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2022-11-03

Along Similar Lines: Local Obstacle Avoidance for Long-term Autonomous Path Following

Our architecture simplifies the obstacle-perception problem to that of place-dependent change detection. While we use the method with VT&R, it can be generalized to suit arbitrary path-following applications. Visual Teach and Repeat 3 (VT&R3), a generalization of stereo VT&R, achieves long-term autonomous path-following using topometric mapping and localization from a single rich sensor stream. In this paper, we improve the capabilities of a LiDAR implementation of VT&R3 to reliably detect and avoid obstacles in changing environments. Our architecture simplifies the obstacle-perception problem to that of place-dependent change detection. We then extend the behaviour of generic sample-based motion planners to better suit the teach-and-repeat problem structure by introducing a new edge-cost metric paired with a curvilinear planning space. The resulting planner generates naturally smooth paths that avoid local obstacles while minimizing lateral path deviation to best exploit prior terrain knowledge. While we use the method with VT&R, it can be generalized to suit arbitrary path-following applications. Experimental results from online run-time analysis, unit testing, and qualitative experiments on a differential drive robot show the promise of the technique for reliable long-term autonomous operation in complex unstructured environments.

Authors: Jordy Sehn, Yuchen Wu, Timothy D. Barfoot.

2022-11-03

Seamless Phase 2-3 Design: A Useful Strategy to Reduce the Sample Size for Dose Optimization

The statistical and design considerations that pertain to dose optimization are discussed. The sample size savings range from 16.6% to 27.3%, depending on the design and scenario, with a mean savings of 22.1%. The traditional more-is-better dose selection paradigm, developed based on cytotoxic chemotherapeutics, is often problematic When applied to the development of novel molecularly targeted agents (e.g., kinase inhibitors, monoclonal antibodies, and antibody-drug conjugates). The US Food and Drug Administration (FDA) initiated Project Optimus to reform the dose optimization and dose selection paradigm in oncology drug development and call for more attention to benefit-risk consideration. We systematically investigated the operating characteristics of the seamless phase 2-3 design as a strategy for dose optimization, where in stage 1 (corresponding to phase 2) patients are randomized to multiple doses, with or without a control; and in stage 2 (corresponding to phase 3) the efficacy of the selected optimal dose is evaluated with a randomized concurrent control or historical control. Depending on whether the concurrent control is included and the type of endpoints used in stages 1 and 2, we describe four types of seamless phase 2-3 dose-optimization designs, which are suitable for different clinical settings. The statistical and design considerations that pertain to dose optimization are discussed. Simulation shows that dose optimization phase 2-3 designs are able to control the familywise type I error rates and yield appropriate statistical power with substantially smaller sample size than the conventional approach. The sample size savings range from 16.6% to 27.3%, depending on the design and scenario, with a mean savings of 22.1%. Due to the interim dose selection, the phase 2-3 dose-optimization design is logistically and operationally more challenging, and should be carefully planned and implemented to ensure trial integrity.

Authors: Liyun Jiang, Ying Yuan.

2022-11-03

Fast and robust Bayesian Inference using Gaussian Processes with GPry

We significantly improve performance using properties of the posterior in our active learning scheme and for the definition of the GP prior. In particular we account for the expected dynamical range of the posterior in different dimensionalities. We test our model against a number of synthetic and cosmological examples. We present the GPry algorithm for fast Bayesian inference of general (non-Gaussian) posteriors with a moderate number of parameters. GPry does not need any pre-training, special hardware such as GPUs, and is intended as a drop-in replacement for traditional Monte Carlo methods for Bayesian inference. Our algorithm is based on generating a Gaussian Process surrogate model of the log-posterior, aided by a Support Vector Machine classifier that excludes extreme or non-finite values. An active learning scheme allows us to reduce the number of required posterior evaluations by two orders of magnitude compared to traditional Monte Carlo inference. Our algorithm allows for parallel evaluations of the posterior at optimal locations, further reducing wall-clock times. We significantly improve performance using properties of the posterior in our active learning scheme and for the definition of the GP prior. In particular we account for the expected dynamical range of the posterior in different dimensionalities. We test our model against a number of synthetic and cosmological examples. GPry outperforms traditional Monte Carlo methods when the evaluation time of the likelihood (or the calculation of theoretical observables) is of the order of seconds; for evaluation times of over a minute it can perform inference in days that would take months using traditional methods. GPry is distributed as an open source Python package (pip install gpry) and can also be found at https://github.com/jonaselgammal/GPry.

Authors: Jonas El Gammal, Nils Schöneberg, Jesús Torrado, Christian Fidler.

2022-11-03

Competitive Kill-and-Restart Strategies for Non-Clairvoyant Scheduling

We consider the fundamental scheduling problem of minimizing the sum of weighted completion times on a single machine in the non-clairvoyant setting. However, to the best of our knowledge, this concept has never been considered for the total completion time objective in the non-clairvoyant model. This implies a performance guarantee of $(1+3\sqrt{3})\approx 6.197$ for the deterministic algorithm and of $\approx 3.032$ for the randomized version. We consider the fundamental scheduling problem of minimizing the sum of weighted completion times on a single machine in the non-clairvoyant setting. While no non-preemptive algorithm is constant competitive, Motwani, Phillips, and Torng (SODA '93) proved that the simple preemptive round robin procedure is $2$-competitive and that no better competitive ratio is possible, initiating a long line of research focused on preemptive algorithms for generalized variants of the problem. As an alternative model, Shmoys, Wein, and Williamson (FOCS '91) introduced kill-and-restart schedules, where running jobs may be killed and restarted from scratch later, and analyzed then for the makespan objective. However, to the best of our knowledge, this concept has never been considered for the total completion time objective in the non-clairvoyant model. We contribute to both models: First we give for any $b > 1$ a tight analysis for the natural $b$-scaling kill-and-restart strategy for scheduling jobs without release dates, as well as for a randomized variant of it. This implies a performance guarantee of $(1+3\sqrt{3})\approx 6.197$ for the deterministic algorithm and of $\approx 3.032$ for the randomized version. Second, we show that the preemptive Weighted Shortest Elapsed Time First (WSETF) rule is $2$-competitive for jobs released in an online fashion over time, matching the lower bound by Motwani et al. Using this result as well as the competitiveness of round robin for multiple machines, we prove performance guarantees of adaptions of the $b$-scaling algorithm to online release dates and unweighted jobs on identical parallel machines.

Authors: Sven Jäger, Guillaume Sagnol, Daniel Schmidt genannt Waldschmidt, Philipp Warode.

2022-11-03

Could Giant Pretrained Image Models Extract Universal Representations?

Frozen pretrained models have become a viable alternative to the pretraining-then-finetuning paradigm for transfer learning. With this work, we hope to bring greater attention to this promising path of freezing pretrained image models. Frozen pretrained models have become a viable alternative to the pretraining-then-finetuning paradigm for transfer learning. However, with frozen models there are relatively few parameters available for adapting to downstream tasks, which is problematic in computer vision where tasks vary significantly in input/output format and the type of information that is of value. In this paper, we present a study of frozen pretrained models when applied to diverse and representative computer vision tasks, including object detection, semantic segmentation and video action recognition. From this empirical analysis, our work answers the questions of what pretraining task fits best with this frozen setting, how to make the frozen setting more flexible to various downstream tasks, and the effect of larger model sizes. We additionally examine the upper bound of performance using a giant frozen pretrained model with 3 billion parameters (SwinV2-G) and find that it reaches competitive performance on a varied set of major benchmarks with only one shared frozen base network: 60.0 box mAP and 52.2 mask mAP on COCO object detection test-dev, 57.6 val mIoU on ADE20K semantic segmentation, and 81.7 top-1 accuracy on Kinetics-400 action recognition. With this work, we hope to bring greater attention to this promising path of freezing pretrained image models.

Authors: Yutong Lin, Ze Liu, Zheng Zhang, Han Hu, Nanning Zheng, Stephen Lin, Yue Cao.

2022-11-03

Charged Higgs boson signatures via $pp \rightarrow H^\pm bj$ in 2HDM type-I

We show here that the suggested signatures can have sizable rates, reaching the pb level, when the top quark is produced on-shell and $\tan\beta$ is small. In this study, we investigate the light charged Higgs boson production via $pp \rightarrow H^\pm bj$ in the type-I configuration of the Two-Higgs Doublet Model (2HDM). In the viable parameter space, assuming either $h$ or $H$ is the SM-like Higgs boson observed at the Large Hadron Collider (LHC), we focus on the bosonic decays $H^\pm \rightarrow W^\pm A/h$ and examine the final states arising from the above charged Higgs production and decay. We show here that the suggested signatures can have sizable rates, reaching the pb level, when the top quark is produced on-shell and $\tan\beta$ is small.

Authors: R. Benbrik, M. Krab, B. Manaut, M. Ouchemhou.

2022-11-03

Dynamical simulations of carotenoid photoexcited states using density matrix renormalization group techniques

Chem. A}$ (2023).

We present a dynamical simulation scheme to model the highly correlated excited state dynamics of linear polyenes. We apply it to investigate the internal conversion processes of carotenoids following their photoexcitation. We use the extended Hubbard-Peierls model, $\hat{H}_{\textrm{UVP}}$, to describe the $\pi$-electronic system coupled to nuclear degrees of freedom supplemented by a Hamiltonian, $\hat{H}_{\epsilon}$, that explicitly breaks both the particle-hole and two-fold rotation symmetries of idealized carotenoids. The electronic degrees of freedom are treated quantum mechanically by solving the time-dependent Schr\"odinger equation using the adaptive time-dependent DMRG (tDMRG) method, while nuclear dynamics are treated via the Ehrenfest equations of motion. By defining adiabatic excited states as the eigenstates of the full Hamiltonian, $\hat{H}=\hat{H}_{\textrm{UVP}}+\hat{H}_{\epsilon}$, and diabatic excited states as eigenstates of $\hat{H}_{\textrm{UVP}}$, we present a computational framework to monitor the internal conversion process from the initial photoexcited state to the singlet triplet-pair states of carotenoids. We further incorporate Lanczos-DMRG to the tDMRG-Ehrenfest method to calculate transient absorption spectra from the evolving photoexcited state. We describe the accuracy and convergence criteria for DMRG, and show that this method accurately describes the dynamics of carotenoid excited states. We also discuss the effect of $\hat{H}_{\epsilon}$ on the internal conversion process, and show that its effect on the extent of internal conversion can be described by a Landau-Zener-type transition. This methodological paper is a companion to our more explanatory discussion of carotenoid excited state dynamics in, $\textit{Photoexcited state dynamics and singlet fission in carotenoids}$, D. Manawadu, T. N. Georges and W. Barford, $\textit{J. Phys. Chem. A}$ (2023).

Authors: Dilhan Manawadu, Darren J. Valentine, William Barford.

2022-11-03

Foot-Sorting for Socks

If your socks come out of the laundry all mixed up, how should you sort them? We give an enumeration involving Fibonacci numbers for the $1$-foot-sortable sock orderings within a naturally-arising class. If your socks come out of the laundry all mixed up, how should you sort them? We introduce and study a novel foot-sorting algorithm that uses feet to attempt to sort a sock ordering; one can view this algorithm as an analogue of Knuth's stack-sorting algorithm for set partitions. The sock orderings that can be sorted using a fixed number of feet are characterized by Klazar's notion of set partition pattern containment. We give an enumeration involving Fibonacci numbers for the $1$-foot-sortable sock orderings within a naturally-arising class. We also prove that if you have socks of $n$ different colors, then you can always sort them using at most $\left\lceil\log_2(n)\right\rceil$ feet, and we use a Ramsey-theoretic argument to show that this bound is tight.

Authors: Colin Defant, Noah Kravitz.

2022-11-03

Sensitivity of Bayesian Casual Forests to Modeling Choices: A Re-analysis of the 2022 ACIC Data Challenge

We demonstrate how Hahn et al.

We demonstrate how Hahn et al.'s Bayesian Causal Forests model (BCF) can be used to estimate conditional average treatment effects for the longitudinal dataset in the 2022 American Causal Inference Conference Data Challenge. Unfortunately, existing implementations of BCF do not scale to the size of the challenge data. Therefore, we developed flexBCF -- a more scalable and flexible implementation of BCF -- and used it in our challenge submission. We investigate the sensitivity of our results to two ad hoc modeling choices we made during our initial submission: (i) the choice of propensity score estimation method and (ii) the use of sparsity-inducing regression tree priors. While we found that our overall point predictions were not especially sensitive to these modeling choices, we did observe that running BCF with flexibly estimated propensity scores often yielded better-calibrated uncertainty intervals.

Authors: Ajinkya H. Kokandakar, Hyunseung Kang, Sameer K. Deshpande.

2022-11-03

Extending the analogy between intracellular motion in mammalian cells and glassy dynamics

In mammalian cells, in particular, cellular vesicles move across the cell using motor proteins that carry the vesicle down the cytoskeleton to their destination. Analysing this motion quantitatively, we observe a displacement distribution that is roughly Gaussian for shorter distances ($\lesssim$ 0.05 $\mu$m) but which exhibits exponentially decaying tails at longer distances (up to 0.40 $\mu$m). We show that this behaviour is well-described by a model originally developed to describe the motion in glassy systems. Overall, we demonstrate the ubiquity of glass-like motion in mammalian cells, providing a different perspective on intracellular motion. The physics of how molecules, organelles, and foreign objects move within living cells has been extensively studied in organisms ranging from bacteria to human cells. In mammalian cells, in particular, cellular vesicles move across the cell using motor proteins that carry the vesicle down the cytoskeleton to their destination. We have recently noted several similarities between the motion of such vesicles and that in disordered, "glassy", systems, but it remains unclear whether that is a general observation or something specific to certain vesicles in one particular cell type. Here we follow the motion of mitochondria, the organelles responsible for cell energy production, in several mammalian cell types over timescales ranging from 50 ms up to 70 s. Qualitative observations show that single mitochondria remain stalled, remaining within a spatially limited region, for extended periods of time, before moving longer distances relatively quickly. Analysing this motion quantitatively, we observe a displacement distribution that is roughly Gaussian for shorter distances ($\lesssim$ 0.05 $\mu$m) but which exhibits exponentially decaying tails at longer distances (up to 0.40 $\mu$m). We show that this behaviour is well-described by a model originally developed to describe the motion in glassy systems. These observations are extended to in total 3 different objects (mitochondria, lysosomes and nano-sized beads enclosed in vesicles), 3 different mammalian cell types, from 2 different organisms (human and mouse). We provide further evidence that supports glass-like characteristics of the motion by showing a difference between the time it takes to move a longer distance for the first time and subsequent times, as well as a weak ergodicity breaking of the motion. Overall, we demonstrate the ubiquity of glass-like motion in mammalian cells, providing a different perspective on intracellular motion.

Authors: B. Corci, O. Hooiveld, A. M. Dolga, C. Åberg.

2022-11-03

A unconditionally energy dissipative, adaptive IMEX BDF2 scheme and its error estimates for Cahn-Hilliard equation on generalized SAV approach

It is proved that the modified energy dissipation law is unconditionally preserved at discrete levels. The proof involves the tools of discrete orthogonal convolution (DOC) kernels and inequality zoom. Finally, numerical examples are provided to verify our theoretical analysis and the algorithm efficiency.

An adaptive implicit-explicit (IMEX) BDF2 scheme is investigated on generalized SAV approach for the Cahn-Hilliard equation by combining with Fourier spectral method in space. It is proved that the modified energy dissipation law is unconditionally preserved at discrete levels. Under a mild ratio restriction, i.e., \Ass{1}: $0<r_k:=\tau_k/\tau_{k-1}< r_{\max}\approx 4.8645$, we establish a rigorous error estimate in $H^1$-norm and achieve optimal second-order accuracy in time. The proof involves the tools of discrete orthogonal convolution (DOC) kernels and inequality zoom. It is worth noting that the presented adaptive time-step scheme only requires solving one linear system with constant coefficients at each time step. In our analysis, the first-consistent BDF1 for the first step does not bring the order reduction in $H^1$-norm. The $H^1$ bound of the numerical solution under periodic boundary conditions can be derived without any restriction (such as zero mean of the initial data). Finally, numerical examples are provided to verify our theoretical analysis and the algorithm efficiency.

Authors: Yifan Wei, Jiwei Zhang, Chengchao Zhao, Yanmin Zhao.

2022-11-03

A cryogenic SRAM based arbitrary waveform generator in 14 nm for spin qubit control

We propose an SRAM based arbitrary waveform generator for cryogenic control of spin qubits. The waveform sequence from a control processor can be stored in an SRAM memory array, which can be programmed in real time. The waveform pattern is converted to microwave pulses by a source-series-terminated digital to analog converter. Total power consumption of the AWG is 40-140mW at 4 K, depending upon the baud rate. Realization of qubit gate sequences require coherent microwave control pulses with programmable amplitude, duration, spacing and phase. We propose an SRAM based arbitrary waveform generator for cryogenic control of spin qubits. We demonstrate in this work, the cryogenic operation of a fully programmable radio frequency arbitrary waveform generator in 14 nm FinFET technology. The waveform sequence from a control processor can be stored in an SRAM memory array, which can be programmed in real time. The waveform pattern is converted to microwave pulses by a source-series-terminated digital to analog converter. The chip is operational at 4 K, capable of generating an arbitrary envelope shape at the desired carrier frequency. Total power consumption of the AWG is 40-140mW at 4 K, depending upon the baud rate. A wide signal band of 1-17 GHz is measured at 4 K, while multiple qubit control can be achieved using frequency division multiplexing at an average spurious free dynamic range of 40 dB. This work paves the way to optimal qubit control and closed loop feedback control, which is necessary to achieve low latency error mitigation

Authors: Mridula Prathapan, Peter Mueller, Christian Menolfi, Matthias Braendli, Marcel Kossel, Pier Andrea Francese, David Heim, Maria Vittoria Oropallo, Andrea Ruffino, Cezar Zota, Thomas Morf.

2022-11-03

Oracle Inequalities for Model Selection in Offline Reinforcement Learning

A major challenge in applying such methods in practice is the lack of both theoretically principled and practical tools for model selection and evaluation. We conclude with several numerical simulations showing it is capable of reliably selecting a good model class.

In offline reinforcement learning (RL), a learner leverages prior logged data to learn a good policy without interacting with the environment. A major challenge in applying such methods in practice is the lack of both theoretically principled and practical tools for model selection and evaluation. To address this, we study the problem of model selection in offline RL with value function approximation. The learner is given a nested sequence of model classes to minimize squared Bellman error and must select among these to achieve a balance between approximation and estimation error of the classes. We propose the first model selection algorithm for offline RL that achieves minimax rate-optimal oracle inequalities up to logarithmic factors. The algorithm, ModBE, takes as input a collection of candidate model classes and a generic base offline RL algorithm. By successively eliminating model classes using a novel one-sided generalization test, ModBE returns a policy with regret scaling with the complexity of the minimally complete model class. In addition to its theoretical guarantees, it is conceptually simple and computationally efficient, amounting to solving a series of square loss regression problems and then comparing relative square loss between classes. We conclude with several numerical simulations showing it is capable of reliably selecting a good model class.

Authors: Jonathan N. Lee, George Tucker, Ofir Nachum, Bo Dai, Emma Brunskill.

2022-11-03

On the Turán number of the hypercube

This answers a question of Liu. Moreover, our techniques give a power improvement for a larger class of graphs than cubes. This latter result is tight. In 1964, Erd\H{o}s proposed the problem of estimating the Tur\'an number of the $d$-dimensional hypercube $Q_d$. Since $Q_d$ is a bipartite graph with maximum degree $d$, it follows from results of F\"uredi and Alon, Krivelevich, Sudakov that $\mathrm{ex}(n,Q_d)=O_d(n^{2-1/d})$. A recent general result of Sudakov and Tomon implies the slightly stronger bound $\mathrm{ex}(n,Q_d)=o(n^{2-1/d})$. We obtain the first power-improvement for this old problem by showing that $\mathrm{ex}(n,Q_d)=O_d(n^{2-\frac{1}{d-1}+\frac{1}{(d-1)2^{d-1}}})$. This answers a question of Liu. Moreover, our techniques give a power improvement for a larger class of graphs than cubes. We use a similar method to prove that any $n$-vertex, properly edge-coloured graph without a rainbow cycle has at most $O(n(\log n)^2)$ edges, improving the previous best bound of $n(\log n)^{2+o(1)}$ by Tomon. Furthermore, we show that any properly edge-coloured $n$-vertex graph with $\omega(n\log n)$ edges contains a cycle which is almost rainbow: that is, almost all edges in it have a unique colour. This latter result is tight.

Authors: Oliver Janzer, Benny Sudakov.

2022-11-03

On the classicality of quantum dephasing processes

We find a rich phenomenology of quantum dephasing processes which can be interpreted in classical terms. For non-Markovian processes, classicality can only be proven in the fully compatible case, thus revealing a key difference between Markovian and non-Markovian pure dephasing processes.

We analyze the multitime statistics associated with pure dephasing systems repeatedly probed with sharp measurements, and search for measurement protocols whose statistics satisfies the Kolmogorov consistency conditions possibly up to a finite order. We find a rich phenomenology of quantum dephasing processes which can be interpreted in classical terms. In particular, if the underlying dephasing process is Markovian, we find sufficient conditions under which classicality at every order can be found: this can be reached by choosing the dephasing and measurement basis to be fully compatible or fully incompatible, that is, mutually unbiased bases (MUBs). For non-Markovian processes, classicality can only be proven in the fully compatible case, thus revealing a key difference between Markovian and non-Markovian pure dephasing processes.

Authors: Davide Lonigro, Dariusz Chruściński.