We propose a new low-cost machine-learning-based methodology which assists designers in reducing the gap between the problem and the solution in the design process. Our work applies reinforcement learning (RL) to find the optimal task-oriented design solution through the construction of the design action for each task.…
Semantic segmentation remains a computationally intensive algorithm for embedded deployment even with the rapid growth of computation power. Thus efficient network design is a critical aspect especially for applications like automated driving which requires real-time performance. Recently, there has been a lot of resea…
We reduce the computational cost of Neural AutoML with transfer learning. AutoML relieves human effort by automating the design of ML algorithms. Neural AutoML has become popular for the design of deep learning architectures, however, this method has a high computation cost. To address this we propose Transfer Neural A…
In many reinforcement learning tasks, the goal is to learn a policy to manipulate an agent, whose design is fixed, to maximize some notion of cumulative reward. The design of the agent's physical structure is rarely optimized for the task at hand. In this work, we explore the possibility of learning a version of the ag…
The paper proposes a method to reliably select design algorithms for machine learning-guided design tasks.
problem Choosing the right design algorithm for machine learning-guided design tasks.
method Combining designs' predicted property values with held-out labeled data to reliably forecast characteristics of the label distributions produced by different design algorithms.
result The method is guaranteed to return design algorithms that yield successful label distributions.
Meta-learning algorithms use past experience to learn to quickly solve new tasks. In the context of reinforcement learning, meta-learning algorithms acquire reinforcement learning procedures to solve new problems more efficiently by utilizing experience from prior tasks. The performance of meta-learning algorithms depe…
Non-experts have long made important contributions to machine learning (ML) by contributing training data, and recent work has shown that non-experts can also help with feature engineering by suggesting novel predictive features. However, non-experts have only contributed features to prediction tasks already posed by e…
Deep learning models require extensive architecture design exploration and hyperparameter optimization to perform well on a given task. The exploration of the model design space is often made by a human expert, and optimized using a combination of grid search and search heuristics over a large space of possible choices…
Action-BED: Task-Driven Bayesian Experimental Design
problem Bayesian experimental design with doubly intractable objectives
method Formulating BED in terms of expected future loss (EFL) and optimising it with stochastic gradients
result Simplified and task-driven framework for BED
Reinforcement learning frameworks have introduced abstractions to implement and execute algorithms at scale. They assume standardized simulator interfaces but are not concerned with identifying suitable task representations. We present Wield, a first-of-its kind system to facilitate task design for practical reinforcem…
Automates translating natural language to Verilog for digital design.
problem Manual translation of natural language specifications to Verilog is time-consuming and error-prone.
method Fine-tuned GPT-2 to derive Verilog from English, using a dataset of design tasks.
result GPT-2 achieved 94.8% correct translation across simple and abstract design tasks.
New method optimizes experimental design for specific applications.
problem Inability to adapt causal inference methods to specific downstream applications.
method Task-specific experimental design and sampling strategies.
result Significantly reduces data requirements for achieving RCT performance.
Crowdsourced labeling recovers task types with minimal queries.
problem Labeling tasks accurately with minimal queries.
method Worker clustering, skill estimation, weighted majority voting.
result Achieves any targeted recovery accuracy with minimum queries.
New method optimizes experiments under constraints.
problem Adapting BED to dynamic constraints in real-world tasks.
method Offline pre-training of an amortized policy and posterior network with online multi-step lookahead planning.
result Significantly more informative design sequences than existing methods.
LaMBO optimizes biological sequences using autoencoders and Bayesian optimization.
problem Bayesian optimization for drug design is limited by discrete, high-dimensional decision variables.
method Jointly trains denoising autoencoder with a Gaussian process head for gradient-based optimization in latent space.
result LaMBO outperforms genetic optimizers and requires no large pretraining corpus.
AutoDIME automates design of multi-agent environments for RL.
problem Designing multi-agent environments for reinforcement learning is challenging.
method Developed intrinsic teacher rewards for multi-agent settings and evaluated them in various tasks.
result Value disagreement was found to be most consistent and effective across tasks.
MTNPs jointly model multiple correlated tasks from various sources.
problem Naive NPs can only model a single stochastic process and infer tasks independently.
method MTNPs are a hierarchical extension of NPs that jointly infer tasks from multiple stochastic processes, considering inter-task correlation and handling incomplete data.
result MTNPs successfully model multiple tasks jointly, discovering and exploiting their correlations in various real-world data.
A new framework uses text descriptions to improve protein design.
problem Lack of effective methods to incorporate textual descriptions in protein design.
method ProteinDT framework that combines text and protein structural information.
result ProteinDT significantly improves protein design accuracy and performance.
Enhances molecular design models by fine-tuning uncertainty-guided VAEs.
problem Fine-tuning pre-trained generative models for specific molecular property optimization.
method Uncertainty-guided fine-tuning of variational autoencoders in an active learning setting.
result Uncertainty-guided fine-tuning improves model performance across multiple molecular properties.
VSD efficiently learns conditional distributions for combinatorial designs.
problem Learning conditional distributions for rare combinatorial designs.
method Variational Search Distributions (VSD) using variational inference.
result VSD outperforms existing methods on real sequence-design problems.
A new framework decouples SSL tasks into VDA and VLC, revealing VDA's importance.
problem Designing effective self-supervised learning tasks without manual annotation.
method Borrowing a multi-view perspective, the paper decouples popular pretext tasks into VDA and VLC, focusing on VDA's role in feature learning.
result VDA tasks dominate SSL performance, and integrating predictions from augmented views improves overall performance.
We propose a novel method that makes use of deep neural networks and gradient decent to perform automated design on complex real world engineering tasks. Our approach works by training a neural network to mimic the fitness function of a design optimization task and then, using the differential nature of the neural netw…
Automates neural network design for diverse tasks.
problem Designing neural networks for new, under-explored domains.
method Introduces XD-Operations and a weight-sharing scheme to transform standard backbones into search spaces of operations.
result Models using XD-Operations achieve lower error than baseline and expert-designed networks on diverse tasks.
GEGL uses genetic experts to improve deep learning for molecular design.
problem Designing molecules with desired properties using deep learning.
method Genetic expert-guided learning (GEGL) framework for training DNN.
result Significantly improves molecular design, achieving high scores on benchmarks.
MCD automates counterfactual design searches for multi-modal tasks.
problem Designing for multi-objective goals and complex constraints.
method Model-agnostic counterfactual search method for multi-modal design modifications.
result MCD streamlines and automates counterfactual search, recommending effective design modifications.
A new framework designs experiments for better decision-making.
problem Suboptimal experimental designs for downstream decision-making.
method Amortized decision-aware Bayesian Experimental Design (BED) with Transformer Neural Decision Process (TNDP).
result TNDP effectively designs experiments and facilitates accurate decision-making.
Optimizes experimental designs for intractable models using mutual information bounds.
problem Finding optimal experimental designs for models with intractable data-generating distributions.
method Maximizes mutual information lower bounds parametrized by neural networks, updating network parameters and designs simultaneously.
result Framework enables experimental design for various tasks including parameter estimation and model discrimination.
Novel RL approach for molecular design using quantum mechanics.
problem Existing RL methods for molecular design are limited in scope and reward function.
method Formulation in Cartesian coordinates, direct use of quantum mechanics for reward function, translation and rotation invariant state-action space.
result Agent efficiently learns to solve molecular design tasks from scratch.
Paper proposes a new method for efficient hyperparameter optimization.
problem Challenging task of optimizing hyperparameters in machine learning.
method Sequential Uniform Design (SeqUD) strategy for adaptive and efficient exploration of hyperparameter space.
result The proposed SeqUD strategy outperforms existing methods in hyperparameter optimization.
ChemCrow enhances LLMs for chemistry tasks, automating complex chemical processes.
problem Limited access to computational chemistry tools for large-language models.
method Integrating 18 expert-designed chemistry tools into an LLM (ChemCrow).
result ChemCrow autonomously plans and executes chemical syntheses and discoveries.
Automated multi-task learning algorithm that optimizes network topology.
problem Over-sharing in multi-task learning leads to over-generalization and suboptimal performance.
method Tree-structured design space with gumbel-softmax sampling for differentiable network splitting.
result End-to-end trainable algorithm that optimizes network topology for multiple objectives across tasks.
Neural architecture search has recently attracted lots of research efforts as it promises to automate the manual design of neural networks. However, it requires a large amount of computing resources and in order to alleviate this, a performance prediction network has been recently proposed that enables efficient archit…
Designing RNA molecules has garnered recent interest in medicine, synthetic biology, biotechnology and bioinformatics since many functional RNA molecules were shown to be involved in regulatory processes for transcription, epigenetics and translation. Since an RNA's function depends on its structural properties, the RN…
Deep neural networks (DNNs) have been employed for designing wireless networks in many aspects, such as transceiver optimization, resource allocation, and information prediction. Existing works either use fully-connected DNN or the DNNs with specific structures that are designed in other domains. In this paper, we show…
TDS provides exact samples for conditional distributions in diffusion models.
problem Lack of exact sampling methods for diffusion models.
method Sequential Monte Carlo (SMC) algorithm with twisting technique.
result TDS offers more accurate approximations with fewer particles compared to heuristics.
Paper designs a lossy compression method for lossless prediction.
problem Ensuring high performance on predictive tasks with minimal data.
method Characterizes bit-rate requirements for invariant transformations, designs unsupervised objectives for neural compressors.
result Achieves substantial rate savings on ImageNet compared to JPEG without compromising classification performance.
Bayesian optimization improves molecule design by addressing three pitfalls.
problem Bayesian optimization pitfalls cause poor performance in molecule design.
method Identified and addressed three pitfalls: incorrect prior width, over-smoothing, and inadequate acquisition function maximization.
result Basic BO setup achieves highest performance on PMO benchmark.
ROBEL is an open-source platform of cost-effective robots designed for reinforcement learning in the real world. ROBEL introduces two robots, each aimed to accelerate reinforcement learning research in different task domains: D'Claw is a three-fingered hand robot that facilitates learning dexterous manipulation tasks, …
Automates graph convolutional network design for semi-supervised node classification.
problem Designing optimal graph convolutional network architectures for semi-supervised node classification.
method An automatic process to define a problem-specific architecture based on graph structure.
result The proposed method outperforms existing methods in classification performance and network compactness.
In this paper, a neural architecture search (NAS) framework is proposed for 3D medical image segmentation, to automatically optimize a neural architecture from a large design space. Our NAS framework searches the structure of each layer including neural connectivities and operation types in both of the encoder and deco…
Convolutional Neural Networks (CNNs) are successfully used for the important automotive visual perception tasks including object recognition, motion and depth estimation, visual SLAM, etc. However, these tasks are typically independently explored and modeled. In this paper, we propose a joint multi-task network design …
New framework estimates demand responses across multiple contexts with limited price variation.
problem Estimating heterogeneous linear price-response functions across multiple contexts with limited price variation and confounding.
method Meta-learning framework that identifies conditional mean of task-specific causal demand parameters given a subset of task-specific observables.
result Improved recovery of demand responses relative to standard transfer-learning baselines.
RETINA Benchmark evaluates Bayesian deep learning on diabetic retinopathy detection.
problem Reliable uncertainty quantification for deep learning models in medical applications.
method Design and evaluation of a real-world diabetic retinopathy dataset and tasks.
result Benchmarking of Bayesian deep learning methods on diabetic retinopathy detection tasks.
Torch-Points3D simplifies 3D deep learning research and reproducibility.
problem Lack of transparency and reproducibility in 3D deep learning research.
method Modular framework with quality-of-life features, standardized protocols, and open-source implementation.
result Facilitates fair and rigorous evaluation of 3D deep learning methods.
We propose an input design method for a general class of parametric probabilistic models, including nonlinear dynamical systems with process noise. The goal of the procedure is to select inputs such that the parameter posterior distribution concentrates about the true value of the parameters; however, exact computation…
A new framework for robot block-stacking tasks using causal probabilistic models.
problem Robots fail outside controlled environments due to uncertainty and lack of explicit design for all scenarios.
method Causal probabilistic framework combining causal models and probabilistic representations of noise.
result Robots can perceive, reason about, and explain their environment for block-stacking tasks.
Energy Transformer integrates attention, energy models, and associative memory.
problem Lack of clear theoretical foundations in attention mechanisms and straightforward design of energy functions in energy-based models.
method Proposes Energy Transformer, a sequence of attention layers with a specifically engineered energy function.
result Obtained strong results on graph anomaly detection and classification tasks.
New RL method designs 3D molecules with improved symmetry.
problem Lack of 3D information in molecular design.
method Symmetry-aware actor-critic architecture using spherical harmonics.
result Improves generalization and molecule quality.