Protein Thoughts interprets protein interactions with clear reasoning, improving prediction accuracy.
problem Lack of mechanistic justification in protein-protein interaction predictions.
method Interpretable search problem reformulation, hypothesis-guided entropy-regularized Tree-of-Thoughts search, embedding-space flow matching.
result Improves mean best-binder rank from 47.7 to 11.2 on SHS148k benchmark.
NeuroMatch efficiently matches subgraphs in large graphs using neural networks.
problem Determining the presence and location of a query graph in a large target graph.
method NeuroMatch decomposes graphs into subgraphs, embeds them using graph neural networks, and matches them directly in the embedding space.
result NeuroMatch is 100x faster and 18% more accurate than existing methods.
Instance embeddings are an efficient and versatile image representation that facilitates applications like recognition, verification, retrieval, and clustering. Many metric learning methods represent the input as a single point in the embedding space. Often the distance between points is used as a proxy for match confi…
Centroids Matching tackles catastrophic forgetting by matching feature vectors to class centroids.
problem Catastrophic forgetting in neural networks when learning new tasks.
method Centroids Matching operates in the embedding space of neural network features, matching these vectors to class centroids.
result Centroids Matching achieves high accuracy on all tasks without using external memory, even in realistic scenarios.
We address the problem of unsupervised domain adaptation (UDA) by learning a cross-domain agnostic embedding space, where the distance between the probability distributions of the two source and target visual domains is minimized. We use the output space of a shared cross-domain deep encoder to model the embedding spac…
Topological Flow Matching: A Generative Modeling Framework for Structured Spaces
problem Handling structured spaces in generative modeling
method Introducing topological flow matching
result Captures the structure of the underlying domain while preserving desirable properties
Flow matching KL divergence bound derived for smooth distributions.
problem Estimating smooth distributions efficiently.
method Deterministic upper bound on KL divergence derived from flow-matching loss.
result Flow matching achieves nearly minimax-optimal efficiency under TV distance.
Closed-form flow matching yields similar performance to stochastic version, improving model performance.
problem Understanding why flow matching models generalize well.
method Empirical analysis and comparison of stochastic and closed-form flow matching losses.
result Closed-form flow matching can improve model performance.
New methods use vector search and nearest-neighbor matching for policy learning in causal inference.
problem Learning optimal policies in causal inference with limited data.
method RAG-based policy learning with vector search and nearest-neighbor matching.
result The methods bound the within-candidate choice regret and evaluate the one-step method directly as a policy.
CatFlow uses variational flow matching for efficient graph generation.
problem Graph generation tasks, especially for categorical data.
method Variational flow matching for categorical data, computationally efficient.
result CatFlow achieves strong results on graph generation tasks.
Flow Matching improves statistical guarantees through kernel density estimation.
problem Improving statistical guarantees for generative models.
method Connecting Flow Matching to kernel density estimation and verifying optimal rates of convergence.
result Flow Matching achieves optimal rates up to logarithmic factors for large networks and on lower-dimensional manifolds.
Paper proves higher-order flow matching preserves optimality in generative modeling.
problem Theoretical guarantees for higher-order flow matching in generative modeling.
method Neural network approximations with controlled depth, width, and sparsity.
result Proves worst case optimality for second-order flow matching.
RFM improves CNFs by adding a boundary constraint term and matching velocity fields.
problem Flow matching on constrained domains leads to unnatural samples.
method RFM adds a boundary constraint term and matches velocity fields in a simulation-free manner.
result RFM achieves comparable or better results on standard image benchmarks and produces high-quality samples.
Improved sampling efficiency for molecular systems using path gradients after Flow Matching.
problem Improving sampling efficiency for complex molecular systems.
method Hybrid approach combining Flow Matching and path gradients.
result Up to a threefold increase in sampling efficiency for molecular systems.
The paper justifies time-dependent loss reweighting schemes for flow matching and diffusion models.
problem Theoretical justification for time-dependent loss reweighting schemes in flow matching and diffusion models.
method Clarifies that the loss can depend on both time and state, and shows theoretical justification for time-dependent loss weighting schemes.
result Time-dependent loss weighting schemes are theoretically justified for Generator Matching and Edit Flows.
This work interprets diffusion score matching using normalizing flows for better model training and evaluations.
problem Limitations of diffusion score matching when dealing with certain types of distributions.
method The approach involves interpreting the diffusion matrix using normalizing flows to provide better interpretation and usage of diffusion score matching.
result Diffusion score matching is equivalent to the original score matching evaluated in the transformed space defined by the normalizing flow.
In this paper, we propose deep learning techniques for econometrics, specifically for causal inference and for estimating individual as well as average treatment effects. The contribution of this paper is twofold: 1. For generalized neighbor matching to estimate individual and average treatment effects, we analyze the …
Flow Matching enables robust training of CNFs with various probability paths.
problem Training Continuous Normalizing Flows (CNFs) at large scales.
method Flow Matching (FM) is a simulation-free approach for training CNFs by regressing vector fields of conditional probability paths.
result Flow Matching with diffusion paths yields more robust and stable training compared to diffusion-based methods.
New error bounds for flow matching methods using deterministic sampling.
problem Improving the accuracy of flow matching methods for generating probability distributions.
method Derived error bounds for flow matching methods under deterministic sampling conditions.
result Presented error bounds for flow matching methods using L2 loss and regularity conditions. LFM learns a sequence of smaller models to generate data from noise.
problem Learning continuous, invertible flows between distributions.
method Stepwise Local Flow Matching (LFM) model, matching diffusion processes up to time-step size.
result LFM achieves competitive generative performance compared to Flow Matching.
Flow matching adapts to manifold structures without diffusion.
problem Theoretical understanding of flow matching in manifold-supported settings.
method Flow matching with linear interpolation on smooth manifolds, analyzing velocity field and density estimator.
result Non-asymptotic convergence guarantee and statistical consistency of flow matching on manifolds.
Unified framework for continuous-state discrete flow matching models.
problem Discrete generative modeling with continuous probabilities.
method Introducing α-Flow, a family of CS-DFM models based on information geometry. result Optimal flow matching loss for α-flow minimizes generalized kinetic energy. DFM simplifies CNF training without interpolants.
problem Efficiently training CNFs with computationally expensive ODE solving.
method DFM optimizes dual vector fields for bijective transformations.
result DFM outperforms CNF trained with FM or ML objectives.
CFMI improves missing data imputation across various data types and dimensions.
problem Imputing missing data in complex, high-dimensional datasets.
method Combines normalising flows, flow-matching, and shared conditional modelling.
result Outperforms traditional and modern imputation methods across multiple metrics.
Generative model for condensed matter using Riemannian flow matching.
problem Sampling equilibrium distributions in condensed-phase systems.
method Riemannian flow matching to incorporate periodicity, using Hutchinson's trace estimator and cumulant expansion for bias correction.
result Highly accurate free energy estimates on monatomic ice without multistage estimators.
A new method learns straight trajectories in one step for optimal flow matching.
problem Learning flows with straight trajectories for fast inference.
method Optimal Flow Matching (OFM) approach using convex functions for vector fields.
result Recovering straight OT displacements in just one FM step for quadratic transport.
Study the embedding space of a Hopf link in 3D and 3-manifolds.
problem Homotopy equivalence of embedding spaces of Hopf links.
method Prove homotopy equivalence using subspace inclusions and manifold properties.
result Embedding spaces are homotopy equivalent to specific 3-manifolds.
GLASS Flows improves flow and diffusion model performance by optimizing sampling efficiency.
problem Efficiency bottleneck in sampling Markov transitions for flow and diffusion models.
method Introduces GLASS Flows, a new sampling paradigm that simulates a 'flow matching model within a flow matching model' to sample Markov transitions efficiently.
result Eliminates the trade-off between stochastic evolution and efficiency in large-scale text-to-image models.
Abstract notes on generative modeling techniques.
problem Improving generative modeling techniques.
method Connections between optimal transport and Schrödinger bridge, flow matching.
result Showed connections between mathematical principles and generative modeling techniques.
Improved image generation through iterative flow matching to reduce hallucinations.
problem Hallucinations in image generation models.
method Iterative flow matching to refine and correct paths in generative models.
result Enhanced generative modeling with reduced unrealistic images.
A new training method for efficient Boltzmann generators.
problem Training equivariant continuous normalizing flows (CNFs) is computationally expensive.
method Equivariant flow matching, based on optimal transport flow matching.
result Equivariant flow matching yields more efficient flows with shorter integration paths.
EnFF uses flows to speed up DA in high dimensions.
problem Efficiently assimilating noisy data in high-dimensional systems.
method Flow Matching (FM) for training-free, scalable data assimilation.
result EnFF accelerates DA with improved cost-accuracy tradeoffs and scalability.
Study rational homotopy types of embedding spaces of manifolds.
problem Understanding the rational homotopy types of embedding spaces of manifolds.
method Express rational homotopy types through combinatorially defined L-infinity algebras of diagrams.
result Expressed the rational homotopy type of connected components of embedding spaces.
The paper matches features in images using centro-affine invariants and heat flow.
problem Feature matching in images with invariant algorithms.
method Developed an invariant algorithm using centro-affine invariants and heat flow.
result The algorithm compares favorably with existing feature matching methods.
Flow matching improves synthetic data generation for tabular data.
problem Generating synthetic tabular data while preserving privacy.
method Flow matching (FM) and Variational FM for tabular data synthesis.
result FM outperforms diffusion baselines in tabular data synthesis.
Although modern recommendation systems can exploit the structure in users' item feedback, most are powerless in the face of new users who provide no structure for them to exploit. In this paper we introduce ImplicitCE, an algorithm for recommending items to new users during their sign-up flow. ImplicitCE works by trans…
CPFM integrates dimensionality reduction and reconstruction with flow networks.
problem Learning coupled continuous flows for data and embeddings.
method Coupled flow matching framework with Gromov-Wasserstein objective and dual-conditional flow network.
result CPFM preserves and recovers residual information in latent space.
Develops Hamiltonian Score Matching and Generative Flows for machine learning.
problem Estimating score functions and designing generative models.
method Introduces Hamiltonian velocity predictors (HVPs) for score matching and generative flows.
result Hamiltonian Generative Flows (HGFs) rival leading generative modeling techniques.
We extend rectified flow to infinite-dimensional Hilbert space.
problem Extending rectified flow to infinite-dimensional spaces.
method Established a rigorous functional formulation using the superposition principle for continuity equations.
result Demonstrated superior performance compared to existing models.
Improved flow matching using Gaussian processes for better sample quality.
problem Training continuous normalizing flows with reduced variance and flexibility.
method Extending conditional flow matching to streams modeled with Gaussian processes.
result Improved quality of generated samples with moderate computational cost.
AMES framework selects optimal embedding space for latent graph inference.
problem No principled method for choosing the best embedding space for latent graph inference.
method Differentiable AMES framework using backpropagation to select optimal embedding space.
result Consistently achieves comparable or superior results across multiple datasets.
RG-VFM extends VFM to curved manifolds for better material and protein design.
problem Designing materials and proteins on curved manifolds.
method Riemannian Gaussian Variational Flow Matching (RG-VFM) for generative modeling on manifolds.
result RG-VFM more effectively captures manifold structure and improves performance.
New method reduces discrete flow transitions, improving perplexity estimation.
problem Stochasticity in discrete paths makes rectification strategies ineffective.
method Dynamic-optimal-transport-like minimization objective with minibatch strategies.
result 32 times reduction in transitions for same perplexity.
New method improves generative modeling on convex domains using regularized mirror maps and Student-t priors.
problem Challenges in generative modeling on convex domains with heavy-tailed targets.
method Mirror Flow Matching with regularized mirror maps and Student-t priors.
result Empirically outperforms baselines and achieves competitive sample quality.
Paper studies flow on hyperbolic surfaces to match boundary lengths.
problem Matching boundary lengths of hyperbolic surfaces.
method Combinatorial Yamabe flow on hyperbolic bordered surfaces.
result Flow converges exponentially to a surface with equal boundary lengths.
New probability path model improves flow matching forecasting performance.
problem Impact of probability path model selection on flow matching forecasting performance.
method Proposed a novel probability path model designed to improve forecasting performance.
result Our model achieves faster convergence during training and improved predictive performance compared to existing models.
This research optimizes plate structures to reduce vibrations in vehicles and aircraft.
problem Minimizing structural vibrations in engineering systems for improved passenger comfort.
method Guided flow matching design optimization integrating generative flow matching and surrogate model.
result Generated plate designs with reduced vibrations compared to random search and other methods.
The paper explores rectified flows and their relation to optimal transport.
problem Understanding the connection between rectified flows and optimal transport.
method Investigates invariance properties, explicit constructions, and analysis of rectified flows in various settings.
result Rectified flows, when gradient constrained, do not generally solve optimal transport problems.