covered with a sufficiently high probability. To solve this game, we develop OCP with queries (OCPQ) by adapting the label efficient forecaster of Cesa-Bianchi, Lugosi, and Stoltz (2004) to our setting. For any black box classifier and any (non-i.i.d.) oblivious data stream of length $T$, OCPQ has $O(T^{2/3})$ expected regret and expected coverage at least $β-O(T^{-1/3})$ for a user-defined $β$, while querying only an expected $T^{-1/3}$ fraction of rounds. This provides coverage comparable to bandit-based OCP methods while requiring no feedback from deployed prediction sets. Experiments on real-world datasets further demonstrate the effectiveness of our approach.

arXiv

Optimized Certainty Equivalent Risk Minimization Using Samples: Algorithms, Convergence Rates, and Applications

Sumedh Gupte, Prashanth L A, Sanjay P. Bhat

We consider the optimization of the Optimized Certainty Equivalent (OCE) risk, with applications including portfolio optimization in finance, and uncertainty quantification, classification, and regression in machine learning. Our contributions cover popular special cases of OCE, such as entropic risk, mean-variance risk, and smooth variants of Conditional Value-at-Risk. Our treatment sets out the conditions that facilitate the extension of OCE to unbounded r.v.s.. We provide a useful characterization of OCE that links OCE to utility-based shortfall risk (UBSR). Our characterization enables us to form an OCE estimator from the classic sample-average approximation (SAA) of UBSR. We derive mean-squared error (MSE) bounds for our proposed OCE estimator. For OCE optimization, we first derive an expression for the OCE gradient using the characterization linking OCE to UBSR. This expression serves as the basis for a gradient estimator for the OCE. We derive non-asymptotic bounds on the MSE for the proposed OCE gradient estimator. We incorporate the aforementioned gradient estimator into a stochastic gradient (SG) algorithm to optimize OCE and quantify its convergence rate using non-asymptotic bounds that we derive. Finally, we present three experiments that use our OCE optimization algorithm to solve portfolio optimization and uncertainty quantification problems.

arXiv

Synthetic LiDAR Data Generation and Deterministic Downsampling for Point Cloud Classification on the Edge

Niclas Meyer, Stefan Reitmann

Deploying three-dimensional deep learning frameworks to low-power embedded processors is bottlenecked by the unstructured nature of spatial data and the resource-intensive distance sorting algorithms often used before neural network inference. To address this gap, this paper presents a hardware-constrained workflow optimized for native execution on the Raspberry Pi 5. To account for the reality gap between noiseless, clean computer-aided design (CAD) datasets and real-world sensor data, we use physics-based simulation to construct a synthetic LiDAR dataset. Cross-dataset evaluations demonstrate a substantial drop in classification accuracy when networks trained on clean CAD data are evaluated on synthetic LiDAR sensor data, highlighting the critical need for sensor-aware training. To address the latency bottleneck of traditional geometric preprocessing on edge CPUs, we integrate an isolated, feature-driven Critical Points Layer (CPL) as a frontend filter. Our results show that the pretrained CPL deterministically compresses raw 1024-point clouds to a subset of 40 to 60 unique coordinates. When profiled on the ARM Cortex-A76 processor, the complete pipeline achieves an inference throughput of approximately 50 FPS while maintaining an instance classification accuracy of 88.36%, demonstrating the viability of deterministic real-time 3D perception at the edge.

arXiv

Beyond Isolation: Unlocking Reinforcement Learning Component Synergy for Sample-Efficient Continuous Control

Qi Zhao, Guozheng Ma, Yilun Kong, Lu Li, Haoyu Wang, Zilin Wang, Tiantian Zhang, Yuxing Wang, Jian Sha, Yongzhe Chang, Xueqian Wang, Dacheng Tao

Reinforcement learning systems are significantly more complex than other machine learning paradigms due to inherent properties, causing RL system design to jointly account for many tightly coupled factors. Despite advances in individual algorithmic components, their functional interdependencies remain underexplored: do they exhibit mutual synergy or counterproductive interference? To bridge this gap, we conduct a systematic investigation and find that the efficacy of different components exhibits significant task-dependency, and naively stacking state-of-the-art techniques does not necessarily yield performance gains; instead, it often triggers emergent challenges, such as compounded non-stationarity. Building upon these findings, we distill a suite of actionable insights into the principled coordination of these components. Guided by these insights, we propose ROSER, an RL framework that coordinates three critical dimensions: Model-based Representation, Optimization Stability, and Experience Replay. Across diverse continuous-control benchmarks, ROSER consistently outperforms vanilla baselines and achieves 17.60% gains over naive stack. Our findings underscore the necessity of a holistic perspective in RL system design and paves the way for developing sample-efficient agents.

arXiv

Transformers Struggle to Use Their Emergent World Models: Revisiting the Tower of Hanoi, and the Illusion of Thinking

Devin Pereira, Willem Zuidema

The Tower of Hanoi is a simple planning puzzle that in prior work has proven challenging for large reasoning models (LRMs). Current models solve the standard formulation of the puzzle, but still struggle with the flat-to-flat variant (where initial and goal states are not restricted to have all rings on a single peg). This paper presents an in-depth study of how both small, in-house Transformers and large, third-party LRMs solve this task. To understand the failures mechanistically, we first train small Transformers from scratch on precomputed solution traces. Using a variety of interpretability techniques, we show that these Transformers develop an emergent world model: a linearly decodable, geometrically faithful representation of the puzzle's state space (the Sierpinski triangle), that is causally involved in solving the puzzles. Second, we return to the large LLMs and apply our techniques to two frontier reasoning models, Qwen3.6-27B and DeepSeek-R1-Distill-Qwen-32B, that attempt to solve the task through extended chain-of-thought. Surprisingly, we find that both models encode the Sierpinski world model near-perfectly at the end of the prompt, and yet fail at the majority of tasks when there are more than 3 rings. We locate the source of this failure in the decaying representation of the world model. We probe for the representation at different stages during planning, and establish causality by showing that performance can be improved by injecting the prompt-time representation at inference. The failure of the models is thus one of maintenance of the required representations, not their absence, and performance is at least partially recoverable. These results thus reframe the reported collapse in performance from prior work: current Large Reasoning Models build a world model, and then lose it.

arXiv

Tensor Network Kernel Machines: A JAX Framework for Machine Learning and Nonlinear System Identification

Albert Saiapin, kim batselier

Developing nonlinear models that are both expressive and computationally efficient remains a challenge in machine learning and nonlinear system identification. Tensor network kernel machines (TNKM) address this challenge by combining nonlinear feature representations with compact low-rank tensor-network parameterizations. However, practical and extensible software frameworks for developing TNKM models remain limited. In this work, we introduce "tnkm", an open-source Python library for constructing and training TNKM models using JAX. The library provides a unified interface for combining different feature maps, tensor-network architectures, and optimization strategies, including alternating least squares and gradient-based methods. We demonstrate the capabilities of "tnkm" on nonlinear benchmark problems, showing that the implemented models achieve competitive prediction accuracy while retaining compact parameterizations and efficient training. The proposed framework facilitates reproducible development and application of tensor-network-based learning methods.

arXiv

Limit Points of Reflow with Minibatch Optimal Transport

Antonin Chambolle, Johannes Hertrich

Rectified flows, also called flow matching or stochastic interpolants, are generative models that learn a time-dependent vector field steering a probability curve between two probability distributions, usually referred to as latent and target distributions. Reflow accelerates inference by iteratively straightening the trajectories induced by this vector field. We study the asymptotic behavior of this iteration and characterize its limit points. First, we define weak rectified couplings which always exist. Next, when rectified flow updates are alternated with minibatch optimal transport steps of fixed batch size, we show that any limit is $N$-cyclically monotone, where $N$ is the batch size. Such $N$-cyclically monotone couplings enjoy favorable structural and stability properties such as rectifiability and straightness. Finally, restricting velocities to gradient fields and assuming additional support conditions, we prove that reflow limits coincide with the optimal transport map between the endpoint distributions.

arXiv

Accounting Graph Transformer for Short-History Multi-KPI Forecasting in Small Businesses

Shrutendra Harsola, Vignesh Subrahmaniam

Small businesses often have only 12-24 months of accounting history, yet planning and risk workflows require coordinated forecasts across financial statements. We study joint 12-month forecasting of 13 income-statement, balance-sheet, cash-flow, and working-capital key performance indicators (KPIs) from 71 monthly ledger series. We introduce the Accounting Graph Transformer (AGT), which represents each ledger series as a masked token, exchanges information through typed attention on a fixed accounting-relation graph, pools target-specific context, and fuses it with a gated three-month recency path. Across 11,993 forecast origins from 1,060 unseen companies, AGT achieves sample-weighted KPI-macro mean absolute error (MAE) $0.6990 \pm 0.0013$ over three independent seeds, compared with $0.7378 \pm 0.0014$ for the strongest baseline, LightGBM. At the pre-specified seed 42, a paired company-clustered bootstrap gives a LightGBM-minus-AGT difference of 0.0395 with 95% confidence interval (CI) $[0.0350,0.0439]$. AGT is best on all 13 KPIs against LightGBM, TimeMixer, and SOFTS in the matched seed-42 comparison, while final-architecture ablations show that relational attention, accounting topology, and the recency path each improve validation and test accuracy. On 7,094 additional unseen companies with origins sampled from January-May 2025, AGT obtains 0.7548 MAE versus 0.7694 for SOFTS. A single 5.3M-parameter model produces 156 aligned forecasts without company-specific fitting, providing one forecasting layer for integrated planning, liquidity, and working-capital analysis.

arXiv

Hyperbolic Graph Embedders for Link Prediction and Topology Reconstruction

Robert Jankowski, Maksim Kitsak, Dorota Celińska-Kopczyńska

Hyperbolic embeddings provide compact geometric representations of complex networks in hyperbolic spaces, but systematic comparisons of methods developed in machine learning, network science, and algorithmics remain rare. We benchmark 13 unsupervised hyperbolic graph embedders under a unified protocol for link prediction and topology reconstruction on synthetic and empirical networks. The protocol captures both missing-link recovery and the preservation of local and global network structure. Maximum-likelihood and representation-learning-based approaches, including hybrid variants, achieve the strongest overall performance, although no method dominates across all tasks and structural regimes. Performance is more strongly associated with embedding paradigm than with disciplinary origin. We identify the network regimes in which different paradigms succeed or fail and provide practical guidance for method selection in downstream applications.

arXiv

FedLBW: A Loss-Based Weighting Strategy for Federated Learning on Non-IID Data in Wireless Networks

Majid Kundroo, Tinku Singh, Taehong Kim

Federated Learning (FL) enables collaborative machine learning (ML) across distributed clients while preserving privacy. However, efficient model convergence in FL remains challenging, especially in wireless networks where non-independent and identically distributed (non-IID) data and frequent client dropouts are common. Traditional FL algorithms, such as FedAvg, rely solely on dataset size to weight client updates. This introduces biases towards clients with larger datasets and makes the process sensitive to non-IID data, outliers, and client dropouts. To address these challenges, we propose Federated Learning with Loss-Based Weighting (FedLBW), a novel aggregation method that assigns each client's update a weight proportional to the inverse of its validation loss, computed using a small proxy dataset on the server, rather than its dataset size. This ensures that lower-loss models exert greater influence during aggregation, prioritizing the most reliable updates and boosting overall performance. Through extensive experiments across multiple datasets, including FashionMNIST (CNN), CIFAR-10 (ResNet-18), and CIFAR-100 (ResNet-34), we demonstrate that FedLBW achieves higher accuracy and faster convergence compared to baseline algorithms such as FedAvg, FedAvgM, FedProx, FedNova, FedLAW and FedDkw, with notable improvements of up to 7.6 % higher accuracy on CIFAR-10 in extreme non-IID cases. Moreover, FedLBW showcases exceptional resilience to increasing dropout probabilities, consistently maintaining significantly higher accuracy even in challenging conditions. These results establish FedLBW as an effective and resilient solution for FL in wireless network environments, offering marked improvements in model accuracy, convergence speed, and robustness to non-IID data and client dropouts.

arXiv

Every Cache Entry Earns Its Place: Global Allocation of Resolution and Coverage for KV Cache Compression

Haolin Tian, Yuzhe Liu, Tonghan Wang

As large language models (LLMs) process increasingly long contexts, KV cache storage and repeated access have become a major bottleneck. Existing KV cache compression methods rely on predefined, fixed compression rules and are typically developed around either token eviction or merging. As a result, cache resources can neither flow freely across layers, heads, and context slots, nor be jointly allocated to balance local resolution and information coverage. Therefore, we propose GraceKV, a global approach for the allocation of resolution and coverage in KV cache compression, and formulate the compression process as a global resource allocation problem under a fixed cache budget. GraceKV treats each layer-KV head-slot combination as an atomic unit and builds a prototype tree. Leaf nodes correspond to token-level KV entries, while each internal node uses a single prototype to compress the KV space covered by its children. A set of non-overlapping nodes in the tree forms the representation of an atomic unit. Adding the root of a new tree expands information coverage, whereas splitting a selected node improves local resolution. All candidate actions compete globally for a shared cache budget. Finally, the nodes retained across all trees form the compressed KV cache. This process adaptively determines the allocation of cache resources among atomic units globally and the balance between resolution and coverage. GraceKV requires no additional training, and the entire compression and inference process is performed on the GPU. Systematic experiments across diverse long-context tasks and compression ratios show that GraceKV ranks first in 24 of 32 settings and remains robust up to 128-fold compression. These results validate the effectiveness of global budget allocation in coordinating information coverage and local resolution.

arXiv

Beyond Foundation Models: Dimension-Aware Neural Architecture Search with Small-Data Representation Models for Cryocooler Lifetime Prediction

Gregor Molan, Grafika Jati, Francesco Barchi, Andrea Acquaviva, Aljaž Osterman, Martin Molan

Large-scale pretrained time-series models achieve strong results through large-scale pretraining and task-agnostic representation learning, but they rely on abundant, diverse data that industrial and scientific domains often lack. We therefore propose the FSD-RM (Family of Small-Data Representation Models) paradigm as a practical alternative for limited, domain-specific telemetry. Rather than relying on large-scale pretraining, we focus on capacity-controlled representation learning using established encoder architectures (CNN1D, LSTM, GRU, Transformer), selected for their suitability in small-data settings and interpretability. These encoders are trained unsupervised on multivariate telemetry data and integrated into a two-stage pipeline for downstream lifetime prediction. To systematically examine architectural trade-offs under data constraints, we employ \textbf{dimension-aware neural architecture search (NAS)} to jointly optimize model capacity and input dimensionality. Experiments on cryocooler telemetry show that the proposed approach achieves competitive predictive performance while reducing training cost and model complexity. The contribution lies in combining established representation learning techniques within a coherent, NAS-driven framework tailored to small-data regimes, with explicitly defined parameter settings and design choices. The results indicate that effective representation learning can be achieved without large-scale pretraining when appropriate inductive bias and capacity control are applied.

arXiv

Density-aware Hierarchical Clustering Based on Element-Categorized Connection Subgraphs

Yuning Yu, José Rodríguez-Piñeiro, Xuefeng Yin, Bin Feng

Clustering is a fundamental data mining technique for pattern recognition through unsupervised learning. Among various clustering methods, hierarchical clustering, density-based clustering, and graph clustering stand out as representative approaches. For hierarchical clustering, it can be categorized into agglomerative and divisive modes to construct clusters in a recursive manner. The key aspect of both modes is the calculation of inter-cluster similarity, which determines whether to merge the sub-clusters into one cluster or divide a current cluster into sub-clusters. Traditionally, the similarity is derived from pairwise distances, often overlooking density variations and structural connectivity in graphs. To address this, we propose a density-aware hierarchical clustering method based on element-categorized connection subgraphs (DHC-ECS), which effectively integrates the hierarchical clustering, density-based clustering, and graph clustering. Particularly, a novel inter-cluster similarity metric is introduced that considers not only distances but also the element categorization in the KNN connection subgraphs, kernel density estimation, and local connectivity within sub-clusters. Extensive evaluations on heterogeneous benchmark datasets demonstrate that DHC-ECS exhibits superior overall performance in terms of clustering accuracy and parameter robustness compared with the baseline methods (including AChameleon, RNN-DBSCAN, McDPC, and G-RMS). The work indicates the great potential of the proposed clustering algorithm for low-dimensional datasets by leveraging local density and graph-structured connectivity (i.e., the duality of vertices and edges), as well as the possibility to determine an intrinsic threshold, reducing the reliance on manual parameter tuning.

arXiv

Mixture of Geodesic Factor Analyzers on Riemannian Homogeneous Spaces

Hengchao Chen, Yuanyao Tan, Chao Huang, Hongtu Zhu, Qiang Sun

This paper introduces Mixtures of Geodesic Factor Analyzers (MGFA) on Riemannian homogeneous spaces. MGFA uses a geodesic factor model within each mixture component, providing greater expressiveness than mixtures of Riemannian radial distributions and enabling clustering of manifold-valued data with anisotropic subpopulations. We establish root-$n$ consistency for the MGFA maximum likelihood estimator (MLE), thereby filling a theoretical gap for mixtures of Riemannian radial distributions as a special case. We also propose an iterative estimation algorithm and implement it on spheres, shape spaces, and hyperbolic spaces. Numerical experiments show that MGFA substantially outperforms competing methods in well-specified regimes while remaining robust under model misspecification. Finally, case studies on corpus callosum and left hippocampus shape datasets demonstrate MGFA's effectiveness for both 2D contour and 3D shape analysis.

arXiv

CAi Copilot: Reducing Operational Workload in Molecular Design through Intent-Driven Agentic Workflows

Zhu Wang, Jiangyu Chen, Yingjun Shang, Yuhui Yao, Laiao Lu, Tianfan Fu, Na Zou

Early-stage molecular design is an iterative process, not just a task of generating molecules. Researchers turn broad goals into design strategies, refine candidates, assess many properties, and gather evidence before synthesis and tests. AI methods can generate molecules, optimize several goals, predict properties, dock compounds, and account for synthesis. Yet these functions are spread across specialized tools. Experts must still coordinate each step, judge interim results, and integrate evidence. The central challenge is thus to turn research intent into adaptive, traceable runs grounded in scientific tools. We cast this challenge as intent-to-evidence molecular design workflow execution and present CAi Copilot, an expert-oriented agent with three linked layers. The Research Interface Layer turns intent into an executable plan. The Agent Reasoning Layer uses interim results to guide each run. The Execution Substrate supplies molecular tools, metrics, reusable utilities, and backend services. Across 45 tasks, CAi achieves the strongest overall performance, with an outcome score of 84.59, exceeding the next-best result by 18.07 points. Additional benchmarks test how CAi coordinates generation, screening, and multi-criteria evaluation, while exposing limits in long-horizon execution. These results show that CAi turns broad molecular-design intent into transparent, traceable workflows that connect interim decisions to candidate-level evidence.

arXiv

How Molecular Generative Models Organize Molecular Identity

Raul Ortega-Ochoa, Tejs Vegge, Jens S. Bakander, Luis Mantilla Calderon, Alan Aspuru-Guzik, Tonio Buonassisi

Generative models for matter are often evaluated as samplers over output representations, and their latent spaces are commonly used as proxies for navigating chemical space. Much less is known about how these models internally arrange discrete chemical identities within those representations. We study this arrangement by making molecular identity explicit and pulling it back through the generative process. Through these pullbacks we probe the regions that generate the same object, exposing the trained model's internal repertoire: a fixed partition that determines which objects (novel or not) the model can produce. Across three molecular generative architectures, we find that this repertoire is arranged into piecewise-constant regions separated by recurring coarse-to-fine boundaries. Its organization depends on the representation probed, the identity convention, decoder stochasticity, and the metric used to compare coordinates. During training, local chemical organization stabilizes while the number of distinct molecular identities represented within each neighborhood continues to change. Internal organization must therefore be characterized, rather than assumed, before a generative space can be treated as chemically navigable.

arXiv

A Rate Separation for Agnostic Direct Sums

Mihir More, Aritra Das, Debayan Gupta

Hanneke, Moran, and Waknine \cite{HannekeMoranWaknine2024} asked how the agnostic PAC learning curve of the direct sum $C^r$ depends on the single-instance learning curve $\epsagn(n\mid C)$ and on $r$. We show that the single-instance learning rate does not determine the direct-sum rate. Let $\F$ be the class of the two constant binary functions and let $\G$ consist of the zero function and the identity function. Both classes have agnostic learning curve of order $n^{-1/2}$.

arXiv

Stream Learning: Partition-Fair Gossip Learning Without Tokens

Fabien Mathieu, Alexandre Pham, Maria Gradinariu Potop-Butucaru, S{é}bastien Tixeuil

In gossip learning, a network of nodes trains a shared model collaboratively, without a central coordinator, by repeatedly exchanging parts of their local models. The state-of-the-art protocol, Partitioned Token Gossip Learning (PTGL) of Heged{ü}s et al., splits the weight matrix into S fixed partitions and disseminates them using a token-based fairness mechanism coupled with per-neighbor metadata exchange. We revisit partition scheduling by analogy with peer-to-peer live streaming, where model partitions act as video chunks and partition age acts as chunk scarcity. The analogy yields a design space of two-stage selection strategies (partition first, or neighbor first), from which we instantiate ten concrete protocols collectively called Stream Learning. Our main finding is that the simplest of these protocols, which transmits the locally least-trained partition to a uniformly random neighbor (Ri), matches PTGL on fault-free workloads while requiring neither token counters nor metadata exchange. Under an adversarial 30% permanent crash of the best-performing nodes, Ri matches or outperforms PTGL across all complete-graph configurations tested, with the gap reaching 5.53% on HAR and 5.41% on MNIST in the most heterogeneous regime (Dirichlet $β$ = 0.1). In our experiments, partition fairness, captured by a single local rule on partition age, accounts for the gap; token-based rate control and utility maximization do not improve over this rule and, under heterogeneity, sit below it.

arXiv

MiCoPro: End-to-End Mixed Precision HW/SW Co-design with HW-aware Proxy Model

Zijun Jiang, Yangdi Lyu

Quantized Neural Networks~(QNN) with low-bitwidth data have proven promising in efficient storage and computation on edge devices. To mitigate accuracy degradation while maximizing speedup, layer-wise mixed-precision quantization~(MPQ) becomes a popular solution. However, existing algorithms for exploring MPQ schemes are limited in flexibility and efficiency. Comprehending the complex impacts of different MPQ schemes on post-training quantization and quantization-aware training results is a challenge for conventional methods. Furthermore, an end-to-end framework for the optimization and deployment of MPQ models is missing in existing work. To address these challenges, we propose the MiCo framework, a holistic MPQ exploration and deployment framework for edge AI applications. The framework adopts a novel optimization algorithm to search for accuracy-optimal quantization configurations under strict latency constraints. We further extended the framework to MiCoPro, which introduces a robust Hardware-Aware Proxy (HAP) model to enhance prediction accuracy and hardware versatility. By leveraging target-specific latency modeling, MiCoPro enables rapid exploration and direct deployment from PyTorch models to bare-metal C code. We demonstrate the versatility of our framework on both the BitFusion accelerator and SIMD-extended RISC-V processors, achieving up to 40\% of latency reduction with less than 3\% of accuracy drop.

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