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Found 21 papers, 13 papers with code
Towards DNA-Encoded Library Generation with GFlowNets
DNA-encoded libraries (DELs) are a powerful approach for rapidly screening large numbers of diverse compounds.
PhyloGFN: Phylogenetic inference with generative flow networks
Phylogenetics is a branch of computational biology that studies the evolutionary relationships among biological entities.
Amortizing intractable inference in large language models
Autoregressive large language models (LLMs) compress knowledge from their training data through next-token conditional distributions.
Pre-Training and Fine-Tuning Generative Flow Networks
However, as they are typically trained from a given extrinsic reward function, it remains an important open challenge about how to leverage the power of pre-training and train GFlowNets in an unsupervised fashion for efficient adaptation to downstream tasks.
Thompson sampling for improved exploration in GFlowNets
Generative flow networks (GFlowNets) are amortized variational inference algorithms that treat sampling from a distribution over compositional objects as a sequential decision-making problem with a learnable action policy.
BatchGFN: Generative Flow Networks for Batch Active Learning
We introduce BatchGFN -- a novel approach for pool-based active learning that uses generative flow networks to sample sets of data points proportional to a batch reward.
Multi-Fidelity Active Learning with GFlowNets
For example, in scientific discovery, we are often faced with the problem of exploring very large, high-dimensional spaces, where querying a high fidelity, black-box objective function is very expensive.
Stochastic Generative Flow Networks
Generative Flow Networks (or GFlowNets for short) are a family of probabilistic agents that learn to sample complex combinatorial structures through the lens of "inference as control".
GFlowNet-EM for learning compositional latent variable models
Latent variable models (LVMs) with discrete compositional latents are an important but challenging setting due to a combinatorially large number of possible configurations of the latents.
GFlowNets for AI-Driven Scientific Discovery
However, in order to truly leverage large-scale data sets and high-throughput experimental setups, machine learning methods will need to be further improved and better integrated in the scientific discovery pipeline.
Consistent Training via Energy-Based GFlowNets for Modeling Discrete Joint Distributions
We hypothesize that this can lead to incompatibility between the inductive optimization biases in training $R$ and in training the GFlowNet, potentially leading to worse samples and slow adaptation to changes in the distribution.
GFlowOut: Dropout with Generative Flow Networks
These methods face two important challenges: (a) the posterior distribution over masks can be highly multi-modal which can be difficult to approximate with standard variational inference and (b) it is not trivial to fully utilize sample-dependent information and correlation among dropout masks to improve posterior estimation.
Multi-Objective GFlowNets
We study the problem of generating diverse candidates in the context of Multi-Objective Optimization.
Learning GFlowNets from partial episodes for improved convergence and stability
Generative flow networks (GFlowNets) are a family of algorithms for training a sequential sampler of discrete objects under an unnormalized target density and have been successfully used for various probabilistic modeling tasks.
Graph-Based Active Machine Learning Method for Diverse and Novel Antimicrobial Peptides Generation and Selection
As antibiotic-resistant bacterial strains are rapidly spreading worldwide, infections caused by these strains are emerging as a global crisis causing the death of millions of people every year.
Biological Sequence Design with GFlowNets
In this work, we propose an active learning algorithm leveraging epistemic uncertainty estimation and the recently proposed GFlowNets as a generator of diverse candidate solutions, with the objective to obtain a diverse batch of useful (as defined by some utility function, for example, the predicted anti-microbial activity of a peptide) and informative candidates after each round.
Trajectory balance: Improved credit assignment in GFlowNets
Generative flow networks (GFlowNets) are a method for learning a stochastic policy for generating compositional objects, such as graphs or strings, from a given unnormalized density by sequences of actions, where many possible action sequences may lead to the same object.
Flow Network based Generative Models for Non-Iterative Diverse Candidate Generation
Using insights from Temporal Difference learning, we propose GFlowNet, based on a view of the generative process as a flow network, making it possible to handle the tricky case where different trajectories can yield the same final state, e. g., there are many ways to sequentially add atoms to generate some molecular graph.
DEUP: Direct Epistemic Uncertainty Prediction
Epistemic Uncertainty is a measure of the lack of knowledge of a learner which diminishes with more evidence.
DROCC: Deep Robust One-Class Classification
Classical approaches for one-class problems such as one-class SVM and isolation forest require careful feature engineering when applied to structured domains like images.
Ranked #3 on
Anomaly Detection
on UEA time-series datasets
Proximal Policy Optimization for Improved Convergence in IRGAN
IRGAN is an information retrieval (IR) modeling approach that uses a theoretical minimax game between a generative and a discriminative model to iteratively optimize both of them, hence unifying the generative and discriminative approaches.
