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Learning Effective Soliton Dynamics from Scattering Data

arXiv.org Machine Learning

In such settings, the inverse scattering transform (IST) of Ablowitz, Kaup, Newell, and Segur [2] has enjoyed a rich and successful history, and is now the standard theoretical framework for deriving reduced-order evolution equations for soliton dynamics. Although these derivations are traditionally of an analytical - rather than data-driven - nature, recent work has employed the IST formalism as a tool for experimental data analysis, using the technique to analyze soliton content from empirical measurements [8, 15, 24]. Moreover, recent approaches using alternative parameterization techniques have demonstrated that the learning of reduced-order, interpretable equations of motion for solitons is tenable in a data-driven setting [6, 26, 27]. Despite the success of this recent work, however, little effort has been devoted to developing a data-driven modeling approach based on the IST itself, most likely due to the fact that the framework is fundamentally problem-specific. In this paper, we address the question of whether effective soliton dynamics can be inferred directly from observed scattering data (as opposed to being derived or approximated analytically).


A Mathematical Optimization Approach for Expert-Informed Bayesian Best Subset Selection

arXiv.org Machine Learning

A central challenge in statistical modeling is identifying the subset of features that belong in the true regression model. The classical best subset selection problem, recently made tractable via mixed-integer optimization (MIO), finds the globally optimal sparse solution. It does not, however, make use of any information beyond the observed data. In many applied settings, domain experts can meaningfully rank or score the relevance of candidate predictors, yet no existing framework integrates such probabilistic expert assessments directly into the best-subsets objective. This paper presents Expert-Implied Bayesian Best Subsets (EBBS), a method that incorporates domain-expert probability estimates of feature relevance into the MIO best-subsets problem through a maximum a posteriori (MAP) framework. Expert views from multiple respondents are aggregated into a single prior probability per feature using the Poisson binomial distribution for marginal probability estimates, the pairwise win rate for pairwise comparisons, or the normalized mean rank for ordinal rankings. This probability enters the objective function as a log-odds penalty term that smoothly encourages or discourages the selection of each feature consistent with the expert consensus. This paper provides analytic derivations of the MAP formulation and characterizes its theoretical properties. The proposed model reduces to Best Subsets when experts all have no views. Empirical results on synthetic and real datasets are forthcoming.


Differentiable Generalized Sliced Wasserstein Plans

Neural Information Processing Systems

Optimal Transport (OT) has attracted significant interest in the machine learning community, not only for its ability to define meaningful distances between probability distributions - such as the Wasserstein distance - but also for its formulation of OT plans. Its computational complexity remains a bottleneck, though, and slicing techniques have been developed to scale OT to large datasets. Recently, a novel slicing scheme, dubbed min-SWGG, lifts a single one-dimensional plan back to the original multidimensional space, finally selecting the slice that yields the lowest Wasserstein distance as an approximation of the full OT plan. Despite its computational and theoretical advantages, min-SWGG inherits typical limitations of slicing methods: (i) the number of required slices grows exponentially with the data dimension, and (ii) it is constrained to linear projections. Here, we reformulate min-SWGG as a bilevel optimization problem and propose a differentiable approximation scheme to efficiently identify the optimal slice, even in high-dimensional settings. We furthermore define its generalized extension for accommodating to data living on manifolds. Finally, we demonstrate the practical value of our approach in various applications, including gradient flows on manifolds and highdimensional spaces, as well as a novel sliced OT-based conditional flow matching for image generation - where fast computation of transport plans is essential.


Uncertainty Estimation on Graphs with Structure Informed Stochastic Partial Differential Equations

Neural Information Processing Systems

Graph Neural Networks (GNNs) have achieved impressive results across diverse network modeling tasks, but accurately estimating uncertainty on graphs remains difficult--especially under distributional shifts. Unlike traditional uncertainty estimation, graph-based uncertainty must account for randomness arising from both the graph's structure and its label distribution, which adds complexity. In this paper, making an analogy between the evolution of a stochastic partial differential equation (SPDE) driven by Matรฉrn Gaussian Process and message passing using GNN layers, we present a principled way to design a novel message passing scheme that incorporates spatial-temporal noises motivated by the Gaussian Process approach to SPDE. Our method simultaneously captures uncertainty across space and time and allows explicit control over the covariance kernel's smoothness, thereby enhancing uncertainty estimates on graphs with both low and high label informativeness. Our extensive experiments on Out-of-Distribution (OOD) detection on graph datasets with varying label informativeness demonstrate the soundness and superiority of our model to existing approaches.


Imbalances in Neurosymbolic Learning: Characterization and Mitigating Strategies

Neural Information Processing Systems

We study one of the most popular problems in neurosymbolic learning (NSL), that of learning neural classifiers given only the result of applying a symbolic component ฯƒ to the gold labels of the elements of a vector x. The gold labels of the elements in x are unknown to the learner. We make multiple contributions, theoretical and practical, to address a problem that has not been studied so far in this context, that of characterizing and mitigating learning imbalances, i.e., major differences in the errors that occur when classifying instances of different classes (aka class-specific risks). Our theoretical reveals a unique phenomenon: that ฯƒ can greatly impact learning imbalances. This result sharply contrasts with previous research on supervised and weakly supervised learning, which only studies learning imbalances under data imbalances. On the practical side, we introduce a technique for estimating the marginal of the hidden gold labels using weakly supervised data. Then, we introduce algorithms that mitigate imbalances at training and testing time by treating the marginal of the hidden labels as a constraint. We demonstrate the effectiveness of our techniques using strong baselines from NSL and long-tailed learning, suggesting performance improvements of up to 14%.


Unified Scaling Laws for Compressed Representations

Neural Information Processing Systems

Scaling laws have shaped recent advances in machine learning by enabling predictable scaling of model performance based on model size, computation, and data volume. Concurrently, the rise in computational cost for AI has motivated model compression techniques, notably quantization and sparsification, which have emerged to mitigate the steep computational demands associated with large-scale training and inference. This paper investigates the interplay between scaling laws and compression formats, exploring whether a unified scaling framework can accurately predict model performance when training occurs over various compressed representations, such as sparse, scalar-quantized, sparse-quantized or even vectorquantized formats. Our key contributions include validating a general scaling law formulation and showing that it is applicable both individually but also composably across compression types. Based on this, our main finding is demonstrating both theoretically and empirically that there exists a simple "capacity" metric--based on the representation's ability to fit random Gaussian data--which can robustly predict parameter efficiency across multiple compressed representations. On the practical side, we extend our formulation to directly compare the accuracy potential of different compressed formats, and to derive better algorithms for training over sparse-quantized formats.


Automaton Constrained Q-Learning

Neural Information Processing Systems

Real-world robotic tasks often require agents to achieve sequences of goals while respecting time-varying safety constraints. However, standard Reinforcement Learning (RL) paradigms are fundamentally limited in these settings. A natural approach to these problems is to combine RL with Linear-time Temporal Logic (LTL), a formal language for specifying complex, temporally extended tasks and safety constraints.


Scalable and adaptive prediction bands with kernel sum-of-squares

Neural Information Processing Systems

Conformal Prediction (CP) is a popular framework for constructing prediction bands with valid coverage in finite samples, while being free of any distributional assumption. A well-known limitation of conformal prediction is the lack of adaptivity, although several works introduced practically efficient alternate procedures. In this work, we build upon recent ideas that rely on recasting the CP problem as a statistical learning problem, directly targeting coverage and adaptivity. This statistical learning problem is based on reproducible kernel Hilbert spaces (RKHS) and kernel sum-of-squares (SoS) methods. First, we extend previous results with a general representer theorem and exhibit the dual formulation of the learning problem.


Training R&DAnalysis Backtest ModelFinancial ModelMarket

Neural Information Processing Systems

Financial markets pose fundamental challenges for asset return prediction due to their high dimensionality, non-stationarity, and persistent volatility. Despite advances in large language models and multi-agent systems, current quantitative research pipelines suffer from limited automation, weak interpretability, and fragmented coordination across key components such as factor mining and model innovation. In this paper, we propose R&D-Agent for Quantitative Finance, in short R&D-Agent(Q), the first data-centric multi-agent framework designed to automate the full-stack research and development of quantitative strategies via coordinated factor-model co-optimization. R&D-Agent(Q)decomposes the quant process into two iterative stages: a Research stage that dynamically sets goal-aligned prompts, formulates hypotheses based on domain priors, and maps them to concrete tasks, and a Development stage that employs a code-generation agent, Co-STEER, to implement task-specific code, which is then executed in real-market backtests. The two stages are connected through a feedback stage that thoroughly evaluates experimental outcomes and informs subsequent iterations, with a multi-armed bandit scheduler for adaptive direction selection. Empirically, R&D-Agent(Q) achieves up to 2 higher annualized returns than classical factor libraries using 70% fewer factors, and outperforms state-of-the-art deep time-series models on real markets. Its joint factor-model optimization delivers a strong balance between predictive accuracy and strategy robustness.


AMarkov Decision Process for Variable Selection in Branch & Bound

Neural Information Processing Systems

Mixed-Integer Linear Programming (MILP) is a powerful framework used to address a wide range of NP-hard combinatorial optimization problems, often solved by Branch and bound (B&B). A key factor influencing the performance of B&B solvers is the variable selection heuristic governing branching decisions. Recent contributions have sought to adapt reinforcement learning (RL) algorithms to the B&B setting to learn optimal branching policies, through Markov Decision Processes (MDP) inspired formulations, and ad hoc convergence theorems and algorithms. In this work, we introduce BBMDP, a principled vanilla MDP formulation for variable selection in B&B, allowing to leverage a broad range of RL algorithms for the purpose of learning optimal B&B heuristics. Computational experiments validate our model empirically, as our branching agent outperforms prior state-of-the-art RL agents on four standard MILP benchmarks.