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10月12日 周一
arXiv cs.LG70

Bayesian Nonparametric Mixed-Effect ODEs with Gaussian Processes

arXiv:2605.13088v2 Announce Type: replace Abstract: Dynamical modelling in pharmacometrics, systems biology, and epidemiology often involves subjects with related but distinct dynamics, observed through temporally sparse and irregular measurements. Classical nonlinear mixed-effects ODE models represent this heterogeneity but rely on parametric vector fields, making them vulnerable to structural misspecification. Existing nonparametric ODE methods typically assume shared dynamics rather than an explicit mixed-effect hierarchy. We propose MEGPODE, a Bayesian nonparametric mixed-effect ODE model that decomposes each subject's vector field into a shared population component and a subject-specific deviation, both endowed with Gaussian process priors. To avoid repeated ODE solves during training, we represent latent trajectories with state-space GP priors and penalize discrepancies between their derivatives and the vector fields on a finite time grid. A single variational objective enables approximate joint inference over trajectories and vector fields, accounting for state uncertainty and dependence between population and subject-specific dynamics. Across heterogeneous oscillatory and biomedical ODE benchmarks, MEGPODE improves population-field recovery and subject-level trajectory prediction relative to strong baselines.

arXiv cs.LG62

On the Approximation Complexity of Matrix Product Operator (MPO) Born Machines

arXiv:2605.11471v2 Announce Type: replace Abstract: Matrix product operator Born machines (MPO-BMs) are tractable tensor-network models for probabilistic modeling, yet their approximation capabilities remain poorly understood in theory. In this paper, we characterize these capabilities from both negative and positive perspectives. As a negative result, we prove that constructing a polynomial-bond MPO-BM approximation to an arbitrary continuous target with bounded KL error is NP-hard. On the positive side, for score-based variational inference, we prove that targets satisfying a log-Sobolev inequality admit polynomial-bond MPO-BM approximations with provable KL guarantees when the loss-induced Hamiltonian is local and has a constant spectral gap. Furthermore, under the same conditions, we construct local importance-sampling estimators and prove that polynomially many local score queries suffice to preserve the KL guarantees.

arXiv cs.LG64

Model Capacity Determines Grokking through Competing Memorisation and Generalisation Speeds

arXiv:2605.09724v2 Announce Type: replace Abstract: Existing accounts of grokking explain the phenomena in terms of mechanistic frameworks such as circuit efficiency or lazy-to-rich transitions. However, despite a known dependence between grokking and model size, how model capacity shapes grokking remains an open question. We give an information-theoretic account of this relationship on the task of modular arithmetic, showing that grokking does not immediately occur when a model becomes large enough to memorise the training set, but rather emerges as the outcome of a competition between two measurable timescales: a memorisation speed $T_{\text{mem}}(P)$ and a generalisation speed $T_{\text{gen}}(P)$, both of which are functions of model parameter count $P$. Adapting the information capacity framework of Morris et al. (2025), we estimate $T_{\text{mem}}(P)$ on random-label data of equivalent complexity and $T_{\text{gen}}(P)$ on the modular task itself, and show that grokking emerges close to the parameter scale where these timescales intersect. The framework also suggests an empirical model for predicting memorisation speed given model capacity and dataset complexity, recovering the previously reported empirical observation that larger models memorise faster. Overall, we motivate the formalisation of different learning timescales as important abstractions to study when explaining how model capacity shapes grokking on algorithmic tasks.

arXiv cs.LG79

FactoryNet:面向工业时间序列基础模型的大规模数据集

arXiv:2605.09081v5 公告类型:替换 摘要:工业机器是受驱动系统,但大多数开放时间序列语料库仅记录传感器测量结果;少数记录了指令信号的语料库也采用因机器而异的厂商特定格式,因此无法跨实体形态比较指令意图与测量响应。我们提出 FactoryNet,一个用于工业时间序列预训练的语料库:涵盖七种实体形态、四类任务的 5.7 万次端到端任务执行(1.5 万次真实执行、4.2 万次合成执行),共计 1.13 亿个数据点,并提供 27 种带标注的异常类型、正常基线及反事实配对。所有来源中的每个信号均映射至统一的控制理论模式 Setpoint、Effort、Feedback、Context(S-E-F-C),该模式以通用表示框架描述任意受驱动系统,并将指令与实际响应之间的动态差异呈现为显式预测残差。利用该语料库,我们发现,仅使用仿真训练、不使用任何真实阶段标签的任务阶段模型,在两种机器人上均能达到真实数据性能上限的约三分之二;迁移在同一机器人系列内有效,但跨厂商时鲜有成效。故障特征则表现不同:未经校准的仿真器在两种机器人上均无法提供可检测的故障信号,而对齐特征分布也无法弥补这一缺陷。有限的区分能力来自 Effort:在实测工具运动的故障判别表现接近随机水平时,电机电流仍能区分故障;而通过校准仿真器以复现这一个通道,即可在真实机器人上识别出一种负载故障。我们据此认为,仿真能够捕捉任务的稳定结构,而故障行为仍具有多样性,且取决于具体故障类型。我们发布 FactoryNet,旨在为工业基础模型提供持续扩展、涵盖多种实体形态的数据基础。

arXiv cs.LG69

Reinforcement learning for inverse silhouette design and rapid laser cutting of compact parallelogram quad kirigami prototypes

arXiv:2605.08098v2 Announce Type: replace Abstract: Kirigami is an increasingly useful fabrication method to produce shape-programmable metamaterial structures. However, inverse design remains difficult because deployment is nonlinear, and feasible cut layouts must satisfy discrete compatibility rules, avoid overlap, and map one target shape to valid designs. We present RL-Kirigami, an inverse design framework that combines optimal-transport conditional flow matching (OT-CFM) with reinforcement learning to generate compatible ratio fields for compact reconfigurable parallelogram quad kirigami. A marching decoder enforces global geometric compatibility, and Group Relative Policy Optimization (GRPO) aligns the generator with nondifferentiable rewards for silhouette matching, feasibility, and ratio-field regularity. Across procedurally generated target shape instances, a single sample from the pretrained OT-CFM prior reached $94.2\%~\mathrm{sIoU}$ and outperformed solver baselines while reducing forward simulator evaluations from hundreds to $1$. GRPO improved accuracy to $94.91\%~\mathrm{sIoU}$ and, with regularity included, reduced $\mathrm{TV}(\mathbf{x})$ from $0.95$ to $0.81$ while maintaining $94.83\%~\mathrm{sIoU}$. Generated layouts were exported to DXF and laser cut in $50~\mu\mathrm{m}$ polymeric sheets to produce deployable prototypes in $8.0\pm 1.0$ minutes per part. These results support a manufacturing-aware inverse design workflow for deployable kirigami metamaterials under geometric feasibility constraints. Code is available at https://github.com/milad1378yz/RL-Kirigami.

arXiv cs.LG71

超越成对比较:你的语言模型正在暗中优化偏好图

arXiv:2605.08037v2 公告类型:替换 摘要:直接偏好优化(DPO)利用成对偏好比较来对齐语言模型,为基于人类反馈的强化学习(RL)提供了一种简单有效的替代方案。然而,在许多实际场景中,训练数据包含每个提示对应的多个采样输出,由此形成了丰富的偏好结构,而成对 DPO 无法利用这些结构。将此类数据简化为相互独立的样本对会丢弃传递性,引入冗余或冲突的监督,并可能导致优化不稳定。我们提出 Graph Direct Preference Optimization(GraphDPO),这是 DPO 的一种结构化推广,在由采样输出排名形成的有向无环偏好图上进行优化。GraphDPO 将支配关系编码为边,并优化一个受 Plackett--Luce 启发的图结构目标函数,该目标函数在被支配邻域上聚合监督信息,传播输入偏好的传递结构,同时将标准 DPO 涵盖为一种特例。GraphDPO 通过等价类构造自然地处理偏好并列和不可比较的回答:具有相同偏好信号的回答构成图层,不可比较的回答共享同一层且彼此之间不连边,不存在的边对损失的贡献为零,从而避免严格全序目标函数产生的伪梯度。在这种分层构造下,GraphDPO 通过高效的 log-sum-exp 聚合,将每个提示的计算复杂度保持在线性水平。我们进一步引入可选的真实答案锚定机制,将经过验证的解作为支配节点插入,并采用退火调度,在稳定早期训练的同时逐步放松预言机监督。在推理和程序合成任务上的实验表明,该方法具有更优的性能,说明图结构偏好建模是一种可扩展且稳健的方案,可替代成对和列表式对齐目标。

arXiv cs.LG71

用于离散选择模型的 Constrained Triple-Head Price Optimization (C3PO) 网络

arXiv:2605.06941v2 公告类型:替换 摘要:我们提出了 Constrained Triple-Head Price Optimization (C3PO) 网络,用于离散选择环境中的实时双层决策。在这些场景中,卖方选择提供的产品或服务以实现业务目标,而异质用户根据自身偏好做出个性化的接受或拒绝决策,最终决定卖方的收益结果。现有方法利用合成数据微调预训练的表格基础模型,但受限于模仿学习范式,且无法强制执行常见的定价规则,包括跨产品约束和全局约束。C3PO 通过一种新颖的基于 transformer 的架构解决了这些局限,该架构联合整合价格模仿学习、多任务收入预测和上下文弹性学习,无需重新训练即可生成跨领域的稳健定价建议。一个轻量级可微约束层使生成的价格在优化收入目标的同时满足业务约束。我们在仿真、合成和真实世界数据集上展示了该模型出色的分布外性能。在经过校准的 MNL 模型相对于真实选择模型存在设定偏误的仿真基准中,C3PO 相较于经过校准的 MNL 基线将预期收入提高了 1.4 至 7.9 个百分点。约束层将平均绝对约束违反量降低了 50% 以上。我们进一步将该模型部署到真实世界应用中,包括医疗招标定价和航空附加服务定价。在这些应用中,以涨价和降价召回率衡量,C3PO 将定价方向有效性提高了 18 至 34 个百分点,具体增幅取决于所比较的基线,包括经过校准的 MNL、经典优化方法和现成的表格基础模型。

arXiv cs.LG72

逆向玩转网络:一种博弈论归因框架

arXiv:2605.06212v2 公告类型:替换 摘要:归因方法用于解释哪些输入特征驱动了模型的预测,因此在模型调试和机制可解释性研究中具有核心地位。然而,包括梯度、LRP 和 transformer 专用规则在内的反向归因方法,缺乏一个可用于比较其底层反向计算的统一框架。我们基于 Gaubert 和 Vlassopoulos 的 ReLU Net Game,将反向归因重新表述为扩展网络图上的双人博弈,从而提出了这样一个框架。在特定均衡下,梯度和整个 alpha-beta-LRP 方法族均可表示为对博弈轨迹的积分,因此归因图成为轨迹分布的投影,而不再是首要研究对象。定位聚焦性、对输入噪声的鲁棒性或稳定的注意力路由等期望的解释属性,可以通过策略正则化、风险厌恶和扩展动作集等博弈论概念来刻画,并直接转化为对现有经典反向规则的新型改进。在 ViT-B/16 上,我们选取的一种此类 alpha-beta-LRP 改进方法,在所有考察的定位指标上均优于已有的 transformer 专用反向方法。

arXiv cs.LG76

通过最优传输训练不可微网络

arXiv:2605.01928v4 公告类型:替换 摘要:硬阈值、量化和离散路由可能导致训练损失出现平坦区域和跳跃,使普通梯度消失或无定义。我们提出 PolyStep,这是一种仅需前向计算的优化器,通过评估旋转多胞体探测点,并沿探测方向的加权平均方向移动参数块。我们从单侧熵正则化传输中推导权重,并在主要实验中使用其非耦合 softmax 解。我们的分析解释了探测点代价之间的差异何时会产生移动,以及这种移动何时会降低损失。在正单纯形上,非常量的代价总会给出非零方向。对于单调脊函数损失,在任意正温度下,softmax 更新都不会增加损失;扰动界则给出了在弯曲跳跃面附近实现下降的充分条件。对于有界可测损失,我们将探测半径随机化,并确定了一种精确的平滑化方式,其梯度在相差一个比例因子的意义下等于按代价线性加权的方向的期望。这个恒等式为一种理想化的固定温度变体给出了平稳性界:在比我们实际训练配置所满足的条件更强的正则性和采样假设下,该界包含一个 $O(T^{-1/2})$ 项和一个持续存在的偏差下限。我们在包含硬操作的网络、离散优化和策略搜索任务上评估了这一实用方法。在采用硬阈值脉冲神经元的 MNIST 任务上,PolyStep 达到 $93.0 \pm 0.2\%$,而在相同评估次数下,经过最佳调优的无梯度基线为 $79.6 \pm 5.2\%$。这些提升伴随着每个新步骤中与搜索维度成正比的查询成本,因此限制了固定预算下可执行的更新次数。

arXiv cs.LG71

Approximating Uniform Random Rotations by Two-Stage Structured Hadamard Rotations in High Dimensions

arXiv:2604.23418v2 Announce Type: replace Abstract: Uniform random rotations are useful in fast Johnson--Lindenstrauss embeddings, kernel approximation, communication-efficient learning, and recent AI compression pipelines, but are computationally expensive to generate and apply in high dimensions. A practical alternative repeats Walsh--Hadamard transforms with random sign diagonals. Applying this structured rotation twice has shown empirical benefits, but supporting theory remains limited. We study the approximation quality of the two-stage structured Hadamard rotation. Here $d$ is the dimension of the rotated vector. On the positive side, we prove explicit, nonasymptotic upper bounds of order $\sqrt{\log d/d}$ in both Kolmogorov and Wasserstein-1 distance for corresponding coordinates scaled by $\sqrt d$, uniformly over unit inputs and coordinates. For the input $u=e_1$, both distances also have lower bounds of order $d^{-1/2}$ at every coordinate. On the negative side, we prove an explicit lower bound on the Wasserstein-1 distance between the full vector distributions, showing a substantial discrepancy that does not vanish as $d$ grows for the input $u=e_1$. For the same input, we also prove a matching asymptotic upper bound, showing that the lower-bound scale is sharp. Taken together, the results identify a separation between one-dimensional marginal behavior, where approximation improves with dimension, and the full-vector law, where a nonvanishing Wasserstein-1 discrepancy remains. The marginal bounds control coordinate threshold probabilities and expected scalar Lipschitz losses, including expected averages over coordinates. They do not establish joint-coordinate approximation, and the full-vector separation does not imply failure of a particular algorithm. Connecting these distributional results to performance guarantees for specific algorithms remains open.

arXiv cs.LG62

Koopman-Based Nonlinear Identification and Model Predictive Control of a Turbofan Engine

arXiv:2604.01730v3 Announce Type: replace Abstract: This paper investigates Koopman operator-based approaches for multivariable control of a two-spool turbofan engine. A physics-based component-level model is developed to generate training data and validate the controllers. A meta-heuristic extended dynamic mode decomposition is adapted, with a cost function designed to accurately capture both spool-speed dynamics and the engine pressure ratio (EPR), enabling the construction of a single Koopman model that can be reused across multiple control strategies. Using the identified time-varying Koopman model, an adaptive Koopman-based model predictive controller (AKMPC) with a disturbance observer is developed and compared with a Koopman-based feedback linearization controller (K-FBLC) and its integrator-augmented version (K-FBLC-I). The Koopman representation further enables nonlinear GTE output limiters, such as rotor-acceleration and turbine-inlet-temperature limits, to be expressed as linear constraints in the AKMPC. The controllers are evaluated for two control configurations of spool speeds and EPR, under both sea-level and varying flight conditions. The results demonstrate that the proposed identification approach enables accurate predictions of both spool speeds and EPR, allowing the Koopman model to be reused flexibly across different control formulations. While all strategies achieve comparable performance in sea-level conditions, the AKMPC demonstrates improved performance under varying flight conditions due to its ability to capture nonlinear dynamics, handle constraints, and compensate for model mismatch. Moreover, the EPR control strategy improves the thrust response. The study highlights the applicability of Koopman-based control and the advantages of the AKMPC framework for robust turbofan engine control.

arXiv cs.LG73

用于在线生成模型选择的 Mixture-Greedy:多样性感知多臂老虎机是否需要 UCB?

arXiv:2603.21716v3 公告类型:替换 摘要:在现代生成式 AI 中,从多个生成模型中进行高效选择变得越来越重要,因为从次优模型中采样的成本很高。该问题可视为一项多臂老虎机(MAB)任务。在多样性感知评估分数下,生成器的非退化混合可以优于任何单个模型,这使得此类 MAB 设定不同于经典的最优臂识别问题。以往方法在混合目标中加入置信上界(UCB)探索奖励。然而,在多个数据集和评估指标上,我们观察到 UCB 项始终会减缓收敛并降低样本效率。相比之下,不采用显式 UCB 式乐观机制的简单 Mixture-Greedy 策略收敛更快,甚至能取得更好的性能,尤其是在 FID 和 Vendi 等难以构造紧致置信界的常用指标上。我们从理论上解释了这一现象:在特定结构条件下,多样性感知目标通过偏好内部混合解来诱导隐式探索,从而促使所有臂都得到采样,并为基于多样性的目标提供次线性遗憾保证。这些结果表明,在多样性感知多臂老虎机问题中,例如生成模型选择问题,探索可以内生于目标函数的几何结构。

arXiv cs.LG77

权重聚类揭示相对排序在大语言模型中的重要性

arXiv:2603.17917v2 公告类型:替换 摘要:大语言模型(LLMs)包含数十亿个参数,但许多权重的精确数值并非必不可少。我们对预训练模型应用标量 $K$ 均值聚类,将每个权重矩阵中的权重替换为仅 16--64 个共享值。对于 Llama~3.1-8B-Instruct 和 SmolLM2-135M,这种方法无需重新训练即可保持较高的准确率,为压缩磁盘上存储的 LLMs 提供了一种简单方法。仅微调聚类中心,就能进一步挽回剩余准确率损失的 30--40\%。随后,我们将聚类作为分析工具,固定聚类分配,仅扰动共享值,以研究这些值的哪些属性最为重要。我们发现,保留它们的\emph{相对排序}(哪些连接比其他连接更强或更弱)比保留其精确大小更重要。破坏这种排序会大幅增加困惑度,而在许多中间层和后期层中,改变数值但保持排序只会造成很小的损失。然而,仅保留排序还不够。模型性能还取决于是否维持了重构权重的方差,而早期层仍然更为敏感;对聚类分配本身进行扰动表明,其空间几何结构也起着关键的支撑作用。我们在来自两个架构家族的四个 LLMs 中观察到了相同的行为。这些结果表明,权重的排序及其整体方差在 LLM 压缩和鲁棒性方面发挥着核心作用。

arXiv cs.LG64

On the Rate of Convergence of GD in Non-linear Neural Networks: An Adversarial Robustness Perspective

arXiv:2603.02095v2 Announce Type: replace Abstract: We study the convergence dynamics of Gradient Descent (GD) in a minimal binary classification setting, consisting of a two-neuron ReLU network and two training instances. We prove that even under these strong simplifying assumptions, while GD successfully converges to an optimal robustness margin, effectively maximizing the distance between the decision boundary and the training points, this convergence occurs at a prohibitively slow rate, scaling strictly as $\Theta(1/\ln(t))$. To the best of our knowledge, this establishes the first explicit lower bound on the convergence rate of the robustness margin in a non-linear model. Through empirical simulations, we further demonstrate that this inherent failure mode is pervasive, exhibiting the exact same tight convergence rate across multiple natural network initializations. Our theoretical guarantees are derived via a rigorous analysis of the GD trajectories across the distinct activation patterns of the model. Specifically, we develop tight control over the system's dynamics to bound the trajectory of the decision boundary, overcoming the primary technical challenge introduced by the non-linear nature of the architecture.

arXiv cs.LG68

Bridge Matching Sampler: Scalable Sampling via Generalized Fixed-Point Diffusion Matching

arXiv:2603.00530v2 Announce Type: replace Abstract: Sampling from unnormalized densities using diffusion models has emerged as a powerful paradigm. However, while recent approaches that use least-squares `matching' objectives have improved scalability, they often necessitate significant trade-offs, such as restricting prior distributions or relying on unstable optimization schemes. By generalizing these methods as special forms of fixed-point iterations rooted in Nelson's relation, we develop a new method that addresses these limitations, called Bridge Matching Sampler (BMS). Our approach enables learning a stochastic transport map between arbitrary prior and target distributions with a single, scalable, and stable objective. Furthermore, we introduce a damped variant of this iteration that incorporates a regularization term to mitigate mode collapse and further stabilize training. Empirically, we demonstrate that our method enables sampling at unprecedented scales while preserving mode diversity, achieving state-of-the-art results on complex synthetic densities and high-dimensional molecular benchmarks.

arXiv cs.LG68

Beyond State-Wise Mirror Descent: Offline Policy Optimization with Parametric Policies

arXiv:2602.23811v5 Announce Type: replace Abstract: We investigate the theoretical aspects of offline reinforcement learning (RL) under general function approximation. While prior works (e.g., Xie et al., 2021) have established the theoretical foundations of learning a good policy from offline data via pessimism, existing algorithms that are computationally tractable (often in an oracle-efficient sense), such as PSPI, only apply to finite and small action spaces. Moreover, these algorithms rely on state-wise mirror descent and require actors to be implicitly induced from the critic functions, failing to accommodate standalone policy parameterization which is ubiquitous in practice. In this work, we address these limitations and extend the theoretical guarantees to parameterized policy classes over large or continuous action spaces. When extending mirror descent to parameterized policies, we identify contextual coupling as the core difficulty, and show how connecting mirror descent to natural policy gradient leads to novel analyses, guarantees, and algorithmic insights, including a surprising unification between offline RL and imitation learning.

arXiv cs.LG63

Federated Learning of Nonlinear Temporal Dynamics with Graph Attention-based Cross-Client Interpretability

arXiv:2602.13485v3 Announce Type: replace Abstract: Networks of modern industrial systems are increasingly monitored by distributed sensors, where each system comprises multiple subsystems that generate high-dimensional time-series. These subsystems are often interdependent, making it important to understand how temporal patterns observed at one subsystem relate to those observed across others. This problem is particularly challenging in decentralized settings where raw measurements cannot be shared, and client observations are heterogeneous. Moreover, in practice, each subsystem (client) operates a fixed, proprietary model that cannot be modified or retrained, limiting the applicability of existing approaches. Separately, nonlinear dynamics make cross-client temporal interdependencies difficult to characterize, as they are embedded implicitly within nonlinear state-transition functions. This paper presents a vertical federated learning framework for learning one-step-ahead cross-client temporal interdependencies under these constraints. Each client maps high-dimensional local observations to low-dimensional latent states using a nonlinear state-space model, while a Graph Attention Network (GAT)-based central server learns a state-transition model over the communicated states. Given a candidate graph skeleton, the server learns state-dependent attention coefficients that capture cross-client interactions. We analytically relate the GAT attention coefficients to the Jacobian of the learned state-transition model, yielding a first-order characterization of cross-client interdependencies. We further establish bounded closeness of the learned dynamics and Jacobians to a corresponding centralized oracle. Synthetic experiments validate the theoretical results on controlled systems with known graph skeletons. Experiments on real-world datasets with unknown graph skeletons demonstrate superior federated root cause analysis over baselines.

arXiv cs.LG73

ERIS:通过联邦分片聚合改善联邦学习中的隐私、效用与可扩展性权衡

arXiv:2602.08617v3 公告类型:替换 摘要:将联邦学习(FL)扩展至十亿参数规模的模型,迫使人们在隐私、可扩展性和模型效用之间进行艰难权衡。现有解决方案往往孤立地应对这些挑战,或牺牲准确性,或依赖成本高昂的密码学工具,或引入影响收敛的通信与优化低效问题。我们提出 ERIS,这是一个以联邦分片聚合(FSA)为核心的 FL 框架。FSA 是一种新机制,将每个客户端的更新划分为互不重叠的分片,并将其聚合工作分配给多个客户端侧聚合器。FSA 消除了中心聚合瓶颈,限制了任何单一观察者可见的信息,并在重新组装后保持与中心化 FL 相同的更新。ERIS 还可以便捷地集成分布式移位压缩(DSC),以减少传输载荷和暴露的坐标。我们证明,在标准假设下,ERIS 保持收敛性,且互信息泄漏的上界由每次更新中可观测部分的比例决定;该上界随客户端侧聚合器数量的增加而降低,在启用 DSC 时还会随压缩程度的提高而降低。在图像和文本任务(包括大语言模型)上的实验表明,ERIS 实现了与 FedAvg 相当的效用,同时显著缓解了通信瓶颈,并提高了对成员推断攻击和重建攻击的鲁棒性,且无需依赖繁重的密码学运算或降低效用的扰动。

arXiv cs.LG76

COBALT:利用离线轨迹进行上下文老虎机学习以实现多轮代码生成

arXiv:2602.03806v2 公告类型:替换 摘要:训练用于多轮代码生成的大语言模型(LLMs)通常依赖在线强化学习(RL),模型通过反复生成的在线采样轨迹进行学习。尽管有效,在线 RL 的成本可能很高,且训练可能不稳定。本文提出利用离线轨迹的上下文老虎机学习(COBALT),这是一种简单的方法,通过复用离线多轮轨迹,高效训练用于多轮代码生成的 LLMs。基于多轮代码生成是一个单步可恢复的马尔可夫决策过程这一观察,COBALT 首先使用参考 LLM 收集代码生成轨迹,并将其拆分为部分轨迹。随后,在在线老虎机学习过程中,通过单步代码生成训练 LLM 补全每条部分轨迹。在 LiveCodeBench 上,COBALT 显著提升了 R1-Distill 8B 和 Qwen3 8B 的表现,使其 Pass@1 分别最多提高 9.0 和 6.2 个绝对百分点,并达到了采用 GRPO 和 VeRPO 的两种多轮在线 RL 基线的性能。我们还对上下文内奖励投机进行了基于扰动的分析,结果表明 Cobalt 能够增强模型对误导性执行反馈的鲁棒性。总体而言,我们的结果表明,Cobalt 是一种很有前景的多轮代码生成解决方案。我们的代码和数据已公开,地址为 https://github.com/OSU-NLP-Group/cobalt。

arXiv cs.LG76

超越预测集大小:通过信念集几何量化共形不确定性

arXiv:2602.01667v2 公告类型:替换 摘要:预测集大小只能粗略概括共形不确定性。我们通过信念集的几何结构提出了一个更丰富的视角:信念集是与共形预测(CP)区域相容的概率分布族。我们为分割式 CP 建立了这一表示,将近期针对完全式 CP 发现的对应关系加以推广。基于这一表示,我们为若干广泛使用的信念集不确定性度量推导了解析刻画和精确算法,使原本可能需要指数时间的计算在对共形 p 值排序后可在线性时间内完成。我们进一步通过在各误差水平上对基于 Tsallis 熵的集合大小惩罚进行积分,将其中若干度量与经典共形汇总指标统一起来。我们还证明了一项不可能性定理:对于常见的分割式共形回归构造,其诱导的信念集的不确定性汇总指标无法区分不同输入。选择性预测和分布偏移检测的分类实验表明,这些汇总指标通常能够恢复固定误差水平下预测集大小所丢失的有用排序信息,从而实现更细粒度的不确定性评估。这些结果确立了信念集几何作为量化共形不确定性及理解其局限性的一个具有理论依据的框架。

arXiv cs.LG67

Preference-Conditioned Multi-Objective Reinforcement Learning for Tactical Decision Making in Heavy-Duty Vehicles

arXiv:2601.18783v3 Announce Type: replace Abstract: A central difficulty in applying reinforcement learning to real-world applications such as autonomous driving is that conventional scalar reward formulations obtained by aggregating multiple often competing objectives may obscure the structure of their trade-offs. These challenges are particularly relevant to decision-making for heavy-duty vehicles, which requires balancing safety, efficiency, and operational costs under demanding commercial requirements. We present a preference-conditioned multi-objective reinforcement learning framework that explicitly represents these objectives and utilizes Generalized Policy Improvement and Proximal Policy Optimization to learn policies capturing different trade-offs between them. The proposed method approximates the Pareto front across three conflicting objectives: safety, quantified in terms of collisions and successful completion; energy efficiency, quantified using energy cost; and time efficiency, quantified using driver cost. We evaluate the framework in a scalable highway traffic simulation environment tailored for tactical decision making in heavy-duty trucks. It yields smooth and interpretable Pareto fronts, and evaluations across traffic densities and against an analytical baseline show that the learned policies capture meaningful trade-offs. The preference-conditioned policy enables transitions between different driving behaviors without retraining, demonstrating the potential of multi-objective reinforcement learning for adaptive decision making in autonomous heavy-duty vehicles.

arXiv cs.LG54

A Theory of the Mechanics of Information: Generalization Through Measurement of Uncertainty (Learning is Measuring)

arXiv:2510.22809v2 Announce Type: replace Abstract: Traditional machine learning relies on explicit models and domain assumptions, often limiting flexibility and interpretability. We introduce a "model-free" framework of instance-based learning using surprisal (information theoretic uncertainty) to directly analyze and perform inferences from raw data, eliminating distribution modeling, reducing bias, and enabling efficient updates including direct edits and deletion of training data. By quantifying relevance through uncertainty, the approach enables generalizable inference across tasks including generative inference, causal discovery, anomaly detection, and time series forecasting. Our approach emphasizes traceability, interpretability, and data-driven decision making, offering a unified, human-understandable framework for machine learning, can be adapted to virtually all machine learning tasks, achieving competency across all and state-of-the-art performance on anomaly detection and some supervised tasks. The mathematical foundations create a "physics" of information, which enable these techniques to apply effectively to a wide variety of complex data types, including missing data. Our results suggest that this may be a viable foundation upon which to build scalable machine learning and artificial intelligence that can maintain human understandability of the underlying mechanics.

arXiv cs.LG62

Mixture of Many Zero-Compute Experts: A High-Rate Quantization Theory Perspective

arXiv:2510.03151v2 Announce Type: replace Abstract: This paper uses classical high-rate quantization theory to provide new insights into mixture-of-experts (MoE) models for regression tasks. Our MoE is defined by a segmentation of the input space to regions, each with a single-parameter expert that acts as a constant predictor with zero-compute at inference. Motivated by high-rate quantization theory assumptions, we assume that the number of experts is sufficiently large to make their input-space regions very small. This lets us study the approximation error of our MoE model class: (i) for one-dimensional inputs, we formulate the test error and its minimizing segmentation and experts; (ii) for multidimensional inputs, we formulate an upper bound for the test error and study its minimization. Moreover, we consider the learning of the expert parameters from a training dataset, given an input-space segmentation, and formulate their statistical learning properties. This leads us to theoretically and empirically show how the tradeoff between approximation and estimation errors in MoE learning depends on the number of experts.

arXiv cs.LG63

Multidimensional Bayesian Active Machine Learning of Working Memory Task Performance

arXiv:2510.00375v3 Announce Type: replace Abstract: While adaptive experimental design has outgrown one-dimensional, staircase-based adaptations, most cognitive experiments still control a single factor and summarize performance with a scalar. In contrast, we validate here a Bayesian, two-axis, active-classification approach in an immersive virtual testing environment, using a 5-by-5 spatial working-memory reconstruction task as an application domain. Two variables are controlled: spatial load L (number of occupied tiles) and feature-binding load K (number of distinct colors) of items. Stimulus acquisition is guided by posterior uncertainty of a nonparametric Gaussian Process (GP) probabilistic classifier, which outputs a surface over (L, K) rather than a single threshold or maximum span value. In a young adult population, we compare GP-driven Adaptive Mode (AM) with a traditional adaptive staircase Classic Mode (CM), which varies L only at K = 3. Parity between the methods is achieved for this cohort, with an intraclass correlation coefficient of 0.755 at K = 3. As a secondary exploratory result, AM reveals individual differences in interactions between spatial load and feature binding. AM estimates converge more quickly than other sampling strategies, demonstrating that only about 30 samples are required for accurate fitting of the full model.

arXiv cs.LG65

Discovering Phase Space Structure in Learned Hamiltonian Systems

arXiv:2509.23003v3 Announce Type: replace Abstract: Mechanics-inspired neural dynamical models improve interpretability and physical consistency, but they usually assume a known configuration space, fixed physical parameters, and deterministic prediction from a prescribed initial condition. We introduce Structured Phase Space GAN (SPS-GAN), a conditional generative model that learns structured dynamics from both Cartesian trajectories and video. SPS-GAN combines a port-Hamiltonian backbone with adversarial conditional generation, allowing conservative, dissipative, and forced systems to be represented in a single architecture. To infer latent mechanical structure from raw observations, we use a cyclic-coordinate loss that recovers both the system degrees of freedom and canonical coordinates without access to the true phase space. Experiments on simulated and real-world systems show that SPS-GAN improves trajectory accuracy over supervised dynamics baselines and video consistency over generative baselines, while consistently recovering the correct latent mechanical coordinates across observation modalities and dynamical regimes.

arXiv cs.LG60

User Trajectory Prediction Unifying Global and Local Temporal Information

arXiv:2508.02161v2 Announce Type: replace Abstract: Trajectory prediction is essential for formulating proactive strategies that anticipate user mobility and support advance preparation. Therefore, how to reduce the forecasting error in user trajectory prediction within an acceptable inference time arises as an interesting issue. However, trajectory data contains both global and local temporal information, complicating the extraction of the complete temporal pattern. Moreover, user behavior occurs over different time scales, increasing the difficulty of capturing behavioral patterns. To address these challenges, a trajectory prediction model based on multilayer perceptron (MLP), multi-scale convolutional neural network (MSCNN), and cross-attention (CA) is proposed. Specifically, MLP is used to extract the global temporal information of each feature. In parallel, MSCNN is employed to extract the local temporal information by modeling interactions among features within a local temporal range. Convolutional kernels with different sizes are used in MSCNN to capture temporal information at multiple resolutions, enhancing the model's adaptability to different behavioral patterns. Finally, CA is applied to fuse the global and local temporal information. Experimental results show that our model reduces mean squared error (MSE) by 5.04% and mean absolute error (MAE) by 4.35% compared with ModernTCN in 12-step prediction, while maintaining similar inference time.

arXiv cs.LG77

用于 Shapley 值和概率值的回归调整蒙特卡洛估计量

arXiv:2506.11849v3 公告类型:替换 摘要:源于博弈论的概率值,如 Shapley 值、Banzhaf 值和半值,已成为可解释人工智能中的核心工具。它们被用于特征归因、数据归因、数据估值等任务。由于精确计算可能需要指数级时间,研究主要聚焦于利用蒙特卡洛采样和线性回归建模这两种技术的高效近似方法。在本研究中,我们提出了一种结合这两种技术的新方法。我们的方法比以往的算法更加灵活,允许将线性回归替换为任何能够高效计算其概率值的函数族。这使我们能够利用 XGBoost 等基于树的模型的准确性;通过交叉拟合,该方法还可产生无偏估计。在八个数据集上的实验表明,我们的方法在概率值估计方面达到了当前最先进的性能。对于 Shapley 值,我们方法的误差可低至 Permutation SHAP(最流行的蒙特卡洛方法)的 $1/11$、Kernel SHAP(最流行的线性回归方法)的 $1/6.5$,以及 Leverage SHAP(此前最先进的 Shapley 值估计量)的 $1/3.4$。对于更一般的概率值,我们能够将误差降至以往研究中最佳估计量的 $1/390$。

arXiv cs.LG66

Optimizable Model Averaging for Ensembling Heterogeneous Model Outputs

arXiv:2505.21857v2 Announce Type: replace Abstract: Foundation model ensembles can improve accuracy and robustness, but full fine-tuning and parameter-space merging are often expensive or impossible when candidate models have different architectures. We propose Optimizable Model Averaging (OMA), a black-box approach that learns nonnegative model-combination weights, one scalar coefficient per model, to average the candidate models' predictive probabilities, leaving all model parameters frozen, by minimizing regularized predictive entropy. A central challenge is that minimizing predictive entropy can favour confidently incorrect models: increased confidence need not imply improved accuracy or calibration. We therefore examine regularization as a mechanism for controlling adaptation and empirically evaluate its effect on calibration, observing lower expected calibration error in selected configurations, alongside better performance-calibration trade-offs than model output averaging. As foundation models continue to advance, these approaches will enable the incorporation of future, potentially much better models to improve performance on challenging text and image classification tasks.

arXiv cs.LG68

Heterogeneity-Aware Client Sampling for Optimal and Efficient Federated Learning

arXiv:2505.11304v4 Announce Type: replace Abstract: Federated learning (FL) commonly involves clients with diverse communication and computational capabilities. Such heterogeneity can significantly distort the optimization dynamics and lead to objective inconsistency, where the global model converges to an incorrect stationary point potentially far from the pursued optimum. Despite its critical impact, the joint effect of communication and computation heterogeneity has remained largely unexplored, due to the intrinsic complexity of their interaction. In this paper, we reveal the fundamentally distinct mechanisms through which heterogeneous communication and computation drive inconsistency in FL. To the best of our knowledge, this is the first unified theoretical analysis of general heterogeneous FL, offering a principled understanding of how these two forms of heterogeneity jointly distort the optimization trajectory under arbitrary choices of local solvers. Motivated by these insights, we propose Federated Heterogeneity-Aware Client Sampling, FedACS, a universal method to eliminate all types of objective inconsistency. We theoretically prove that FedACS converges to the correct optimum at a rate of $O(1/\sqrt{R})$, even in dynamic heterogeneous environments. Extensive experiments across multiple datasets show that FedACS outperforms state-of-the-art and category-specific baselines by 4.3%-36%, while reducing communication costs by 22%-89% and computation loads by 14%-105%, respectively.

arXiv cs.LG67

EmbodiTTA: Resource-Efficient Test-Time Adaptation for Embodied Visual Systems

arXiv:2505.00986v4 Announce Type: replace Abstract: Continual Test-time adaptation (CTTA) continuously adapts the deployed model on every incoming batch of data. While achieving optimal accuracy, existing CTTA approaches present poor real-world applicability on resource-constrained edge devices, due to the substantial memory overhead and energy consumption. In this work, we first introduce a novel paradigm -- on-demand TTA -- which triggers adaptation only when a significant domain shift is detected. Then, we present OD-TTA, an on-demand TTA framework for accurate and efficient adaptation on edge devices. OD-TTA comprises three innovative techniques: 1) a lightweight domain shift detection mechanism to activate TTA only when it is needed, drastically reducing the overall computation overhead, 2) a source domain selection module that chooses an appropriate source model for adaptation, ensuring high and robust accuracy, 3) a decoupled Batch Normalization (BN) update scheme to enable memory-efficient adaptation with small batch sizes. Extensive experiments show that OD-TTA achieves comparable and even better performance while reducing the energy and computation overhead remarkably, making TTA a practical reality.

arXiv cs.LG74

解耦总方差与信噪比可改进扩散模型

arXiv:2502.08598v3 公告类型:替换 摘要:扩散模型作为一种强大的生成框架,已在众多科学领域得到广泛应用,但其固有的迭代采样过程仍是一个重大的计算瓶颈。虽然通常可以通过减少反向扩散步数来缓解这一问题,但样本质量会变得对所选的噪声调度高度敏感,即对每一步引入噪声和减弱信号的方式高度敏感。尽管已有研究改进了最初的方差保持和方差爆炸调度,但这些方法只是被动地调整总方差,无法对其进行直接且独立的控制。在本研究中,我们提出了一种新颖的总方差/信噪比解耦(TV/SNR)框架,使 TV 和 SNR 能够得到独立控制。我们的方法揭示,对于 TV 呈指数爆炸式增长的调度,在保留其底层 SNR 调度的同时采用恒定 TV 调度,可带来一致的改进。此外,我们证明,推广最优传输流匹配的 SNR 调度能够显著提高生成效率。关键在于,这些增益在不同的反向扩散求解器中均保持一致,并将搜索空间缩减为两个独立且可解释的参数,从而为分子结构生成等复杂科学应用实现快速且稳健的采样。

arXiv cs.LG68

Bandits with Anytime Knapsacks

arXiv:2501.18560v2 Announce Type: replace Abstract: We consider bandits with anytime knapsacks (BwAK), a novel version of the BwK problem where there is an \textit{anytime} cost constraint instead of a total cost budget. This problem setting introduces additional complexities as it mandates adherence to the constraint throughout the decision-making process. We propose SUAK (Strategic Under-utilization for Anytime Knapsacks), an algorithm that utilizes upper confidence bounds to identify the optimal mixture of arms while maintaining a balance between exploration and exploitation. SUAK is an adaptive algorithm that strategically utilizes the available budget in each round in the decision-making process and skips a round when it is possible to violate the anytime cost constraint. In particular, SUAK slightly under-utilizes the available cost budget to reduce the need for skipping rounds. We show that SUAK attains the same problem-dependent regret upper bound of $ O(K \log T)$ established in prior work under the simpler BwK framework, where $K$ denotes the number of arms, and $T$ denotes the time horizon. We also establish an instance-dependent lower bound showing that the $O(K\log T)$ dependence is unavoidable. Finally, we show via extensive simulations that SUAK achieves considerably higher rewards than naive adaptations of BwK algorithms that do not optimize learning under anytime cost constraints.

arXiv cs.LG78

Conditional Vendi Score:面向生成式 AI 模型和 LLM 的提示感知多样性评估

arXiv:2411.02817v3 公告类型:替换 摘要:文本提示引导的生成模型在保真度和提示对齐方面得到了广泛评估,但其生成多样化输出的能力仍缺乏充分研究。现有的多样性指标(如 Vendi 和 RKE)基于核矩阵的冯·诺依曼熵和 Rényi 熵,是为无条件模型开发的,无法区分由提示引起的变异与由模型引起的变异。为弥补这一不足,我们提出了 \textit{Conditional-Vendi} 和 \textit{Conditional-RKE},这两种多样性度量由半正定矩阵的条件熵推导而来。这些评分能够分离出提示引导生成过程中由模型引起的多样性,其中 Conditional-RKE 具有 $O(1/\sqrt{n})$ 的收敛速率。对于 Conditional-Vendi,我们引入了一种截断谱近似方法,可提供具有可扩展性和一致性的估计。在文本生成图像、图像描述生成和 LLM 任务上的实验表明,这些条件评分能够恢复真实的多样性排序,还能引导扩散模型生成更多样化的样本。代码库见 https://github.com/mjalali/conditional-vendi。

arXiv cs.LG65

Deep End-to-End Survival Analysis with Temporal Consistency

arXiv:2410.06786v2 Announce Type: replace Abstract: In this study, we present a novel Survival Analysis algorithm designed to efficiently handle large-scale longitudinal data. Our approach draws inspiration from Reinforcement Learning principles, particularly the Deep Q-Network paradigm, extending Temporal Learning concepts to Survival Regression. A central argument in our method relies on temporal consistency, a recursive consistency condition between survival predictions made at consecutive states. Our framework introduces a delayed target network that decouples the generation of temporally consistent training targets from model updates, providing a more stable training signal while enabling mini-batch optimization and end-to-end training. Additionally, it supports arbitrarily complex architectures, enabling the modeling of intricate temporal dependencies. Through numerous experiments we provide empirical evidence demonstrating our framework's ability to exploit temporal consistency across datasets of varying sizes. Moreover, our algorithm outperforms benchmarks on datasets with long sequences, demonstrating its ability to capture long-term patterns. Finally, ablation studies show that the degree of target delay has a substantial effect on predictive performance and training variability. Across two distinct survival model families, delayed target updates consistently improve over the same-timescale baseline.

arXiv cs.LG66

Instance-Level Difficulty: A Missing Perspective in Machine Unlearning

arXiv:2410.03043v3 Announce Type: replace Abstract: Current research on deep machine unlearning primarily focuses on improving or evaluating the overall effectiveness of unlearning methods while overlooking the varying difficulty of unlearning individual training samples. As a result, the broader feasibility of machine unlearning remains under-explored. This paper studies the cruxes that make machine unlearning difficult through a thorough instance-level unlearning performance analysis over various unlearning algorithms and datasets. In particular, we summarize four factors that make unlearning a data point difficult, and we empirically show that these factors are independent of a specific unlearning algorithm but only relevant to the target model and its training data. Given these findings, we argue that machine unlearning research should pay attention to the instance-level difficulty of unlearning.

arXiv cs.LG77

通过杠杆分数采样实现具有可证明准确性的 Shapley 值估计

arXiv:2410.01917v3 公告类型:替换 摘要:Shapley 值最初源于博弈论,如今已成为可解释机器学习的核心工具,用于将模型预测归因于特定输入特征。然而,精确计算 Shapley 值的成本高昂:对于具有 $n$ 个特征的一般模型,需要进行 $O(2^n)$ 次模型评估。为解决这一问题,近似算法得到了广泛应用。其中最流行的算法之一是 Kernel SHAP,它不依赖于具体模型,且在实践中效果显著。在我们最初提交论文时,Kernel SHAP 尚无已知的强非渐近复杂度保证。为此,我们提出了 Leverage SHAP,这是对 Kernel SHAP 的一种轻量级修改,仅需 $O(n\log n)$ 次模型评估即可提供具有可证明准确性的 Shapley 值估计。我们的方法利用了 Shapley 值估计与不可知主动学习之间的联系,采用了杠杆分数采样这一强大的回归工具。除理论保证外,我们还发现,与广泛使用的 SHAP 库 [Lundberg & Lee, 2017] 中经过高度优化的 Kernel SHAP 实现相比,Leverage SHAP 可将误差降低约 $50\%$。

arXiv cs.LG74

TernaryLLM:三值化大语言模型

arXiv:2406.07177v2 公告类型:替换 摘要:大语言模型(LLMs)在自然语言处理(NLP)任务中取得了卓越的表现,但高昂的计算成本和内存需求限制了其应用。三值化是一种极端的量化方式,通过减少内存使用并支持高能效的浮点加法运算,为这一问题提供了解决方案。然而,将三值化应用于大语言模型时,权重和激活值中的离群值会带来挑战。在本研究中,我们观察到权重中的离群值呈非对称分布,且权重均值不为零,因此引入了双重可学习三值化(DLT),使缩放因子和平移量均可学习。我们还提出了离群值友好的特征知识蒸馏(OFF),以恢复极低比特量化中丢失的信息。所提出的 OFF 能够融入语义信息,且对离群值不敏感。OFF 的核心是利用余弦相似度,最大化三值化模型与浮点模型特征之间的互信息。大量实验表明,在不同大语言模型系列的标准文本生成和零样本基准测试中,我们的 TernaryLLM 均优于以往的低比特量化方法。具体而言,对于最强大的开源模型之一 LLaMA-3,我们的方法(W1.58A16)相较于此前最先进的方法(W2A16),在 C4 上的困惑度降低了 5.8,在零样本任务上的平均准确率提高了 8.2%。

arXiv cs.LG62

Linearized Wasserstein dimensionality reduction with approximation guarantees

arXiv:2302.07373v2 Announce Type: replace Abstract: We introduce LOT Wassmap, a computationally feasible algorithm to uncover low-dimensional structures in the Wasserstein space. The algorithm is motivated by the observation that many datasets are naturally interpreted as probability measures rather than points in $\mathbb{R}^n$, and that finding low-dimensional descriptions of such datasets requires manifold learning algorithms in the Wasserstein space. Most available algorithms are based on computing the pairwise Wasserstein distance matrix, which can be computationally challenging for large datasets in high dimensions. Our algorithm leverages approximation schemes such as Sinkhorn distances and linearized optimal transport to speed-up computations, and in particular, avoids computing a pairwise distance matrix. We provide guarantees on the embedding quality under such approximations, including when explicit descriptions of the probability measures are not available and one must deal with finite samples instead. Experiments demonstrate that LOT Wassmap attains correct embeddings and that the quality improves with increased sample size. We also show how LOT Wassmap significantly reduces the computational cost when compared to algorithms that depend on pairwise distance computations.

arXiv cs.LG72

Hide and Seek:隐藏概念以探寻黑盒模型的解释

arXiv:2610.13935v1 公告类型:交叉投稿 摘要:解释机器学习模型的预测是一项核心挑战,对于黑盒视觉模型而言尤其如此。基于概念的归因方法利用人类可理解的概念来解释模型。现有的基于概念的方法只能解释分类和回归模型。这些方法需要访问模型权重或大规模概念标注数据集,且大多数方法无法提供图像级归因。我们提出 Hide and Seek(HnS),这是一种新的概念级归因方法,无需访问模型权重或带有标签的概念数据集。HnS 能够解释多种视觉模型。给定一个概念和一个图像集,HnS 使用视觉语言模型检索与该概念相符的图像,在每张图像中定位该概念,遮蔽定位到的区域,并根据黑盒模型对原始图像和遮蔽后图像的输出变化来衡量归因。通过直接测量模型行为并支持局部归因,该方法能够实现忠实的归因。我们在 CelebA 和 COCO-Stuff 上验证了 HnS。与现有方法相比,HnS 的归因结果与真实归因的一致性更高。我们展示了 HnS 在多种任务中的适用性,包括图像描述生成和卫星图像分割,而现有概念归因方法均无法用于这些任务。我们在补充材料中提供了匿名代码。

arXiv cs.LG64

Constructive Bounds for the Topological Expressivity of Neural Networks

arXiv:2610.13931v1 Announce Type: cross Abstract: The expressivity of a neural network $\Phi$ describes the class of functions that a network can express. The term topological expressivity refers to a family of measures particularly suited to understand binary classification and is often formulated in terms of the Betti numbers of a decision boundary $\beta (\Phi^{-1}(0))$. Despite its popularity, this measure is not as useful for regression and other problems that do not involve a decision boundary. Instead, we propose to study topological expressivity in terms of the Betti numbers of the output of a neural network $\beta(\Phi(X))$. We formally prove that a ReLU network with architecture $(d,\sum\limits_{k=1}^{d } \beta_k(3k+2),\sum\limits_{k=1}^{d}\beta_k(k+1))$ can express spaces homotopy equivalent to wedge sums of spheres with arbitrary Betti numbers. This gives upper bounds for any arbitrary connected ($\beta_0=1$) sequence of Betti numbers, but by constructing spaces homotopy equivalent to products of $N$ spheres of dimension $d_1,...,d_N$ we achieve much better bounds $(\sum\limits_{n=1} d_n, 3\sum\limits_{n=1}\limits^N d_n + 2N, \sum\limits_{n=1}\limits^N d_n + N) $ for Betti numbers given by $\prod_n (1+x^{d_n})$. Finally we conjecture a much stronger tight bound which gives the architectural bound $(d,d+1,d+1)$ for a space homeomorphic to the sphere.