Proposes MOGFNs for generating diverse Pareto optimal solutions in multi-objective optimization.
problem Generating diverse candidates in multi-objective optimization with conflicting objectives.
method Introduces MOGFNs based on GFlowNets, with two variants: MOGFN-PC and MOGFN-AL.
result Improved candidate diversity compared to existing methods.
Developing a range-aware Bayesian optimization framework for discovering diverse designs within target property windows.
problem Discovering multiple, distinct solutions within target property windows.
method Range-aware Bayesian optimization framework.
result Consistently recovers larger and more diverse sets of valid designs.
This work improves molecular design by efficiently selecting diverse candidate molecules.
problem Designing molecules that satisfy multiple conflicting objectives.
method A modular 'generate-then-optimize' framework using generative models and a novel acquisition function.
result Significant improvements in sample efficiency across synthetic and application-driven tasks.
A new algorithm optimizes multiple molecular properties efficiently.
problem Designing molecules with conflicting objectives and costly evaluations.
method Multi-objective Bayesian optimization with GFlowNets.
result HN-GFN samples diverse molecules from an approximate Pareto front.
Paper develops a new algorithm to improve screening processes.
problem Improving the efficiency and accuracy of screening processes.
method Developed a distribution-free screening algorithm called Calibrated Subset Selection (CSS).
result CSS provides near-optimal shortlists with provable diversity guarantees.
Two proteins are homologous if they have a common evolutionary origin, and the binary classification problem is to identify proteins in a candidate set that are homologous to a particular native protein. The feature (explanatory) variables available for classification are various measures of similarity of proteins. The…
Introduce a variance-weighted batch distribution for diverse sampling in diffusion models.
problem Independent sampling in diffusion models.
method Introduce a variance-weighted batch distribution.
result Sampler with a transparent probabilistic target.
Simulated annealing improves candidate optimization for multi-objective Bayesian optimization.
problem Efficient candidate optimization for multi-objective acquisition functions in Bayesian optimization.
method Simulated annealing-based approach for batch acquisition function optimization.
result Simulated annealing outperforms SLSQP in most multi-objective optimization problems, achieving higher hypervolume values and better convergence characteristics.
To cope with the high level of ambiguity faced in domains such as Computer Vision or Natural Language processing, robust prediction methods often search for a diverse set of high-quality candidate solutions or proposals. In structured prediction problems, this becomes a daunting task, as the solution space (image label…
GFlowNets sample diverse candidates in active learning.
problem Sampling diverse candidates in active learning.
method Generative Flow Networks (GFlowNets) for proportional sampling.
result GFlowNets estimate joint and marginal distributions.
OP-GFNs sample candidates in order-preserving proportion to a learned reward function.
problem Sampling diverse candidates with varying rewards in multi-objective optimization.
method Order-Preserving GFlowNets (OP-GFNs) use a learned reward function consistent with a provided order on candidates.
result Training OP-GFNs sparsifies the reward landscape, focusing on higher-ranked candidates.
Industrial recommender systems usually consist of the matching stage and the ranking stage, in order to handle the billion-scale of users and items. The matching stage retrieves candidate items relevant to user interests, while the ranking stage sorts candidate items by user interests. Thus, the most critical ability i…
We present a new active sampling method we call min-margin which trains multiple learners on bootstrap samples and then chooses the examples to label based on the candidates' minimum margin amongst the bootstrapped models. This extends standard margin sampling in a way that increases its diversity in a supervised manne…
This two-part work puts forth the idea of engaging power electronics to probe an electric grid to infer non-metered loads. Probing can be accomplished by commanding inverters to perturb their power injections and record the induced voltage response. Once a probing setup is deemed topologically observable by the tests o…
Existing MAP inference algorithms for determinantal point processes (DPPs) need to calculate determinants or conduct eigenvalue decomposition generally at the scale of the full kernel, which presents a great challenge for real-world applications. In this paper, we introduce a class of DPPs, called BwDPPs, that are char…
Improved random forest models enhance machine learning predictions.
problem Equal weights for random forest base decision trees are not optimal.
method Proposes algorithms to modify weighting strategy of regular random forest.
result Numerical results show significant improvements over regular random forest.
Super learner uses diverse screeners to improve prediction performance.
problem Performance issues with lasso screening in super learner.
method Used a diverse set of candidate screeners within the super learner ensemble.
result Diverse screeners protect against poor performance of any one screener.
We explore the use of Vector Quantized Variational AutoEncoder (VQ-VAE) models for large scale image generation. To this end, we scale and enhance the autoregressive priors used in VQ-VAE to generate synthetic samples of much higher coherence and fidelity than possible before. We use simple feed-forward encoder and dec…
New method speeds up model selection for complex scientific tasks.
problem Exhaustive model selection is computationally infeasible for large model spaces.
method Branch-and-bound algorithm with non-monotonic criteria.
result Guaranteed identification of optimal models with significant computational speedups.
Two DRL policies collaborate to solve NP-hard routing problems.
problem Solving complex routing problems like TSP without expert knowledge.
method Learning Collaborative Policies (LCP) using seeder and reviser policies.
result Improves solution quality over single-policy DRL on various NP-hard routing problems.
The paper improves recommendation systems by ensuring their outputs are reliable.
problem Recommendation systems often lack reliability guarantees for their outputs.
method The method uses a pre-trained ranking model to create a set of items with rigorous FDR control.
result The approach provides a way to guarantee the reliability of recommendation outputs.
Method identifies unknown intervention targets in structural causal models from diverse data.
problem Identifying unknown intervention targets in structural causal models from heterogeneous data.
method Two-phase approach: first recovers exogenous noises, second matches with endogenous variables.
result Proposed method uniquely identifies intervention targets under causal sufficiency assumption.
GFN-SR uses deep learning to generate diverse mathematical expressions.
problem Symbolic regression to find best mathematical expressions.
method Traversing a DAG to generate expression trees sequentially with GFlowNet.
result GFN-SR outperforms other SR algorithms in noisy data.
This research develops an evolutionary approach to discover non-Gaussian stochastic dynamical systems.
problem Discovering explicit governing equations of stochastic dynamical systems with Lévy noise from data.
method ESSR approach using genetic programming, sparse regression, and nonlocal Kramers-Moyal formulas.
result The approach effectively extracts non-Gaussian stochastic dynamical systems from sample path data.
Calculates winning probability for three candidates based on support rates and information timing.
problem Determining optimal strategy for three candidates in an election.
method Closed-form solution using support rates, political spectrum positioning, time left, and information revelation rate.
result Optimal strategy can be complex, especially for candidates in the center of a polarized electorate.
Generative adversarial networks (GANs) can implicitly learn rich distributions over images, audio, and data which are hard to model with an explicit likelihood. We present a practical Bayesian formulation for unsupervised and semi-supervised learning with GANs. Within this framework, we use stochastic gradient Hamilton…
The discovery of novel materials and functional molecules can help to solve some of society's most urgent challenges, ranging from efficient energy harvesting and storage to uncovering novel pharmaceutical drug candidates. Traditionally matter engineering -- generally denoted as inverse design -- was based massively on…
Conformal Candidate Certification advances offline MBO by certifying candidate designs with statistical guarantees.
problem Offline model-based optimization
method Conformal Candidate Certification (CCC)
result CCC certifies 16.7% of an aggressive proposal pool with 0.990 empirical coverage at nominal 0.90.
The paper addresses biased preferences in candidate selection, proposing a fair and utility-maximizing algorithm.
problem Selecting candidates for institutions with biased preferences and limited capacities.
method An algorithm that considers group fairness and true utility, proving near-optimal results under distributional assumptions.
result The proposed algorithm achieves near-optimal group fairness and near-maximal true utility, even in biased settings.
Prophet predicts device qualities for FL to reduce training latency.
problem Bad candidate-selection leads to large training and reporting latency in FL.
method Each device predicts its own training and reporting phases using LSTM. The algorithm is implemented with DRL.
result The proposed approach outperforms reactive algorithms in real-world experiments.
Bayesian optimization uses triangulation candidates for better performance.
problem Non-convex and multi-modal optimization challenges in Bayesian optimization.
method Proposes using Delaunay triangulation candidates for discrete search over continuous optimization.
result Triangulation candidates outperform numerically optimized and random alternatives.
Bayesian algorithm discovers synthetic routes from target molecules.
problem Identifying synthetic routes from desired products.
method Bayesian inference and combinatorial optimization.
result Algorithm rediscovered 80.3% and 50.0% of known synthetic routes.
To a branched cover between closed, connected and orientable surfaces one associates a "branch datum", which consists of the two surfaces, the total degree d, and the partitions of d given by the collections of local degrees over the branching points. This datum must satisfy the Riemann-Hurwitz formula. A "candidate su…
Paper analyzes and improves GPSP algorithm for block sparse signal recovery.
problem Recovering block sparse signals from noisy data.
method Group Projected Subspace Pursuit (GPSP) with convergence analysis and feature selection criteria.
result GPSP exactly recovers true block sparse signals under certain conditions.
Bayesian optimization improves efficiency with semi-supervised learning.
problem Efficiently find global optima of expensive functions.
method Density ratio estimation combined with semi-supervised learning.
result Improved accuracy in identifying global optima with unlabeled data.
Online news recommender systems aim to address the information explosion of news and make personalized recommendation for users. In general, news language is highly condensed, full of knowledge entities and common sense. However, existing methods are unaware of such external knowledge and cannot fully discover latent k…
A new method reduces variance in training early-stage rankers for large-scale search systems.
problem Training early-stage rankers for large-scale search systems is challenging due to exploding variance in policy gradient methods.
method Proposes credit-assigned policy gradient (CA-PG) to mitigate variance in training early-stage rankers.
result CA-PG significantly reduces variance in training early-stage rankers compared to vanilla policy gradient.
MOBO-OSD optimizes multi-objective functions using orthogonal search directions.
problem Challenging multi-objective optimization problem.
method Solves multiple constrained optimization problems along orthogonal search directions.
result Consistently outperforms state-of-the-art algorithms.
The flourish of deep learning frameworks and hardware platforms has been demanding an efficient compiler that can shield the diversity in both software and hardware in order to provide application portability. Among the existing deep learning compilers, TVM is well known for its efficiency in code generation and optimi…
Unified framework uses all data to improve multiple testing efficiency.
problem Improving predictive uncertainty control in decision-making.
method Uses all available data (null, alternative, unlabelled) for score construction and calibration.
result Significantly improves power and adaptability across diverse scenarios.
Bayesian-guided method selects optimal design from large candidate pool.
problem Optimizing complex structures with high-fidelity evaluations.
method Bayesian active learning with surrogate modeling.
result Optimal design identified with minimal oracle evaluations.
This paper proposes a method for multi-class classification problems, where the number of classes K is large. The method, referred to as Candidates vs. Noises Estimation (CANE), selects a small subset of candidate classes and samples the remaining classes. We show that CANE is always consistent and computationally effi…
DINOSAUR improves retrieval by accounting for embedding uncertainty in recommender systems.
problem Retrieval bias towards popular items due to noisy embeddings.
method Samples multiple embeddings per item and queries with sampled embeddings to account for uncertainty.
result Improves coverage of long-tail niche content without sacrificing recall.
Paper proposes SCQ and P-TAMS for structured OOD testing in high-stakes ML.
problem Difficulty of incorporating auxiliary information in traditional conformal methods.
method Structure-adaptive conformal q-value (SCQ) and pseudo-score-guided transductive automated model selection (P-TAMS).
result Unified framework controls false discovery rate and improves power across diverse settings.
Image classification problems are typically addressed by first collecting examples with candidate labels, second cleaning the candidate labels manually, and third training a deep neural network on the clean examples. The manual labeling step is often the most expensive one as it requires workers to label millions of im…
Improves algorithm selection for thousands of candidates using dyadic features.
problem Selecting the best algorithm from a large set of candidates for specific problems.
method Proposes extreme algorithm selection (XAS) with dyadic feature representation.
result Improves significantly over current state of the art in various metrics.
Generates natural product-like compounds using GPT models.
problem Challenges in generating and evaluating natural product-like compounds.
method Trained GPT-based chemical language models on natural product dataset.
result Generated compounds have similar distribution to natural products.
Brain-computer interfaces (BCIs) have enabled prosthetic device control by decoding motor movements from neural activities. Neural signals recorded from cortex exhibit nonstationary property due to abrupt noises and neuroplastic changes in brain activities during motor control. Current state-of-the-art neural signal de…