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Nov 12

Sparsity-Constrained Optimal Transport

Regularized optimal transport (OT) is now increasingly used as a loss or as a matching layer in neural networks. Entropy-regularized OT can be computed using the Sinkhorn algorithm but it leads to fully-dense transportation plans, meaning that all sources are (fractionally) matched with all targets. To address this issue, several works have investigated quadratic regularization instead. This regularization preserves sparsity and leads to unconstrained and smooth (semi) dual objectives, that can be solved with off-the-shelf gradient methods. Unfortunately, quadratic regularization does not give direct control over the cardinality (number of nonzeros) of the transportation plan. We propose in this paper a new approach for OT with explicit cardinality constraints on the transportation plan. Our work is motivated by an application to sparse mixture of experts, where OT can be used to match input tokens such as image patches with expert models such as neural networks. Cardinality constraints ensure that at most k tokens are matched with an expert, which is crucial for computational performance reasons. Despite the nonconvexity of cardinality constraints, we show that the corresponding (semi) dual problems are tractable and can be solved with first-order gradient methods. Our method can be thought as a middle ground between unregularized OT (recovered in the limit case k=1) and quadratically-regularized OT (recovered when k is large enough). The smoothness of the objectives increases as k increases, giving rise to a trade-off between convergence speed and sparsity of the optimal plan.

  • 3 authors
·
Sep 30, 2022

CloneOT: predicting clone-specific perturbation responses with lineage-supervised neural inverse optimal transport

Predicting single-cell perturbation responses requires mapping between two unpaired populations of cells measured before and after the perturbation. Optimal transport (OT) provides a principled framework for constructing such mappings by minimizing the transport cost, and neural OT methods (e.g., CellOT) have been employed for this prediction task. However, these methods rely on a fixed transport cost, typically the squared Euclidean distance. This cost may connect cells with the wrong responses. Lineage tracing provides the information needed to learn the cost, as heritable barcodes link the cells of the same clone before and after the perturbation. Here, we propose \CloneOT, a neural inverse OT method that learns both the transport cost and the transport map from partially lineage-traced single-cell datasets. \CloneOT\ represents the cost as a neural network. It learns the cost by minimizing the extra cost that the lineage adds to the optimal transport, so that the cheapest transport keeps the cells of each clone together. Our experiments demonstrate that \CloneOT\ recovers the correct transport on 2D datasets, while the squared Euclidean cost fails. Moreover, \CloneOT\ outperforms five baselines on 14 lineage-tracing perturbation scenarios of cancer cells, for both seen and unseen clones. Furthermore, we show that \CloneOT\ reveals the clone-specific transcriptional programs of drug-tolerant persister cells and forecasts the fate of each clone from its cells before treatment. Our implementation is available at https://github.com/poseidonchan/CloneOT.

  • 3 authors
·
Oct 11

Graph Learning-based Fleet Scheduling for Urban Air Mobility under Operational Constraints, Varying Demand & Uncertainties

This paper develops a graph reinforcement learning approach to online planning of the schedule and destinations of electric aircraft that comprise an urban air mobility (UAM) fleet operating across multiple vertiports. This fleet scheduling problem is formulated to consider time-varying demand, constraints related to vertiport capacity, aircraft capacity and airspace safety guidelines, uncertainties related to take-off delay, weather-induced route closures, and unanticipated aircraft downtime. Collectively, such a formulation presents greater complexity, and potentially increased realism, than in existing UAM fleet planning implementations. To address these complexities, a new policy architecture is constructed, primary components of which include: graph capsule conv-nets for encoding vertiport and aircraft-fleet states both abstracted as graphs; transformer layers encoding time series information on demand and passenger fare; and a Multi-head Attention-based decoder that uses the encoded information to compute the probability of selecting each available destination for an aircraft. Trained with Proximal Policy Optimization, this policy architecture shows significantly better performance in terms of daily averaged profits on unseen test scenarios involving 8 vertiports and 40 aircraft, when compared to a random baseline and genetic algorithm-derived optimal solutions, while being nearly 1000 times faster in execution than the latter.

  • 3 authors
·
Jan 9, 2024

AlphaTransit: Learning to Design City-scale Transit Routes

Designing a transit network requires many sequential route extension decisions, but their quality is often visible only after the full network is assembled. This delayed-feedback challenge lies at the heart of the Transit Route Network Design Problem (TRNDP), where route interactions can be deceptive: an extension that appears useful locally can create transfer bottlenecks, produce redundant overlap, or reduce overall throughput. To guide route construction under delayed simulator feedback, we introduce AlphaTransit, a search-based planning framework for cityscale bus network design. AlphaTransit couples Monte Carlo Tree Search (MCTS) with a neural policy-value network: the policy proposes route extensions, the value estimates downstream design quality, and search uses these predictions to refine each decision. This provides decision-time lookahead during route construction without running simulator rollouts inside the search tree. We evaluate AlphaTransit on a new Bloomington TRNDP benchmark with realistic road topology and censusderived demand, under mixed and full transit demand settings. In the Bloomington network, AlphaTransit attains the highest service rate in both demand settings, reaching 54.6% and 82.1%, respectively. Relative to reinforcement learning without search, these correspond to 9.9% and 11.4% service rate gains; relative to MCTS without learned guidance, they correspond to 2.5% and 11.2% gains. These results suggest that coupling learned guidance with MCTS is more effective than using either approach alone for transit network design. Our code and data are publicly available in https://github.com/poudel-bibek/AlphaTransit.

  • 3 authors
·
May 26 2

Model-Aware Schedules Improve Generation via Fiberwise Optimal Transport

Diffusion and flow-matching schedules control the signal and noise coefficients that mix data and noise along affine probability paths. Minimizing a kinetic action defined on coefficient paths, motivated by optimal transport, helps explain strong baselines but remains model-agnostic and ignores prediction error. Here we introduce a model-aware schedule construction based on fiberwise optimal transport. At a fixed time and state on the probability path, compatible signal/noise decompositions form an affine fiber. We define a fiberwise prediction risk by averaging optimal-transport costs between the true and predictor-induced decompositions within these fibers. On a fixed coefficient curve, combining this risk with coefficient-path kinetic action yields a closed-form optimal time allocation. This construction extends to general linear prediction targets, and the risk profile can be estimated from an early baseline checkpoint. We evaluate DDPMs and flow matching across prediction targets, training configurations, risk-estimation checkpoints, datasets, and architectures. Our model-aware schedules consistently outperform strong baselines, including a 38.6% relative FID reduction for flow matching on CIFAR-10 at 16 function evaluations. Each model-agnostic kinetic baseline determines its own kinetic reference coordinate. In these coordinates, fiberwise-risk profiles from independently trained models in different settings align closely after normalization to unit area. The resulting schedule deformations used in training also align, suggesting empirical universality across the evaluated models and settings. Pretrained-checkpoint diagnostics extend this normalized-risk agreement to larger conditional latent diffusion and 2-RF models. A frozen analytic allocation template retains most of the model-aware improvement without further risk estimation or model-specific fitting.

  • 4 authors
·
Sep 9

One-Step Generative Modeling via Training Dynamics Action

One-step generative models construct a static generator through iterative training-time transport. Existing transport objectives primarily assess distributional motion, although a neural generator needs to realize the requested sample displacements jointly through shared parameter updates. The training-time construction raises the question: once training becomes the iterative process that constructs the final one-step map, what to optimize: the next distributional move, or the route by which the finite generator learns the final map? To address the question, we introduce Training Dynamics Action (TDAction), which selects transport targets according to local shared-parameter realization cost while retaining a prescribed level of distributional progress. We formulate the cost as a soft-terminal control problem and derive a closed-form Batch Tangent Action-to-Go value that accounts for parameter effort and terminal mismatch. The criterion captures cross-sample interactions omitted by independent pairwise costs; under isotropic mobility, the criterion agrees with quadratic Euclidean assignment for deterministic balanced couplings. Randomized tangent probes provide a low-rank implementation that constructs shared detached targets without adding an inference-time trajectory. Controlled studies examine the relationship between generator geometry, transport selection, and realized local action. On ImageNet 256times256, TDAction attains an FID below 1.1 without distillation.

  • 3 authors
·
Sep 29

Budget-Aware Agentic Routing via Boundary-Guided Training

As large language models (LLMs) evolve into autonomous agents that execute long-horizon workflows, invoking a high-capability model at every step becomes economically unsustainable. While model routing is effective for single-turn queries, agentic routing is a sequential, path-dependent problem: early mistakes compound, feedback is often at the end of the episode, and deployments often demand strict per-task spending limits. We propose Budget-Aware Agentic Routing, which selects between a cheap and an expensive model at each step to optimize the cost--success frontier and to operate under strict per-task budgets. We propose Boundary-Guided Training, which leverages two boundary policies (always-small vs.\ always-large) to build a difficulty taxonomy and to anchor learning under sparse rewards. Our approach warms start with boundary-guided SFT data synthesis via stratified sampling of cost-efficient trajectories, then applies Boundary-Guided Policy Optimization (BoPO), combining boundary-relative rewards with a reference-guided advantage to avoid degenerate cheap-failure solutions. Experiment results show that our method improves the efficiency frontier, matching strong routing baselines at substantially lower cost while demonstrating generalization to strict inference-time budget constraints. Overall, our work establishes a foundational framework for agentic routing, shifting the paradigm from static model selection to dynamic, budget-aware sequential decision-making.

  • 8 authors
·
Feb 3

TSPRank: Bridging Pairwise and Listwise Methods with a Bilinear Travelling Salesman Model

Traditional Learning-To-Rank (LETOR) approaches, including pairwise methods like RankNet and LambdaMART, often fall short by solely focusing on pairwise comparisons, leading to sub-optimal global rankings. Conversely, deep learning based listwise methods, while aiming to optimise entire lists, require complex tuning and yield only marginal improvements over robust pairwise models. To overcome these limitations, we introduce Travelling Salesman Problem Rank (TSPRank), a hybrid pairwise-listwise ranking method. TSPRank reframes the ranking problem as a Travelling Salesman Problem (TSP), a well-known combinatorial optimisation challenge that has been extensively studied for its numerous solution algorithms and applications. This approach enables the modelling of pairwise relationships and leverages combinatorial optimisation to determine the listwise ranking. This approach can be directly integrated as an additional component into embeddings generated by existing backbone models to enhance ranking performance. Our extensive experiments across three backbone models on diverse tasks, including stock ranking, information retrieval, and historical events ordering, demonstrate that TSPRank significantly outperforms both pure pairwise and listwise methods. Our qualitative analysis reveals that TSPRank's main advantage over existing methods is its ability to harness global information better while ranking. TSPRank's robustness and superior performance across different domains highlight its potential as a versatile and effective LETOR solution.

  • 5 authors
·
Nov 18, 2024

SP^2OT: Semantic-Regularized Progressive Partial Optimal Transport for Imbalanced Clustering

Deep clustering, which learns representation and semantic clustering without labels information, poses a great challenge for deep learning-based approaches. Despite significant progress in recent years, most existing methods focus on uniformly distributed datasets, significantly limiting the practical applicability of their methods. In this paper, we propose a more practical problem setting named deep imbalanced clustering, where the underlying classes exhibit an imbalance distribution. To address this challenge, we introduce a novel optimal transport-based pseudo-label learning framework. Our framework formulates pseudo-label generation as a Semantic-regularized Progressive Partial Optimal Transport (SP^2OT) problem, which progressively transports each sample to imbalanced clusters under several prior distribution and semantic relation constraints, thus generating high-quality and imbalance-aware pseudo-labels. To solve SP^2OT, we develop a Majorization-Minimization-based optimization algorithm. To be more precise, we employ the strategy of majorization to reformulate the SP^2OT problem into a Progressive Partial Optimal Transport problem, which can be transformed into an unbalanced optimal transport problem with augmented constraints and can be solved efficiently by a fast matrix scaling algorithm. Experiments on various datasets, including a human-curated long-tailed CIFAR100, challenging ImageNet-R, and large-scale subsets of fine-grained iNaturalist2018 datasets, demonstrate the superiority of our method.

  • 3 authors
·
Apr 4, 2024

Model Compression with Exact Budget Constraints via Riemannian Manifolds

Assigning one of K options to each of N groups under a total cost budget is a recurring problem in efficient AI, including mixed-precision quantization, non-uniform pruning, and expert selection. The objective, typically model loss, depends jointly on all assignments and does not decompose across groups, preventing combinatorial solvers from directly optimizing the true objective and forcing reliance on proxy formulations. Methods such as evolutionary search evaluate the actual loss but lack gradient information, while penalty-based approaches enforce the budget only approximately and often require extensive hyperparameter tuning. We present a new approach by showing that, under softmax relaxation, the budget constraint defines a smooth Riemannian manifold in logit space with unusually simple geometry. The normal vector admits a closed-form expression, shifting logits along the cost vector changes expected cost monotonically, and vector transport reduces to a single inner product. Building on these properties, we propose Riemannian Constrained Optimization (RCO), which augments a standard Adam step with tangent projection, binary-search retraction, and momentum transport. Combined with Gumbel straight-through estimation and budget-constrained dynamic programming for discrete feasibility, RCO enables first-order optimization of the actual loss under exact budget enforcement without introducing constraint-specific hyperparameters. Across both synthetic benchmarks and realistic LLM compression settings, RCO matches or exceeds state-of-the-art methods while often requiring substantially less wall-clock time. Source code is available at https://github.com/IST-DASLab/RCO.

  • 2 authors
·
May 6

GenMRP: A Generative Multi-Route Planning Framework for Efficient and Personalized Real-Time Industrial Navigation

Existing industrial-scale navigation applications contend with massive road networks, typically employing two main categories of approaches for route planning. The first relies on precomputed road costs for optimal routing and heuristic algorithms for generating alternatives, while the second, generative methods, has recently gained significant attention. However, the former struggles with personalization and route diversity, while the latter fails to meet the efficiency requirements of large-scale real-time scenarios. To address these limitations, we propose GenMRP, a generative framework for multi-route planning. To ensure generation efficiency, GenMRP first introduces a skeleton-to-capillary approach that dynamically constructs a relevant sub-network significantly smaller than the full road network. Within this sub-network, routes are generated iteratively. The first iteration identifies the optimal route, while the subsequent ones generate alternatives that balance quality and diversity using the newly proposed correctional boosting approach. Each iteration incorporates road features, user historical sequences, and previously generated routes into a Link Cost Model to update road costs, followed by route generation using the Dijkstra algorithm. Extensive experiments show that GenMRP achieves state-of-the-art performance with high efficiency in both offline and online environments. To facilitate further research, we have publicly released the training and evaluation dataset. GenMRP has been fully deployed in a real-world navigation app, demonstrating its effectiveness and benefits.

  • 9 authors
·
Feb 3

The Monge Gap: A Regularizer to Learn All Transport Maps

Optimal transport (OT) theory has been been used in machine learning to study and characterize maps that can push-forward efficiently a probability measure onto another. Recent works have drawn inspiration from Brenier's theorem, which states that when the ground cost is the squared-Euclidean distance, the ``best'' map to morph a continuous measure in P(Rd) into another must be the gradient of a convex function. To exploit that result, [Makkuva+ 2020, Korotin+2020] consider maps T=nabla f_theta, where f_theta is an input convex neural network (ICNN), as defined by Amos+2017, and fit theta with SGD using samples. Despite their mathematical elegance, fitting OT maps with ICNNs raises many challenges, due notably to the many constraints imposed on theta; the need to approximate the conjugate of f_theta; or the limitation that they only work for the squared-Euclidean cost. More generally, we question the relevance of using Brenier's result, which only applies to densities, to constrain the architecture of candidate maps fitted on samples. Motivated by these limitations, we propose a radically different approach to estimating OT maps: Given a cost c and a reference measure rho, we introduce a regularizer, the Monge gap M^c_{rho}(T) of a map T. That gap quantifies how far a map T deviates from the ideal properties we expect from a c-OT map. In practice, we drop all architecture requirements for T and simply minimize a distance (e.g., the Sinkhorn divergence) between Tsharpmu and nu, regularized by M^c_rho(T). We study M^c_{rho}, and show how our simple pipeline outperforms significantly other baselines in practice.

  • 2 authors
·
Feb 9, 2023

Faster All-Pairs Optimal Electric Car Routing

We present a randomized O(n^{3.5})-time algorithm for computing optimal energetic paths for an electric car between all pairs of vertices in an n-vertex directed graph with positive and negative costs. The optimal energetic paths are finite and well-defined even if the graph contains negative-cost cycles. This makes the problem much more challenging than standard shortest paths problems. More specifically, for every two vertices s and~t in the graph, the algorithm computes α_B(s,t), the maximum amount of charge the car can reach~t with, if it starts at~s with full battery, i.e., with charge~B, where~B is the capacity of the battery. In the presence of negative-cost cycles, optimal paths are not necessarily simple. For dense graphs, our new O(n^{3.5}) time algorithm improves on a previous O(mn^{2})-time algorithm of Dorfman et al. [ESA 2023] for the problem. The cost of an arc is the amount of charge taken from the battery of the car when traversing the arc. The charge in the battery can never exceed the capacity~B of the battery and can never be negative. An arc of negative cost may correspond, for example, to a downhill road segment, while an arc with a positive cost may correspond to an uphill segment. A negative-cost cycle, if one exists, can be used in certain cases to charge the battery to its capacity. This makes the problem more interesting and more challenging. Negative-cost cycles may arise when certain road segments have magnetic charging strips, or when the electric car has solar panels. Combined with a result of Dorfman et al. [SOSA 2024], this also provides a randomized O(n^{3.5})-time algorithm for computing minimum-cost paths between all pairs of vertices in an n-vertex graph when the battery can be externally recharged, at varying costs, at intermediate vertices.

  • 5 authors
·
Apr 26, 2025

RouteJudge: An Open Platform for Reproducible and Preference-Aware LLM Routing

We present RouteJudge, an online pairwise preference evaluation framework for LLM routing systems, with a public platform available at https://routejudge.cn. Different from model-level response evaluation, RouteJudge focuses on router-level decision quality. For each user query, multiple routing strategies independently recommend candidate models under the same model pool and budget constraints. The selected model responses are then presented to users through anonymous pairwise comparisons, and the resulting user preferences are attributed back to the routing strategies behind the compared responses. Each evaluation record stores the query, routing decisions, model responses, preference labels, cost, latency, and task metadata, enabling preference-aware, cost-aware, and task-conditioned analysis of LLM routers. To support the continuous expansion of routing methods in RouteJudge, we further release ORBIT (Optimal Routing and Budgeted Inference Toolbox), a modular and extensible toolbox that standardizes the end-to-end workflow of LLM routing. ORBIT provides unified interfaces for benchmark loading, query representation, router implementation, budget-aware evaluation, and method comparison, allowing researchers to develop and evaluate routing algorithms under consistent protocols. It also serves as the submission and integration layer for RouteJudge: researchers can implement routing methods within ORBIT, validate them on existing routing benchmarks, and submit compatible routers for online preference-based evaluation. The code of ORBIT is available at https://github.com/LAMDA-Model-Reuse/ORBIT.

  • 3 authors
·
Jun 18