Catalyst.RL accelerates RL research with efficient training.
problem Efficient reinforcement learning training in complex environments.
method Open-source PyTorch framework with distributed training and RL algorithms.
result Catalyst.RL achieved 2nd place in a computationally expensive RL challenge.
We introduce a generic scheme for accelerating gradient-based optimization methods in the sense of Nesterov. The approach, called Catalyst, builds upon the inexact accelerated proximal point algorithm for minimizing a convex objective function, and consists of approximately solving a sequence of well-chosen auxiliary p…
New method uses machine learning to analyze catalyst reactions.
problem Understanding complex reaction mechanisms in catalytic materials.
method Combining transient kinetics and machine learning.
result Correct estimates of micro-kinetic coefficients and mechanism.
Despite the recent progress in deep reinforcement learning field (RL), and, arguably because of it, a large body of work remains to be done in reproducing and carefully comparing different RL algorithms. We present catalyst.RL, an open source framework for RL research with a focus on reproducibility and flexibility. Ma…
Large GNNs trained with Graph Parallelism improve atomic simulation accuracy.
problem Training memory-intensive GNNs for high-order atomic interactions.
method Graph Parallelism to distribute graphs across GPUs.
result Graph-parallelized models achieve state-of-the-art results on catalyst datasets.
Accelerates stochastic optimization for convex and strongly convex problems.
problem Improving convergence rates in noisy stochastic optimization.
method Extends Catalyst approach to stochastic settings, handles inexact proximal operators.
result Achieves optimal worst-case complexity for noise-dominated regions.
In conventional chemisorption model, the d-band center theory (augmented sometimes with the upper edge of d-band for imporved accuarcy) plays a central role in predicting adsorption energies and catalytic activity as a function of d-band center of the solid surfaces, but it requires density functional calculations that…
Unified framework for variance reduction to solve monotone operator problems.
problem Large-scale monotone inclusion problems with finite sum structure.
method Developed a general framework for variance-reduced forward-backward splitting algorithms.
result Linear convergence rate under mild assumptions, with Catalyst acceleration and asynchronous implementation.
A new method for distributed optimization reduces communication rounds without minibatches.
problem Efficient training in distributed machine learning with different data distributions.
method A primal-dual method (GA-MSGD) applied to the Lagrangian of distributed optimization.
result Achieves linear convergence in communication rounds for strongly convex objectives.
Polynomial chaos surrogates quantify epistemic uncertainty in AI-driven scientific models.
problem Uncertainty in reward estimates hinders interpretability in sequential generative models.
method Fit polynomial chaos expansions to trained models to propagate epistemic uncertainty and quantify sensitivity.
result Interpretable decomposition of reward components driving generative decisions.
The paper studies geometric properties of Φ(3)-harmonic maps and proves Liouville type results.
problem Exploring geometric properties of Φ(3)-harmonic maps. method Unified geometric analytic methods, first and second variation formulas, stress-energy tensor, conservation law, monotonicity formula, asymptotic assumption, extrinsic average variational method.
result Proves Liouville type results for Φ(3)-harmonic maps. Company mergers and acquisitions are often perceived to act as catalysts for corporate growth in free markets systems: it is conventional wisdom that those activities lead to better and more efficient markets. However, the broad adoption of this perception into corporate strategy is prone to result in a less diverse an…
Precision farming uses data analysis to optimize crop management.
problem Meeting increased food demand with sustainable practices.
method Statistical tools and machine learning for pattern recognition and prediction.
result Optimized farming processes in real-time reduce resource use.
We propose a generic framework based on a new stochastic variance-reduced gradient descent algorithm for accelerating nonconvex low-rank matrix recovery. Starting from an appropriate initial estimator, our proposed algorithm performs projected gradient descent based on a novel semi-stochastic gradient specifically desi…
New algorithm speeds up solving saddle-point problems with large condition numbers.
problem Solving saddle-point problems with large condition numbers.
method Proposes a stochastic proximal point algorithm that accelerates variance reduction methods.
result Reduces logarithmic term of condition number for iteration complexity.
Recently, locality sensitive hashing (LSH) was shown to be effective for MIPS and several algorithms including L2-ALSH, Sign-ALSH and Simple-LSH have been proposed. In this paper, we introduce the norm-range partition technique, which partitions the original dataset into sub-datasets containing items with similar 2-…
We introduce a generic scheme to solve nonconvex optimization problems using gradient-based algorithms originally designed for minimizing convex functions. Even though these methods may originally require convexity to operate, the proposed approach allows one to use them on weakly convex objectives, which covers a larg…
Study shows activist board representation improves Japanese companies' performance.
problem Lack of innovation and improvement in Japanese companies.
method Examined two Japanese companies with activist board representation, analyzing performance metrics.
result Companies with activist board representation experienced significant improvements in stock returns and operational metrics.
Study detects endogenous bubbles in meme stocks using CI.
problem Detecting endogenous bubbles in meme stocks.
method Used Log-Periodic Power Law (LPPL) Confidence Indicator (CI).
result CI detected numerous bubbles in meme stocks but struggled with predicting exogenous rallies.
We study optimal buying and selling strategies in target zone models. In these models the price is modeled by a diffusion process which is reflected at one or more barriers. Such models arise for example when a currency exchange rate is kept above a certain threshold due to central bank intervention. We consider the op…
Deep RL finds efficient pathways for sugar to chemicals.
problem Finding efficient pathways from sugar to value-added chemicals.
method Markov decision process with deep reinforcement learning.
result Promising preliminary results in efficient biomass conversion.
New model predicts chemical reactions without human input.
problem Automating retrosynthetic planning in chemistry.
method Combined Molecular Transformer and hyper-graph exploration.
result Improved accuracy in predicting reactants, reagents, solvents, and catalysts.
SAPPHIRE tackles ill-conditioned rERM problems with faster convergence.
problem Ill-conditioned objectives and non-smooth regularizers in rERM.
method Sketch-based preconditioning and scaled proximal mapping.
result Achieves condition-number-free linear convergence.
Deep filtering improves robustness of models from noisy, sparse data.
problem Challenges in understanding microscopic interactions from noisy, sparse, and biased data.
method Statistical approach based on deep filtering of nonlinear feature networks.
result Physicochemical models are more robust, transparent, and generalize better.
Study examines how war impacts financial entropy.
problem Analyzing sudden events' impact on financial markets.
method Investigates entropy changes in Polish stock market data.
result Entropy analysis reveals market changes due to extreme events.
Two new algorithms improve federated optimization under second-order similarity.
problem Federated learning under communication constraints and second-order similarity.
method SVRP and Catalyzed SVRP algorithms combining proximal point evaluations, client sampling, and variance reduction.
result Achieves superior performance and uniformly improves upon existing algorithms for federated optimization under second-order similarity and strong convexity.
Laplace approximation improves deep learning efficiency without sacrificing performance.
problem Bayesian deep learning's practical implementation and efficiency.
method Review and implementation of Laplace approximation (LA) in PyTorch.
result Laplace approximation is competitive with popular alternatives in performance but significantly more efficient.
Paper proposes ExsdHawkes to model LOBs, capturing volatility dynamics.
problem Modeling volatility signature plots in LOBs with high-frequency trading dynamics.
method Extended State-Dependent Hawkes Process (ExsdHawkes) with relaxed constraints.
result ExsdHawkes uniquely reproduces volatility signature plots, identifying MLOs as catalysts.
Advances deep learning for financial model calibration.
problem Calibrating rough stochastic volatility models.
method Two-step approach: deep learning for pricing map, traditional methods for model parameters.
result Demonstrates a new neural network-based calibration method for rough volatility models.
AutoML struggles with climate change data, but offers potential improvements.
problem Improving machine learning for climate change applications.
method Benchmarked AutoML libraries on climate modeling, wind power, and catalyst discovery.
result Current AutoML techniques fail to surpass human-designed models in climate change applications.
Gryffin optimizes categorical variables in materials design, leveraging expert knowledge.
problem Optimizing categorical variables in complex design choices like molecule selection.
method Bayesian optimization with smooth approximations to categorical distributions, incorporating expert knowledge.
result Gryffin accelerates discovery of promising molecules and materials, highlighting relevant correlations.
Deep learning detects face swapping with high accuracy and uncertainty.
problem Photo-realistic face swapping without consent.
method Deep transfer learning for face swapping detection, human subject rankings for comparison.
result True positive rates >96% with minimal false alarms, uncertainty provided for each prediction.
Soft-constrained PINN solves ODEs with minimal data, improving efficiency and robustness.
problem Sparse and noisy data in experiments and simulations.
method Soft-constrained Physics-informed Neural Network (PINN) with minimal labeled data.
result Soft-constrained PINN reduces need for labeled data and achieves strong generalization.