Bayesian optimization offers a sample-efficient framework for navigating the exploration-exploitation trade-off in the vast design space of biological sequences. Whereas it is possible to optimize the various properties of interest jointly using a multi-objective acquisition function, such as the expected hypervolume improvement (EHVI), this approach does not account for objectives with a hierarchical dependency structure. We consider a common use case where some regions of the Pareto frontier are prioritized over others according to a specified $\textit{partial ordering}$ in the objectives. For instance, when designing antibodies, we would like to maximize the binding affinity to a target antigen only if it can be expressed in live cell culture -- modeling the experimental dependency in which affinity can only be measured for antibodies that can be expressed and thus produced in viable quantities. In general, we may want to confer a partial ordering to the properties such that each property is optimized conditioned on its parent properties satisfying some feasibility condition. To this end, we present PropertyDAG, a framework that operates on top of the traditional multi-objective BO to impose this desired ordering on the objectives, e.g. expression $\rightarrow$ affinity. We demonstrate its performance over multiple simulated active learning iterations on a penicillin production task, toy numerical problem, and a real-world antibody design task.

Canva uses a variety of machine learning (ML) models, such as recommender systems, information retrieval, attribution models, and natural language processing for various applications. A typical problem is the amount of time and engineering effort in choosing a set of optimal hyperparameters and configurations used to optimize a learning algorithm's performance. Hyperparameters are parameters set before a model's learning procedure begins. Hyperparameters, such as the learning rate and batch sizes, control the learning process and affect the predictive performance. Some hyperparameters might also have a significant impact on model size, inference throughput, latency, or other considerations. The number of hyperparameters in a model and their characteristics form a search space of possible combinations to optimize.

Monte Carlo methods have become increasingly relevant for control of non-differentiable systems, approximate dynamics models and learning from data. These methods scale to high-dimensional spaces and are effective at the non-convex optimizations often seen in robot learning. We look at sample-based methods from the perspective of inference-based control, specifically posterior policy iteration. From this perspective, we highlight how Gaussian noise priors produce rough control actions that are unsuitable for physical robot deployment. Considering smoother Gaussian process priors, as used in episodic reinforcement learning and motion planning, we demonstrate how smoother model predictive control can be achieved using online sequential inference. This inference is realized through an efficient factorization of the action distribution and a novel means of optimizing the likelihood temperature to improve importance sampling accuracy. We evaluate this approach on several high-dimensional robot control tasks, matching the sample efficiency of prior heuristic methods while also ensuring smoothness. Simulation results can be seen at https://monte-carlo-ppi.github.io/.

The fundamental challenge in causal induction is to infer the underlying graph structure given observational and/or interventional data. Most existing causal induction algorithms operate by generating candidate graphs and evaluating them using either score-based methods (including continuous optimization) or independence tests. In our work, we instead treat the inference process as a black box and design a neural network architecture that learns the mapping from both observational and interventional data to graph structures via supervised training on synthetic graphs. The learned model generalizes to new synthetic graphs, is robust to train-test distribution shifts, and achieves state-of-the-art performance on naturalistic graphs for low sample complexity.

Multi-mobile robot systems show great advantages over one single robot in many applications. However, the robots are required to form desired task-specified formations, making feasible motions decrease significantly. Thus, it is challenging to determine whether the robots can pass through an obstructed environment under formation constraints, especially in an obstacle-rich environment. Furthermore, is there an optimal path for the robots? To deal with the two problems, a novel graphbased motion planner is proposed in this paper. A mapping between workspace and configuration space of multi-mobile robot systems is first built, where valid configurations can be acquired to satisfy both formation constraints and collision avoidance. Then, an undirected graph is generated by verifying connectivity between valid configurations. The breadth-first search method is employed to answer the question of whether there is a feasible path on the graph. Finally, an optimal path will be planned on the updated graph, considering the cost of path length and formation preference. Simulation results show that the planner can be applied to get optimal motions of robots under formation constraints in obstacle-rich environments. Additionally, different constraints are considered.

The robotic locomotion community is interested in optimal gaits for control. Based on the optimization criterion, however, there could be a number of possible optimal gaits. For example, the optimal gait for maximizing displacement with respect to cost is quite different from the maximum displacement optimal gait. Beyond these two general optimal gaits, we believe that the optimal gait should deal with various situations for high-resolution of motion planning, e.g., steering the robot or moving in "baby steps." As the step size or steering ratio increases or decreases, the optimal gaits will slightly vary by the geometric relationship and they will form the families of gaits. In this paper, we explored the geometrical framework across these optimal gaits having different step sizes in the family via the Lagrange multiplier method. Based on the structure, we suggest an optimal locus generator that solves all related optimal gaits in the family instead of optimizing each gait respectively. By applying the optimal locus generator to two simplified swimmers in drag-dominated environments, we verify the behavior of the optimal locus generator.

Map Space Exploration is the problem of finding optimized mappings of a Deep Neural Network (DNN) model on an accelerator. It is known to be extremely computationally expensive, and there has been active research looking at both heuristics and learning-based methods to make the problem computationally tractable. However, while there are dozens of mappers out there (all empirically claiming to find better mappings than others), the research community lacks systematic insights on how different search techniques navigate the map-space and how different mapping axes contribute to the accelerator's performance and efficiency. Such insights are crucial to developing mapping frameworks for emerging DNNs that are increasingly irregular (due to neural architecture search) and sparse, making the corresponding map spaces much more complex. In this work, rather than proposing yet another mapper, we do a first-of-its-kind apples-to-apples comparison of search techniques leveraged by different mappers. Next, we extract the learnings from our study and propose two new techniques that can augment existing mappers -- warm-start and sparsity-aware -- that demonstrate speedups, scalability, and robustness across diverse DNN models.

Federated Learning is a modern decentralized machine learning technique where user equipments perform machine learning tasks locally and then upload the model parameters to a central server. In this paper, we consider a 3-layer hierarchical federated learning system which involves model parameter exchanges between the cloud and edge servers, and the edge servers and user equipment. In a hierarchical federated learning model, delay in communication and computation of model parameters has a great impact on achieving a predefined global model accuracy. Therefore, we formulate a joint learning and communication optimization problem to minimize total model parameter communication and computation delay, by optimizing local iteration counts and edge iteration counts. To solve the problem, an iterative algorithm is proposed. After that, a time-minimized UE-to-edge association algorithm is presented where the maximum latency of the system is reduced. Simulation results show that the global model converges faster under optimal edge server and local iteration counts. The hierarchical federated learning latency is minimized with the proposed UE-to-edge association strategy.

We propose a federated learning method with weighted nodes in which the weights can be modified to optimize the model's performance on a separate validation set. The problem is formulated as a bilevel optimization where the inner problem is a federated learning problem with weighted nodes and the outer problem focuses on optimizing the weights based on the validation performance of the model returned from the inner problem. A communication-efficient federated optimization algorithm is designed to solve this bilevel optimization problem. Under an error-bound assumption, we analyze the generalization performance of the output model and identify scenarios when our method is in theory superior to training a model only locally and to federated learning with static and evenly distributed weights.

We establish upper bounds for the expected excess risk of models trained by proper iterative algorithms which approximate the local minima. Unlike the results built upon the strong globally strongly convexity or global growth conditions e.g., PL-inequality, we only require the population risk to be \emph{locally} strongly convex around its local minima. Concretely, our bound under convex problems is of order $\tilde{\cO}(1/n)$. For non-convex problems with $d$ model parameters such that $d/n$ is smaller than a threshold independent of $n$, the order of $\tilde{\cO}(1/n)$ can be maintained if the empirical risk has no spurious local minima with high probability. Moreover, the bound for non-convex problem becomes $\tilde{\cO}(1/\sqrt{n})$ without such assumption. Our results are derived via algorithmic stability and characterization of the empirical risk's landscape. Compared with the existing algorithmic stability based results, our bounds are dimensional insensitive and without restrictions on the algorithm's implementation, learning rate, and the number of iterations. Our bounds underscore that with locally strongly convex population risk, the models trained by any proper iterative algorithm can generalize well, even for non-convex problems, and $d$ is large.