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Image-to-image regression is an important learning task, used frequently in biological imaging. Current algorithms, however, do not generally offer statistical guarantees that protect against a model's mistakes and hallucinations. To address this, we develop uncertainty quantification techniques with rigorous statistical guarantees for image-to-image regression problems. In particular, we show how to derive uncertainty intervals around each pixel that are guaranteed to contain the true value with a user-specified confidence probability. Our methods work in conjunction with any base machine learning model, such as a neural network, and endow it with formal mathematical guarantees -- regardless of the true unknown data distribution or choice of model. Furthermore, they are simple to implement and computationally inexpensive. We evaluate our procedure on three image-to-image regression tasks: quantitative phase microscopy, accelerated magnetic resonance imaging, and super-resolution transmission electron microscopy of a Drosophila melanogaster brain.

Deep reinforcement learning has proven remarkably useful in training agents from unstructured data. However, the opacity of the produced agents makes it difficult to ensure that they adhere to various requirements posed by human engineers. In this work-in-progress report, we propose a technique for enhancing the reinforcement learning training process (specifically, its reward calculation), in a way that allows human engineers to directly contribute their expert knowledge, making the agent under training more likely to comply with various relevant constraints. Moreover, our proposed approach allows formulating these constraints using advanced model engineering techniques, such as scenario-based modeling. This mix of black-box learning-based tools with classical modeling approaches could produce systems that are effective and efficient, but are also more transparent and maintainable. We evaluated our technique using a case-study from the domain of internet congestion control, obtaining promising results.

We consider decentralized machine learning over a network where the training data is distributed across $n$ agents, each of which can compute stochastic model updates on their local data. The agent's common goal is to find a model that minimizes the average of all local loss functions. While gradient tracking (GT) algorithms can overcome a key challenge, namely accounting for differences between workers' local data distributions, the known convergence rates for GT algorithms are not optimal with respect to their dependence on the mixing parameter $p$ (related to the spectral gap of the connectivity matrix). We provide a tighter analysis of the GT method in the stochastic strongly convex, convex and non-convex settings. We improve the dependency on $p$ from $\mathcal{O}(p^{-2})$ to $\mathcal{O}(p^{-1}c^{-1})$ in the noiseless case and from $\mathcal{O}(p^{-3/2})$ to $\mathcal{O}(p^{-1/2}c^{-1})$ in the general stochastic case, where $c \geq p$ is related to the negative eigenvalues of the connectivity matrix (and is a constant in most practical applications). This improvement was possible due to a new proof technique which could be of independent interest.

We study ROUND-UFP and ROUND-SAP, two generalizations of the classical BIN PACKING problem that correspond to the unsplittable flow problem on a path (UFP) and the storage allocation problem (SAP), respectively. We are given a path with capacities on its edges and a set of tasks where for each task we are given a demand and a subpath. In ROUND-UFP, the goal is to find a packing of all tasks into a minimum number of copies (rounds) of the given path such that for each copy, the total demand of tasks on any edge does not exceed the capacity of the respective edge. In ROUND-SAP, the tasks are considered to be rectangles and the goal is to find a non-overlapping packing of these rectangles into a minimum number of rounds such that all rectangles lie completely below the capacity profile of the edges. We show that in contrast to BIN PACKING, both the problems do not admit an asymptotic polynomial-time approximation scheme (APTAS), even when all edge capacities are equal. However, for this setting, we obtain asymptotic $(2+\varepsilon)$-approximations for both problems. For the general case, we obtain an $O(\log\log n)$-approximation algorithm and an $O(\log\log\frac{1}{\delta})$-approximation under $(1+\delta)$-resource augmentation for both problems. For the intermediate setting of the no bottleneck assumption (i.e., the maximum task demand is at most the minimum edge capacity), we obtain absolute $12$- and asymptotic $(16+\varepsilon)$-approximation algorithms for ROUND-UFP and ROUND-SAP, respectively.

Siamese tracking has achieved groundbreaking performance in recent years, where the essence is the efficient matching operator cross-correlation and its variants. Besides the remarkable success, it is important to note that the heuristic matching network design relies heavily on expert experience. Moreover, we experimentally find that one sole matching operator is difficult to guarantee stable tracking in all challenging environments. Thus, in this work, we introduce six novel matching operators from the perspective of feature fusion instead of explicit similarity learning, namely Concatenation, Pointwise-Addition, Pairwise-Relation, FiLM, Simple-Transformer and Transductive-Guidance, to explore more feasibility on matching operator selection. The analyses reveal these operators' selective adaptability on different environment degradation types, which inspires us to combine them to explore complementary features. To this end, we propose binary channel manipulation (BCM) to search for the optimal combination of these operators. BCM determines to retrain or discard one operator by learning its contribution to other tracking steps. By inserting the learned matching networks to a strong baseline tracker Ocean, our model achieves favorable gains by $67.2 \rightarrow 71.4$, $52.6 \rightarrow 58.3$, $70.3 \rightarrow 76.0$ success on OTB100, LaSOT, and TrackingNet, respectively. Notably, Our tracker, dubbed AutoMatch, uses less than half of training data/time than the baseline tracker, and runs at 50 FPS using PyTorch. Code and model will be released at //github.com/JudasDie/SOTS.

Retrosynthetic planning is a fundamental problem in chemistry for finding a pathway of reactions to synthesize a target molecule. Recently, search algorithms have shown promising results for solving this problem by using deep neural networks (DNNs) to expand their candidate solutions, i.e., adding new reactions to reaction pathways. However, the existing works on this line are suboptimal; the retrosynthetic planning problem requires the reaction pathways to be (a) represented by real-world reactions and (b) executable using "building block" molecules, yet the DNNs expand reaction pathways without fully incorporating such requirements. Motivated by this, we propose an end-to-end framework for directly training the DNNs towards generating reaction pathways with the desirable properties. Our main idea is based on a self-improving procedure that trains the model to imitate successful trajectories found by itself. We also propose a novel reaction augmentation scheme based on a forward reaction model. Our experiments demonstrate that our scheme significantly improves the success rate of solving the retrosynthetic problem from 86.84% to 96.32% while maintaining the performance of DNN for predicting valid reactions.

We present Neural A*, a novel data-driven search method for path planning problems. Despite the recent increasing attention to data-driven path planning, a machine learning approach to search-based planning is still challenging due to the discrete nature of search algorithms. In this work, we reformulate a canonical A* search algorithm to be differentiable and couple it with a convolutional encoder to form an end-to-end trainable neural network planner. Neural A* solves a path planning problem by encoding a problem instance to a guidance map and then performing the differentiable A* search with the guidance map. By learning to match the search results with ground-truth paths provided by experts, Neural A* can produce a path consistent with the ground truth accurately and efficiently. Our extensive experiments confirmed that Neural A* outperformed state-of-the-art data-driven planners in terms of the search optimality and efficiency trade-off, and furthermore, successfully predicted realistic human trajectories by directly performing search-based planning on natural image inputs.

Deep neural network architectures have traditionally been designed and explored with human expertise in a long-lasting trial-and-error process. This process requires huge amount of time, expertise, and resources. To address this tedious problem, we propose a novel algorithm to optimally find hyperparameters of a deep network architecture automatically. We specifically focus on designing neural architectures for medical image segmentation task. Our proposed method is based on a policy gradient reinforcement learning for which the reward function is assigned a segmentation evaluation utility (i.e., dice index). We show the efficacy of the proposed method with its low computational cost in comparison with the state-of-the-art medical image segmentation networks. We also present a new architecture design, a densely connected encoder-decoder CNN, as a strong baseline architecture to apply the proposed hyperparameter search algorithm. We apply the proposed algorithm to each layer of the baseline architectures. As an application, we train the proposed system on cine cardiac MR images from Automated Cardiac Diagnosis Challenge (ACDC) MICCAI 2017. Starting from a baseline segmentation architecture, the resulting network architecture obtains the state-of-the-art results in accuracy without performing any trial-and-error based architecture design approaches or close supervision of the hyperparameters changes.

Monocular cameras are one of the most commonly used sensors in the automotive industry for autonomous vehicles. One major drawback using a monocular camera is that it only makes observations in the two dimensional image plane and can not directly measure the distance to objects. In this paper, we aim at filling this gap by developing a multi-object tracking algorithm that takes an image as input and produces trajectories of detected objects in a world coordinate system. We solve this by using a deep neural network trained to detect and estimate the distance to objects from a single input image. The detections from a sequence of images are fed in to a state-of-the art Poisson multi-Bernoulli mixture tracking filter. The combination of the learned detector and the PMBM filter results in an algorithm that achieves 3D tracking using only mono-camera images as input. The performance of the algorithm is evaluated both in 3D world coordinates, and 2D image coordinates, using the publicly available KITTI object tracking dataset. The algorithm shows the ability to accurately track objects, correctly handle data associations, even when there is a big overlap of the objects in the image, and is one of the top performing algorithms on the KITTI object tracking benchmark. Furthermore, the algorithm is efficient, running on average close to 20 frames per second.

Querying graph structured data is a fundamental operation that enables important applications including knowledge graph search, social network analysis, and cyber-network security. However, the growing size of real-world data graphs poses severe challenges for graph databases to meet the response-time requirements of the applications. Planning the computational steps of query processing - Query Planning - is central to address these challenges. In this paper, we study the problem of learning to speedup query planning in graph databases towards the goal of improving the computational-efficiency of query processing via training queries.We present a Learning to Plan (L2P) framework that is applicable to a large class of query reasoners that follow the Threshold Algorithm (TA) approach. First, we define a generic search space over candidate query plans, and identify target search trajectories (query plans) corresponding to the training queries by performing an expensive search. Subsequently, we learn greedy search control knowledge to imitate the search behavior of the target query plans. We provide a concrete instantiation of our L2P framework for STAR, a state-of-the-art graph query reasoner. Our experiments on benchmark knowledge graphs including DBpedia, YAGO, and Freebase show that using the query plans generated by the learned search control knowledge, we can significantly improve the speed of STAR with negligible loss in accuracy.