Searcharxiv⌕ Search

arXiv subjects

Junjie Yang

Publications and source records attributed to Junjie Yang.

At least 91 records · Page 5Linked to original sources

Learning to Generalize Provably in Learning to Optimize

Learning to optimize (L2O) has gained increasing popularity, which automates the design of optimizers by data-driven approaches. However, current L2O methods often suffer from poor generalization performance in at least two folds: (i) applying the L2O-learned optimizer to unseen optimizees, in terms of lowering their loss function values (optimizer generalization, or ``generalizable learning of optimizers"); and (ii) the test performance of an optimizee (itself as a machine learning model), trained by the optimizer, in terms of the accuracy over unseen data (optimizee generalization, or ``learning to generalize"). While the optimizer generalization has been recently studied, the optimizee generalization (or learning to generalize) has not been rigorously studied in the L2O context, which is the aim of this paper. We first theoretically establish an implicit connection between the local entropy and the Hessian, and hence unify their roles in the handcrafted design of generalizable optimizers as equivalent metrics of the landscape flatness of loss functions. We then propose to incorporate these two metrics as flatness-aware regularizers into the L2O framework in order to meta-train optimizers to learn to generalize, and theoretically show that such generalization ability can be learned during the L2O meta-training process and then transformed to the optimizee loss function. Extensive experiments consistently validate the effectiveness of our proposals with substantially improved generalization on multiple sophisticated L2O models and diverse optimizees. Our code is available at: https://github.com/VITA-Group/Open-L2O/tree/main/Model_Free_L2O/L2O-Entropy.

cs.LG↗

M-L2O: Towards Generalizable Learning-to-Optimize by Test-Time Fast Self-Adaptation

Learning to Optimize (L2O) has drawn increasing attention as it often remarkably accelerates the optimization procedure of complex tasks by ``overfitting" specific task type, leading to enhanced performance compared to analytical optimizers. Generally, L2O develops a parameterized optimization method (i.e., ``optimizer") by learning from solving sample problems. This data-driven procedure yields L2O that can efficiently solve problems similar to those seen in training, that is, drawn from the same ``task distribution". However, such learned optimizers often struggle when new test problems come with a substantially deviation from the training task distribution. This paper investigates a potential solution to this open challenge, by meta-training an L2O optimizer that can perform fast test-time self-adaptation to an out-of-distribution task, in only a few steps. We theoretically characterize the generalization of L2O, and further show that our proposed framework (termed as M-L2O) provably facilitates rapid task adaptation by locating well-adapted initial points for the optimizer weight. Empirical observations on several classic tasks like LASSO and Quadratic, demonstrate that M-L2O converges significantly faster than vanilla L2O with only $5$ steps of adaptation, echoing our theoretical results. Codes are available in https://github.com/VITA-Group/M-L2O.

cs.LG↗

Software-Hardware Co-design for Fast and Scalable Training of Deep Learning Recommendation Models

Deep learning recommendation models (DLRMs) are used across many business-critical services at Facebook and are the single largest AI application in terms of infrastructure demand in its data-centers. In this paper we discuss the SW/HW co-designed solution for high-performance distributed training of large-scale DLRMs. We introduce a high-performance scalable software stack based on PyTorch and pair it with the new evolution of Zion platform, namely ZionEX. We demonstrate the capability to train very large DLRMs with up to 12 Trillion parameters and show that we can attain 40X speedup in terms of time to solution over previous systems. We achieve this by (i) designing the ZionEX platform with dedicated scale-out network, provisioned with high bandwidth, optimal topology and efficient transport (ii) implementing an optimized PyTorch-based training stack supporting both model and data parallelism (iii) developing sharding algorithms capable of hierarchical partitioning of the embedding tables along row, column dimensions and load balancing them across multiple workers; (iv) adding high-performance core operators while retaining flexibility to support optimizers with fully deterministic updates (v) leveraging reduced precision communications, multi-level memory hierarchy (HBM+DDR+SSD) and pipelining. Furthermore, we develop and briefly comment on distributed data ingestion and other supporting services that are required for the robust and efficient end-to-end training in production environments.

cs.DC↗

Multi-site Reaction Dynamics Through Multi-fragment Density Matrix Embedding

The practical description of disordered chemical reactions, where reactions involve multiple species at multiple sites, is presently challenge using correlated electronic structure methods. Here we describe the gradient theory of multi-fragment density matrix embedding theory, which potentially provides a minimal computational framework to model such processes at the correlated electron level. We present the derivation and implementation of the gradient theory, its validation on model systems and chemical reactions using density matrix embedding, and its application to a molecular dynamics simulation of proton transport in a small water cluster, a simple example of multi-site reaction dynamics.

physics.chem-ph↗

APT-36K: A Large-scale Benchmark for Animal Pose Estimation and Tracking

Animal pose estimation and tracking (APT) is a fundamental task for detecting and tracking animal keypoints from a sequence of video frames. Previous animal-related datasets focus either on animal tracking or single-frame animal pose estimation, and never on both aspects. The lack of APT datasets hinders the development and evaluation of video-based animal pose estimation and tracking methods, limiting real-world applications, e.g., understanding animal behavior in wildlife conservation. To fill this gap, we make the first step and propose APT-36K, i.e., the first large-scale benchmark for animal pose estimation and tracking. Specifically, APT-36K consists of 2,400 video clips collected and filtered from 30 animal species with 15 frames for each video, resulting in 36,000 frames in total. After manual annotation and careful double-check, high-quality keypoint and tracking annotations are provided for all the animal instances. Based on APT-36K, we benchmark several representative models on the following three tracks: (1) supervised animal pose estimation on a single frame under intra- and inter-domain transfer learning settings, (2) inter-species domain generalization test for unseen animals, and (3) animal pose estimation with animal tracking. Based on the experimental results, we gain some empirical insights and show that APT-36K provides a valuable animal pose estimation and tracking benchmark, offering new challenges and opportunities for future research. The code and dataset will be made publicly available at https://github.com/pandorgan/APT-36K.

cs.CV↗

Provably Faster Algorithms for Bilevel Optimization

Bilevel optimization has been widely applied in many important machine learning applications such as hyperparameter optimization and meta-learning. Recently, several momentum-based algorithms have been proposed to solve bilevel optimization problems faster. However, those momentum-based algorithms do not achieve provably better computational complexity than $\mathcal{\widetilde O}(ε^{-2})$ of the SGD-based algorithm. In this paper, we propose two new algorithms for bilevel optimization, where the first algorithm adopts momentum-based recursive iterations, and the second algorithm adopts recursive gradient estimations in nested loops to decrease the variance. We show that both algorithms achieve the complexity of $\mathcal{\widetilde O}(ε^{-1.5})$, which outperforms all existing algorithms by the order of magnitude. Our experiments validate our theoretical results and demonstrate the superior empirical performance of our algorithms in hyperparameter applications.

cs.LG↗

ColibriDoc: An Eye-in-Hand Autonomous Trocar Docking System

Retinal surgery is a complex medical procedure that requires exceptional expertise and dexterity. For this purpose, several robotic platforms are currently being developed to enable or improve the outcome of microsurgical tasks. Since the control of such robots is often designed for navigation inside the eye in proximity to the retina, successful trocar docking and inserting the instrument into the eye represents an additional cognitive effort, and is, therefore, one of the open challenges in robotic retinal surgery. For this purpose, we present a platform for autonomous trocar docking that combines computer vision and a robotic setup. Inspired by the Cuban Colibri (hummingbird) aligning its beak to a flower using only vision, we mount a camera onto the endeffector of a robotic system. By estimating the position and pose of the trocar, the robot is able to autonomously align and navigate the instrument towards the Trocar's Entry Point (TEP) and finally perform the insertion. Our experiments show that the proposed method is able to accurately estimate the position and pose of the trocar and achieve repeatable autonomous docking. The aim of this work is to reduce the complexity of robotic setup preparation prior to the surgical task and therefore, increase the intuitiveness of the system integration into the clinical workflow.

cs.RO↗

Bi kagome sublattice distortions by quenching and flux pinning in superconducting RbBi$_2$

The properties of RbBi$_2$, a 4.15 K superconductor, were investigated using magnetic field, pressure and neutron diffraction. Under hydrostatic pressure, an almost 50 % reduction of T$_c$ is observed, linked to a low Debye temperature estimated at 165 K. The resistivity and magnetic susceptibility were measured on quenched and slow-cooled polycrystalline samples. The resistivity follows a low temperature power-law dependence in both types of samples, while the diamagnetic susceptibility, $χ$, is dependent on the sample cooling history. Slow-cooled samples have a $χ= -1$ while quenched samples have $χ< -1$ due to grain size differences. Evidence of the effects of the cooling rate is also discerned from the local structure, obtained by neutron diffraction and the pair density function analysis. Slow-cooled samples have structurally symmetric Bi hexagons, in contrast to quenched samples in which disorder is manifested in periodic distortions of the Bi hexagonal rings of the kagome sublattice. Disorder may lead to flux pinning that reduces vortex mobility, but T$_c$ remains unaffected by the cooling rate.

cond-mat.supr-con↗

Bilevel Optimization: Convergence Analysis and Enhanced Design

Bilevel optimization has arisen as a powerful tool for many machine learning problems such as meta-learning, hyperparameter optimization, and reinforcement learning. In this paper, we investigate the nonconvex-strongly-convex bilevel optimization problem. For deterministic bilevel optimization, we provide a comprehensive convergence rate analysis for two popular algorithms respectively based on approximate implicit differentiation (AID) and iterative differentiation (ITD). For the AID-based method, we orderwisely improve the previous convergence rate analysis due to a more practical parameter selection as well as a warm start strategy, and for the ITD-based method we establish the first theoretical convergence rate. Our analysis also provides a quantitative comparison between ITD and AID based approaches. For stochastic bilevel optimization, we propose a novel algorithm named stocBiO, which features a sample-efficient hypergradient estimator using efficient Jacobian- and Hessian-vector product computations. We provide the convergence rate guarantee for stocBiO, and show that stocBiO outperforms the best known computational complexities orderwisely with respect to the condition number $κ$ and the target accuracy $ε$. We further validate our theoretical results and demonstrate the efficiency of bilevel optimization algorithms by the experiments on meta-learning and hyperparameter optimization.

cs.LG↗

Impact Mitigation for Dynamic Legged Robots with Steel Wire Transmission Using Nonlinear Active Compliance Control

Impact mitigation is crucial to the stable locomotion of legged robots, especially in high-speed dynamic locomotion. This paper presents a leg locomotion system including the nonlinear active compliance control and the active impedance control for the steel wire transmission-based legged robot. The developed control system enables high-speed dynamic locomotion with excellent impact mitigation and leg position tracking performance, where three strategies are applied. a) The feed-forward controller is designed according to the linear motor-leg model with the information of Coulomb friction and viscous friction. b) Steel wire transmission model-based compensation guarantees ideal virtual spring compliance characteristics. c) Nonlinear active compliance control and active impedance control ensure better impact mitigation performance than linear scheme and guarantee position tracking performance. The proposed control system is verified on a real robot named SCIT Dog and the experiment demonstrates the ideal impact mitigation ability in high-speed dynamic locomotion without any passive spring mechanism.

cs.RO↗

Ultrafast Modulations And Detection of a Ferro-rotational Charge Density Wave Using Time-resolved Electric Quadrupole Second Harmonic Generation

We show the ferro-rotational nature of the commensurate charge density wave (CCDW) in $1T$-$\mathrm{TaS}_2$ and track its dynamic modulations by temperature-dependent and time-resolved electric quadrupole rotation anisotropy-second harmonic generation (EQ RA-SHG), respectively. The ultrafast modulations manifest as the breathing and the rotation of the EQ RA-SHG patterns at three frequencies around the reported single CCDW amplitude mode frequency. A sudden shift of the triplet frequencies and a dramatic increase in the breathing and rotation magnitude further reveal a photo-induced transient CDW phase across a critical pump fluence of ~ 0.5 mJ/cm$^2$.

cond-mat.mtrl-sci↗

Quantum-Electrodynamical Time-Dependent Density Functional Theory. I. A Gaussian Atomic Basis Implementation

Inspired by the formulation of quantum-electrodynamical time-dependent density functional theory (QED-TDDFT) by Rubio and coworkers, we propose an implementation that uses dimensionless amplitudes for describing the photonic contributions to QED-TDDFT electron-photon eigenstates. The leads to a symmetric QED-TDDFT coupling matrix, which is expected to facilitate the future development of analytic derivatives. Through a Gaussian atomic basis implementation of the QED-TDDFT method, we examined the effect of dipole self-energy, rotating wave approximation, and the Tamm-Dancoff approximation on the QED-TDDFT eigenstates of model compounds (ethene, formaldehyde, and benzaldehyde) in an optical cavity. We highlight, in the strong coupling regime, the role of higher-energy and off-resonance excited states with large transition dipole moments in the direction of the photonic field, which are automatically accounted for in our QED-TDDFT calculations and might substantially affect the energy and composition of polaritons associated with lower-energy electronic states.

cond-mat.mtrl-sci↗

Multi-span Style Extraction for Generative Reading Comprehension

Generative machine reading comprehension (MRC) requires a model to generate well-formed answers. For this type of MRC, answer generation method is crucial to the model performance. However, generative models, which are supposed to be the right model for the task, in generally perform poorly. At the same time, single-span extraction models have been proven effective for extractive MRC, where the answer is constrained to a single span in the passage. Nevertheless, they generally suffer from generating incomplete answers or introducing redundant words when applied to the generative MRC. Thus, we extend the single-span extraction method to multi-span, proposing a new framework which enables generative MRC to be smoothly solved as multi-span extraction. Thorough experiments demonstrate that this novel approach can alleviate the dilemma between generative models and single-span models and produce answers with better-formed syntax and semantics.

cs.CL↗

Retrospective Reader for Machine Reading Comprehension

Machine reading comprehension (MRC) is an AI challenge that requires machine to determine the correct answers to questions based on a given passage. MRC systems must not only answer question when necessary but also distinguish when no answer is available according to the given passage and then tactfully abstain from answering. When unanswerable questions are involved in the MRC task, an essential verification module called verifier is especially required in addition to the encoder, though the latest practice on MRC modeling still most benefits from adopting well pre-trained language models as the encoder block by only focusing on the "reading". This paper devotes itself to exploring better verifier design for the MRC task with unanswerable questions. Inspired by how humans solve reading comprehension questions, we proposed a retrospective reader (Retro-Reader) that integrates two stages of reading and verification strategies: 1) sketchy reading that briefly investigates the overall interactions of passage and question, and yield an initial judgment; 2) intensive reading that verifies the answer and gives the final prediction. The proposed reader is evaluated on two benchmark MRC challenge datasets SQuAD2.0 and NewsQA, achieving new state-of-the-art results. Significance tests show that our model is significantly better than the strong ELECTRA and ALBERT baselines. A series of analysis is also conducted to interpret the effectiveness of the proposed reader.

cs.CL↗

Kinetically-stabilized Ferroelectricity in Bulk Singlecrystalline HfO2:Y without Wake-up Effects

HfO2, a simple binary oxide, holds ultra-scalable ferroelectricity integrable into silicon technology. Polar orthorhombic (Pbc21) form in ultra-thin-films ascribes as the plausible root-cause of the astonishing ferroelectricity, which has thought not attainable in bulk crystals. Though, perplexities remain primarily due to the polymorphic nature and the characterization challenges at small-length scales. Herein, utilizing a state-of-the-art Laser-Diode-heated Floating Zone technique, we report ferroelectricity in bulk single-crystalline HfO2:Y as well as the presence of anti-polar Pbca phase at different Y concentrations. Neutron diffraction and atomic imaging demonstrate (anti-)polar crystallographic signatures and abundant 90o/180o ferroelectric domains in addition to the switchable polarization with little wake-up effects. Density-functional theory calculations suggest that the Yttrium doping and rapid cooling are the key factors for the desired phase. Our observations provide new insights into the polymorphic nature and phase controlling of HfO2, remove the upper size limit for ferroelectricity, and also pave a new road toward the next-generation ferroelectric devices.

cond-mat.mtrl-sci↗

Neural Network Training Techniques Regularize Optimization Trajectory: An Empirical Study

Modern deep neural network (DNN) trainings utilize various training techniques, e.g., nonlinear activation functions, batch normalization, skip-connections, etc. Despite their effectiveness, it is still mysterious how they help accelerate DNN trainings in practice. In this paper, we provide an empirical study of the regularization effect of these training techniques on DNN optimization. Specifically, we find that the optimization trajectories of successful DNN trainings consistently obey a certain regularity principle that regularizes the model update direction to be aligned with the trajectory direction. Theoretically, we show that such a regularity principle leads to a convergence guarantee in nonconvex optimization and the convergence rate depends on a regularization parameter. Empirically, we find that DNN trainings that apply the training techniques achieve a fast convergence and obey the regularity principle with a large regularization parameter, implying that the model updates are well aligned with the trajectory. On the other hand, DNN trainings without the training techniques have slow convergence and obey the regularity principle with a small regularization parameter, implying that the model updates are not well aligned with the trajectory. Therefore, different training techniques regularize the model update direction via the regularity principle to facilitate the convergence.

cs.LG↗

Second-order nonlinear optical and linear UV-VIS absorption properties of type-II multiferroic candidates RbFe(AO4)2 (A = Mo, Se, S)

Motivated by the search for type-II multiferroics, we present a comprehensive optical study of a complex oxide family of type-II multiferroic candidates: RbFe(MoO4)2, RbFe(SeO4)2, and RbFe(SO4)2. We employ rotational-anisotropy second harmonic generation spectroscopy (RA SHG), a technique sensitive to point symmetries, to address discrepancies in literature-assigned point/space groups and to identify the correct crystal structures. At room temperature we find that our RA SHG patterns rotate away from the crystal axes in RbFe(AO4)2 (A = Se, S), which identifies the lack of mirror symmetry and in-plane two-fold rotational symmetry. Also, the SHG efficiency of RbFe(SeO4)2 is two orders of magnitude stronger than RbFe(AO4)2 (A = Mo, S), which suggests broken inversion symmetry. Additionally, we present temperature-dependent linear optical characterizations near the band edge of this family of materials using ultraviolet-visible (UV-VIS) absorption spectroscopy. Included is experimental evidence of the band gap energy and band gap transition type for this family. Previously unreported sub-band gap absorption is also presented, which reveals prominent optical transitions, some with an unusual central energy temperature dependence. Furthermore, we find that by substituting the A-site in RbFe(AO4)2 (A = Mo, Se, S), the aforementioned transitions are spectrally tunable. Finally, we discuss the potential origin and impact of these tunable transitions.

cond-mat.mtrl-sci↗

Theoretical Convergence of Multi-Step Model-Agnostic Meta-Learning

As a popular meta-learning approach, the model-agnostic meta-learning (MAML) algorithm has been widely used due to its simplicity and effectiveness. However, the convergence of the general multi-step MAML still remains unexplored. In this paper, we develop a new theoretical framework to provide such convergence guarantee for two types of objective functions that are of interest in practice: (a) resampling case (e.g., reinforcement learning), where loss functions take the form in expectation and new data are sampled as the algorithm runs; and (b) finite-sum case (e.g., supervised learning), where loss functions take the finite-sum form with given samples. For both cases, we characterize the convergence rate and the computational complexity to attain an $ε$-accurate solution for multi-step MAML in the general nonconvex setting. In particular, our results suggest that an inner-stage stepsize needs to be chosen inversely proportional to the number $N$ of inner-stage steps in order for $N$-step MAML to have guaranteed convergence. From the technical perspective, we develop novel techniques to deal with the nested structure of the meta gradient for multi-step MAML, which can be of independent interest.

cs.LG↗