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Principled Algorithms for Optimizing Generalized Metrics in Multi-Label Learning

arXiv.org Machine Learning

Many real-world classification tasks require predicting multiple labels per instance, necessitating the optimization of complex evaluation metrics such as the $F$-measure and Jaccard index. While the Empirical Utility Maximization (EUM) framework is natural for these population-level metrics, existing theoretical results are largely limited to asymptotic Bayes-consistency. In this paper, we develop principled learning algorithms for optimizing a broad class of generalized metrics within the EUM framework, grounded in the stronger notion of $H$-consistency. Our key contribution is the design of novel surrogate loss functions for multi-label learning that admit provable $H$-consistency bounds, enabling optimization with non-asymptotic guarantees tailored to the hypothesis class and finite samples. Crucially, we prove these combinatorially formulated surrogates decompose exactly, operating in strictly $O(l)$ time without approximations. Building on this foundation, we introduce MMO (Multi-Label Metric Optimization), a new family of algorithms for optimizing generalized linear-fractional metrics. We validate our approach through extensive experiments, demonstrating robust scalability and superior performance over state-of-the-art continuous baselines on large-scale datasets (MS-COCO, Reuters-21578) in high-sparsity, deep learning regimes. Our results offer both theoretical rigor and practical effectiveness for general multi-label metric optimization.


Learning Nonlinear Factor Models with Unknown Monotone Links from Incomplete and Noisy Data

arXiv.org Machine Learning

We study a nonlinear factor model in which observed responses depend on low-rank latent factors through an unknown monotone link function. This setting is challenging and largely underexplored due to severe nonconvexity and identifiability issues. The link function is assumed to lie in a reproducing kernel Hilbert space (RKHS), enabling flexible nonparametric modeling while preserving identifiability. We formulate the problem as the joint recovery of the low-rank factors, loadings, and the nonlinear link function from possibly incomplete and noisy observations and propose a projected block coordinate descent (BCD) algorithm with explicit regularization to address scale and rotational ambiguities. Under mild incoherence of factors and standard sampling conditions, we establish convergence guarantees in both noiseless and noisy regimes, along with sublinear regret bounds for the link-function updates. Our results extend classical linear factor models to a broad nonlinear regime and provide a principled framework for learning nonlinear latent structures. We evaluate the proposed approach using controlled synthetic experiments, indicating promising performance.


Agile Online Model Selection: Resolving Adaptation Lag via Safeguarded Large Learning Rates

arXiv.org Machine Learning

Maintaining predictive accuracy in non-stationary environments requires online model selection to adapt autonomously to unknown distribution shifts. However, existing tuning-free algorithms face a fundamental trade-off between robustness and agility. Specifically, to ensure dynamic regret bounds, they must restrict learning rates to small constants (e.g., $O(1)$). This restriction inevitably causes significant adaptation lag during abrupt changes. To resolve this, we propose a novel optimistic online mirror descent that utilizes safeguarded large learning rates up to $ฮ˜(T)$, where $T$ is the number of rounds. Our key technical contribution is a post-hoc penalty mechanism that dynamically monitors unstable updates and excludes learning rates incurring excessive regret, eliminating the need for restrictive a priori constraints. We show that the cumulative penalty remains $O(\log T)$, allowing our algorithm to match near-optimal worst-case guarantees while achieving superior rates in benign cases. Empirical evaluations on synthetic and eleven diverse real-world datasets demonstrate that our approach reduces the adaptation lag from hundreds of rounds to a few rounds, consistently outperforming tuning-free baselines.


Mildly Overparameterized ReLU Networks on Orthogonal Data: Incremental Learning and Implicit Bias

arXiv.org Machine Learning

The successful training of neural networks hinges on the use of first order optimization methods, yet the theoretical characterization of these methods remains incomplete. This is especially true in settings with mild overparameterization. In this work, we study the gradient flow dynamics of two-layer ReLU networks from small initialization with orthogonal training data. We prove the limiting flow converges to a saddle-to-saddle jump process as the initialization scale tends to zero, revealing an incremental learning phenomenon in which a new neuron activates at each saddle. This analysis recovers the known result of Dana et al. (2025, arXiv:2502.16977) that the network interpolates the training data with high probability as soon as $m \gtrsim \log(n)$, where $m$ is the network width and $n$ is the number of training samples. This incremental process characterization also allows us to derive a novel implicit bias result: the learned interpolator has a squared $\ell_2$-norm scaling as $\sqrt{n}$, which is within a constant factor of the minimal $\ell_2$-norm interpolator. More broadly, our work provides the first rigorous proof of an incremental learning process for ReLU networks, whilst suggesting mildly overparameterized networks can converge to interpolating solutions whose complexity is of the same order as that of the optimal interpolator.


Stein-Encoder: A White-Box Supervised Encoder via Stein Identities in Multi-Modal Studies

arXiv.org Machine Learning

In multi-modal biomedical research, integrating high-dimensional genomic data with clinical baselines is essential for precision medicine. However, standard deep neural network approaches often entangle these modalities, obscuring the specific predictive impact of genetic features and leading to possibly suboptimal predictive performance. Motivated by the landmark METABRIC cohort primary breast tumors study, we propose the Stein-Encoder, a white-box supervised framework designed to isolate the genetic signal driving clinical outcomes conditional on nuisance covariates. By leveraging Stein's method and residualization techniques, our approach constructs an interpretable single index that summarizes relevant biological heterogeneity while flexibly incorporating clinical factors and can be used to improve downstream prediction. We establish theoretical guarantees for identification, consistency and efficiency improvement. Applied to the METABRIC cohort, the Stein-Encoder outperforms unsupervised benchmarks in predictive accuracy. Crucially, it achieves structural disentanglement by revealing response-specific biological mechanisms: we find that tumor size is driven primarily by mitotic networks, whereas prognostic indices rely on a distinct proliferation-versus-immune axis. This work contributes a unified, computationally efficient framework that bridges statistical rigor with the representational power of neural networks, enabling interpretable, task-specific and efficient compression of multi-modal health data for a wide range of precision medicine applications, beyond biomarker discovery.


SURF: Steering the Scalarization Weight to Uniformly Traverse the Pareto Front

arXiv.org Machine Learning

Scalarization is widely used in multi-objective optimization owing to its simplicity and scalability. In many applications, the goal is to generate solutions that represent diverse user preferences, ideally with uniform coverage of the Pareto front (PF). However, uniformly sampling scalarization weights usually induces non-uniform coverage of the PF. We explain this mismatch through a geometric analysis of the scalarization path. As the scalarization weight varies, the corresponding solutions trace the PF with a generally non-uniform traversal speed. This speed induces an arc-length cumulative distribution function (CDF); inverting this CDF map yields a principled rule for selecting weights that produce uniform PF coverage. Building on this insight, we propose SURF (Sampling Uniformly along the PaReto Front). For structured problems, including bi-objective bandits, we derive closed-form expressions for this CDF map and the resulting PF-aware weight sampling rule. For general problems, SURF alternates between CDF reconstruction and weight sampling. Theoretically, we show that under provable conditions, SURF converges linearly to an unavoidable finite-sampling floor. Empirically, experiments on bandits, multi-objective-gymnasium, and multi-objective LLM alignment demonstrate that SURF efficiently achieves more uniform PF coverage than baselines.


Improved Guarantees for Constrained Online Convex Optimization via Self-Contraction

arXiv.org Machine Learning

We consider Constrained Online Convex Optimization (COCO) with adversarially chosen constraints. At each round, the learner chooses an action before observing the loss and constraint function for that round. The goal is to achieve small static regret against the best point satisfying all constraints while also controlling cumulative constraint violation ($\mathsf{CCV}$). For strongly convex losses, state-of-the-art algorithms achieve $O(\log T)$ regret and $O(\sqrt{T \log T})$ $\mathsf{CCV}.$ The corresponding best-known bounds for convex losses is $O(\sqrt{T})$ regret and $O(\sqrt{T} \log T)$ $\mathsf{CCV}$. In this paper, we give a simple projection-based algorithm that simultaneously achieves $O(\log T)$ regret and $O(\log T)$ $\mathsf{CCV}$ for strongly-convex losses, yielding an exponential improvement in the $\mathsf{CCV}$. For the convex losses, our algorithm improves the $\mathsf{CCV}$ to $O(\sqrt{T})$ while maintaining the optimal $O(\sqrt{T})$ regret. The key to our improvement is a recent geometric result for self-contracted curves, which may be of independent interest.


Learning Interpretable Point-Based Clinical Risk Scores via Direct Optimization

arXiv.org Machine Learning

Many clinical risk scores are deployed as additive rules with nonnegative integer points assigned to relevant binary predictive features. These integer weights not only make the score easier to use in practice but also promote sparsity in the resulting prediction model. Such risk scores are often derived by first fitting a regression model and then rounding the estimated coefficients to the nearest integer after appropriate scaling. This approach is computationally fast but does not guarantee optimality of the resulting score. Alternatively, one may search over all possible integer weights to directly optimize a value function by posing the problem as an integer programming task. However, the associated computational burden can be substantial, especially when the value function is nonconcave or even discontinuous. In this paper, we develop new machine learning algorithms that employ a flexible greedy optimization strategy to learn such additive scoring directly under explicit and sensible optimality objectives. We apply the proposed method to a large electronic health record (EHR) cohort in Epic Cosmos to construct an integer-weighted comorbidity score for measuring the risk of post-discharge mortality. We also conduct a simulation study to examine the finite-sample operating characteristics.


Precision Physical Activity Prescription via Reinforcement Learning for Functional Actions

arXiv.org Machine Learning

Physical activity (PA) plays an important role in maintaining and improving health. Daily steps have been a key PA measure that is easily accessible with common wearable devices. However, methods are lacking to recommend a personalized optimal distribution of daily steps over a period of time for the best of certain health biomarkers. In this paper, we fill this void based on the data from the All of Us Research Program which includes months of step counts as well as repeated measurements of key health biomarkers. We develop a new offline reinforcement learning (RL) algorithm to learn personalized and optimal PA distributions associated with cardiometabolic risk, where the action is a function representing the daily step distribution over a period of time. Simulation studies demonstrate the advantage of the proposed approach over existing continuous-action RL methods. The learned optimal policy from the All of Us data generally suggests people take more daily steps and also follow a more consistent pattern of PA over time while offering tailored recommendations for subgroups in blood glucose level, body mass index, blood pressure, age, and sex.


Online Market Making and the Value of Observing the Order Book

arXiv.org Machine Learning

We study an online market-making problem in which a learner sequentially posts bid and ask prices for a single asset while interacting with traders holding private valuations. Unlike existing online learning formulations that assume fully censored feedback, we introduce an action-dependent feedback model inspired by real limit order books: when a trade occurs, the trader's valuation remains hidden, whereas when no trade occurs, informative feedback about supply and demand is revealed. We show that this additional information fundamentally changes the learnability of the problem. In the stochastic setting with i.i.d. market prices, we propose an elimination-based algorithm that achieves $O(\sqrt T)$ regret with high probability, without requiring any smoothness assumptions on the distribution of trader valuations. We then extend this result to a broad class of mean-reverting price processes by considering both local, autoregressive dynamics and a weaker global drift condition based on cumulative deviations from the mean. Under either assumption, we establish high-probability $O(\sqrt T)$ regret bounds, relying on a new concentration inequality of independent interest. Finally, in the adversarial setting with oblivious prices, we design an explore-then-perturb algorithm that guarantees $O(T^{2/3})$ regret in expectation. Our results quantify the value of observing the order book in online market making and demonstrate that even limited, action-dependent feedback can substantially improve regret guarantees compared to standard bandit feedback models.