Miracle-dz/UniFAR-FTUs huggingface dataset:
Active learning of continuous-time Bayesian networks through interventions

We consider the problem of learning structures and parameters of continuous-time Bayesian networks (CTBNs) from time-course data under minimal experimental resources. In practice, the cost of generating experimental data poses a bottleneck, especially in the natural and social sciences. A popular approach to overcome this is Bayesian optimal experimental design (BOED). However, BOED becomes infeasible in high-dimensional settings, as it involves integration over all possible experimental outcomes. We propose a novel criterion for experimental design based on a variational approximation of the expected information gain. We show that for CTBNs, a semi-analytical expression for this criterion can be calculated for structure and parameter learning. By doing so, we can replace sampling over experimental outcomes by solving the CTBNs master-equation, for which scalable approximations exist. This alleviates the computational burden of integrating over possible experimental outcomes in high-dimensions. We employ this framework in order to recommend interventional sequences. In this context, we extend the CTBN model to conditional CTBNs in order to incorporate interventions. We demonstrate the performance of our criterion on synthetic and real-world data.
A Joint Intensity-Neuromorphic Event Imaging System for Resource Constrained Devices

We present a novel adaptive multi-modal intensity-event algorithm to optimize an overall objective of object tracking under bit rate constraints for a host-chip architecture. The chip is a computationally resource constrained device acquiring high resolution intensity frames and events, while the host is capable of performing computationally expensive tasks. We develop a joint intensity-neuromorphic event rate-distortion compression framework with a quadtree (QT) based compression of intensity and events scheme. The data acquisition on the chip is driven by the presence of objects of interest in the scene as detected by an object detector. The most informative intensity and event data are communicated to the host under rate constraints, so that the best possible tracking performance is obtained. The detection and tracking of objects in the scene are done on the distorted data at the host. Intensity and events are jointly used in a fusion framework to enhance the quality of the distorted images, so as to improve the object detection and tracking performance. The performance assessment of the overall system is done in terms of the multiple object tracking accuracy (MOTA) score. Compared to using intensity modality only, there is an improvement in MOTA using both these modalities in different scenarios.
Calibration of flux crosstalk in large-scale flux-tunable superconducting quantum circuits

X. Dai, ∗ D. M. Tennant, † R. Trappen, A. J. Martinez, D. Melanson, ‡ M. A. Yurtalan, 2 Y. Tang, § S. Novikov, J. A. Grover, S. M. Disseler, J. I. Basham, R. Das, D. K. Kim, A. J. Melville, B. M. Niedzielski, S. J. Weber, J. L. Yoder, D. A. Lidar, and A. Lupascu 6, ¶ Institute for Quantum Computing, and Department of Physics and Astronomy, University of Waterloo, Waterloo, ON, Canada N2L 3G1 Department of Electrical and Computer Engineering, University of Waterloo, Waterloo, ON, Canada N2L 3G1 Northrop Grumman Corporation, Linthicum, Maryland 21090, USA MIT Lincoln Laboratory, 244 Wood Street, Lexington, Massachusetts 02421, USA Departments of Electrical & Computer Engineering, Chemistry, and Physics, and Center for Quantum Information Science & Technology, University of Southern California, Los Angeles, California 90089, USA Waterloo Institute for Nanotechnology, University of Waterloo, Waterloo, ON, Canada N2L 3G1 (Dated: June 1, 2021)
Efficient and robust multi-task learning in the brain with modular task primitives

In a real-world setting biological agents do not have inﬁnite resources to learn new things. It is thus useful to recycle previously acquired knowledge in a way that allows for faster, less resource-intensive acquisition of multiple new skills. Neural networks in the brain are likely not entirely re-trained with new tasks, but how they leverage existing computations to learn new tasks is not well understood. In this work, we study this question in artiﬁcial neural networks trained on commonly used neuroscience paradigms. Building on recent work from the multi-task learning literature, we propose two ingredients: (1) network modularity, and (2) learning task primitives. Together, these ingredients form inductive biases we call structural and functional , respectively. Using a corpus of nine different tasks, we show that a modular network endowed with task primitives allows for learning multiple tasks well while keeping parameter counts, and updates, low. We also show that the skills acquired with our approach are more robust to a broad range of perturbations compared to those acquired with other multi-task learning strategies. This work offers a new perspective on achieving efﬁcient multi-task learning in the brain, and makes predictions for novel neuroscience experiments in which targeted perturbations are employed to explore solution spaces.
Max-Margin is Dead, Long Live Max-Margin!

The foundational concept of Max-Margin in machine learning is ill-posed for output spaces with more than two labels such as in structured prediction. In this paper, we show that the Max-Margin loss can only be consistent to the classiﬁcation task under highly restrictive assumptions on the discrete loss measuring the error between outputs. These conditions are satisﬁed by distances deﬁned in tree graphs, for which we prove consistency, thus being the ﬁrst losses shown to be consistent for Max-Margin beyond the binary setting. We ﬁnally address these limitations by correcting the concept of Max-Margin and introducing the Restricted-Max-Margin, where the maximization of the loss-augmented scores is maintained, but performed over a subset of the original domain. The resulting loss is also a generalization of the binary support vector machine and it is consistent under milder conditions on the discrete loss.
On the Secrecy Rate under Statistical QoS Provisioning for RIS-assisted MISO Wiretap Channel

Reconfigurable intelligent surface (RIS) assisted radio is considered as an enabling technology with great potential for the sixth-generation (6G) wireless communications standard. The achievable secrecy rate (ASR) is one of the most fundamental metrics to evaluate the capability of facilitating secure communication for RIS-assisted systems. However, the definition of ASR is based on Shannon's information theory, which generally requires long codewords and thus fails to quantify the secrecy of emerging delay-critical services. Motivated by this, in this paper we investigate the problem of maximizing the secrecy rate under a delay-limited quality-of-service (QoS) constraint, termed as the effective secrecy rate (ESR), for an RIS-assisted multiple-input single-output (MISO) wiretap channel subject to a transmit power constraint. We propose an iterative method to find a stationary solution to the formulated non-convex optimization problem using a block coordinate ascent method (BCAM), where both the beamforming vector at the transmitter as well as the phase shifts at the RIS are obtained in closed forms in each iteration. We also present a convergence proof, an efficient implementation, and the associated complexity analysis for the proposed method. Our numerical results demonstrate that the proposed optimization algorithm converges significantly faster that an existing solution. The simulation results also confirm that the secrecy rate performance of the system with stringent delay requirements reduces significantly compared to the system without any delay constraints, and that this reduction can be significantly mitigated by an appropriately placed large-size RIS.
On the Theory of Reinforcement Learning with Once-per-Episode Feedback

We study a theory of reinforcement learning (RL) in which the learner receives binary feedback only once at the end of an episode. While this is an extreme test case for theory, it is also arguably more representative of real-world applications than the traditional requirement in RL practice that the learner receive feedback at every time step. Indeed, in many real-world applications of reinforcement learning, such as self-driving cars and robotics, it is easier to evaluate whether a learner’s complete trajectory was either “good” or “bad,” but harder to provide a reward signal at each step. To show that learning is possible in this more challenging setting, we study the case where trajectory labels are generated by an unknown parametric model, and provide a statistically and computationally efficient algorithm that achieves sub-linear regret.
Adversarial Training with Rectified Rejection

Adversarial training (AT) is one of the most effective strategies for promoting model robustness, whereas even the state-of-the-art adversarially trained models struggle to exceed 65% robust test accuracy on CIFAR-10 without additional data, which is far from practical. A natural way to improve beyond this accuracy bottleneck is to introduce a rejection option, where conﬁdence is a commonly used certainty proxy. However, the vanilla conﬁdence can overestimate the model certainty if the input is wrongly classiﬁed. To this end, we propose to use true conﬁdence (T-Con) (i.e., predicted probability of the true class) as a certainty oracle, and learn to predict T-Con by rectifying conﬁdence. Intriguingly, we prove that under mild conditions, a rectiﬁed conﬁdence (R-Con) rejector and a conﬁdence rejector can be coupled to distinguish any wrongly classiﬁed input from correctly classiﬁed ones. We also quantify that training R-Con to be aligned with T-Con could be an easier task than learning robust classiﬁers. In our experiments, we evaluate our rectiﬁed rejection (RR) module on CIFAR-10, CIFAR-10-C, and CIFAR-100 under several attacks, and demonstrate that the RR module is well compatible with different AT frameworks on improving robustness, with little extra computation. Code is available at https://github.com/P2333/Rectified-Rejection .
Divide-and-conquer Bayesian inference in hidden Markov models

Divide-and-conquer Bayesian methods consist of three steps: dividing the data into smaller computationally manageable subsets, running a sampling algorithm in parallel on all the subsets, and combining parameter draws from all the subsets. The combined parameter draws are used for efficient posterior inference in massive data settings. A major restriction of existing divide-and-conquer methods is that their first two steps assume that the observations are independent. We address this problem by developing a divide-and-conquer method for Bayesian inference in parametric hidden Markov models, where the state space is known and finite. Our main contributions are two-fold. First, after partitioning the data into smaller blocks of consecutive observations, we modify the likelihood for performing posterior computations on the subsets such that the posterior variances of the subset and true posterior distributions have the same asymptotic order. Second, if the number of subsets is chosen appropriately depending on the mixing properties of the hidden Markov chain, then we show that the subset posterior distributions defined using the modified likelihood are asymptotically normal as the subset sample size tends to infinity. The latter result also implies that we can use any existing combination algorithm in the third step. We show that the combined posterior distribution obtained using one such algorithm is close to the true posterior distribution in 1-Wasserstein distance under widely used regularity assumptions. Our numerical results show that the proposed method provides an accurate approximation of the true posterior distribution than its competitors in diverse simulation studies and a real data analysis.
Structured Sentiment Analysis as Dependency Graph Parsing

Structured sentiment analysis attempts to extract full opinion tuples from a text, but over time this task has been subdivided into smaller and smaller sub-tasks, e.g., target extraction or targeted polarity classification. We argue that this division has become counterproductive and propose a new unified framework to remedy the situation. We cast the structured sentiment problem as dependency graph parsing, where the nodes are spans of sentiment holders, targets and expressions, and the arcs are the relations between them. We perform experiments on five datasets in four languages (English, Norwegian, Basque, and Catalan) and show that this approach leads to strong improvements over state-of-the-art baselines. Our analysis shows that refining the sentiment graphs with syntactic dependency information further improves results.
Recovering the Potential in One-Dimensional Time-Fractional Diffusion with Unknown Initial Condition and Source

This paper is concerned with an inverse problem of recovering a potential term in a one-dimensional subdiffusion problem, which involves a Djrbashian-Caputo fractional derivative of order α ∈ (0, 1) in time, from the lateral Cauchy data. In the model, we do not assume a full knowledge of the initial data and the source term, since they might be unavailable in some practical applications. We prove the unique recovery of the spatially-dependent potential coefficient and the order α of the derivation simultaneously from the measured trace data at one end point, when the model is equipped with a boundary excitation with compact supports away from t = 0. One of the initial data and the source can also be uniquely determined, provided that the other is known. The analysis employs a representation of the solution and the time analyticity of the associated function. Further, we discuss a two-stage procedure, directly inspired by the analysis, for the numerical identification of the order and potential coefficient, and illustrate the feasibility of the recovery with several numerical experiments.
On the geometry of generalization and memorization in deep neural networks

Understanding how large neural networks avoid memorizing training data is key to explaining their high generalization performance. To examine the structure of when and where memorization occurs in a deep network, we use a recently developed replica-based mean field theoretic geometric analysis method. We find that all layers preferentially learn from examples which share features, and link this behavior to generalization performance. Memorization predominately occurs in the deeper layers, due to decreasing object manifolds' radius and dimension, whereas early layers are minimally affected. This predicts that generalization can be restored by reverting the final few layer weights to earlier epochs before significant memorization occurred, which is confirmed by the experiments. Additionally, by studying generalization under different model sizes, we reveal the connection between the double descent phenomenon and the underlying model geometry. Finally, analytical analysis shows that networks avoid memorization early in training because close to initialization, the gradient contribution from permuted examples are small. These findings provide quantitative evidence for the structure of memorization across layers of a deep neural network, the drivers for such structure, and its connection to manifold geometric properties.
Q-attention: Enabling Efficient Learning for Vision-based Robotic Manipulation

Despite the success of reinforcement learning methods, they have yet to have their breakthrough moment when applied to a broad range of robotic manipulation tasks. This is partly due to the fact that reinforcement learning algorithms are notoriously difficult and time consuming to train, which is exacerbated when training from images rather than full-state inputs. As humans perform manipulation tasks, our eyes closely monitor every step of the process with our gaze focusing sequentially on the objects being manipulated. With this in mind, we present our Attention-driven Robotic Manipulation (ARM) algorithm, which is a general manipulation algorithm that can be applied to a range of sparse-rewarded tasks, given only a small number of demonstrations. ARM splits the complex task of manipulation into a 3 stage pipeline: (1) a Q-attention agent extracts interesting pixel locations from RGB and point cloud inputs, (2) a next-best pose agent that accepts crops from the Q-attention agent and outputs poses, and (3) a control agent that takes the goal pose and outputs joint actions. We show that current learning algorithms fail on a range of RLBench tasks, whilst ARM is successful.
Maximizing Parallelism in Distributed Training for Huge Neural Networks

The recent Natural Language Processing techniques have been refreshing the state-of-the-art performance at an incredible speed. Training huge language models is therefore an imperative demand in both industry and academy. However, huge language models impose challenges to both hardware and software. Graphical processing units (GPUs) are iterated frequently to meet the exploding demand, and a variety of ASICs like TPUs are spawned. However, there is still a tension between the fast growth of the extremely huge models and the fact that Moore's law is approaching the end. To this end, many model parallelism techniques are proposed to distribute the model parameters to multiple devices, so as to alleviate the tension on both memory and computation. Our work is the first to introduce a 3-dimensional model parallelism for expediting huge language models. By reaching a perfect load balance, our approach presents smaller memory and communication cost than existing state-of-the-art 1-D and 2-D model parallelism. Our experiments on 64 TACC's V100 GPUs show that our 3-D parallelism outperforms the 1-D and 2-D parallelism with 2.32x and 1.57x speedup, respectively.
How transfer learning impacts linguistic knowledge in deep NLP models?

Transfer learning from pre-trained neural language models towards downstream tasks has been a predominant theme in NLP recently. Several researchers have shown that deep NLP models learn non-trivial amount of linguistic knowledge, captured at different layers of the model. We investigate how fine-tuning towards downstream NLP tasks impacts the learned linguistic knowledge. We carry out a study across popular pre-trained models BERT, RoBERTa and XLNet using layer and neuron-level diagnostic classifiers. We found that for some GLUE tasks, the network relies on the core linguistic information and preserve it deeper in the network, while for others it forgets. Linguistic information is distributed in the pre-trained language models but becomes localized to the lower layers post fine-tuning, reserving higher layers for the task specific knowledge. The pattern varies across architectures, with BERT retaining linguistic information relatively deeper in the network compared to RoBERTa and XLNet, where it is predominantly delegated to the lower layers.
Improving Entropic Out-of-Distribution Detection using Isometric Distances and the Minimum Distance Score

Current out-of-distribution detection approaches usually present special requirements (e.g., collecting outlier data and hyperparameter validation) and produce side effects (classiﬁcation accuracy drop and slow/inefﬁcient inferences). Recently, entropic out-of-distribution detection has been proposed as a seamless approach (i.e., a solution that avoids all the previously mentioned drawbacks). The entropic out-of-distribution detection solution comprises the IsoMax loss for training and the entropic score for out-of-distribution detection. The IsoMax loss works as a SoftMax loss drop-in replacement because swapping the SoftMax loss with the IsoMax loss requires no changes in the model’s architecture or training procedures/hyperparameters. In this paper, we propose to perform what we call an isometrization of the distances used in the IsoMax loss. Additionally, we propose to replace the entropic score with the minimum distance score. Our experiments showed that these simple modiﬁcations increase out-of-distribution detection performance while keeping the solution seamless 1 .
Stability and Super-Resolution of MUSIC and ESPRIT for Multi-Snapshot Spectral Estimation

This paper studies the spectral estimation problem of estimating the locations of a fixed number of point sources given multiple snapshots of Fourier measurements collected by a uniform array of sensors. We prove novel stability bounds for MUSIC and ESPRIT as a function of the noise standard deviation, number of snapshots, source amplitudes, and support. Our most general result is a perturbation bound of the signal space in terms of the minimum singular value of Fourier matrices. When the point sources are located in several separated clumps, we provide an explicit upper bound of the noise-space correlation perturbation error in MUSIC and the support error in ESPRIT in terms of a Super-Resolution Factor (SRF). The upper bound for ESPRIT is then compared with a new Cramér-Rao lower bound for the clumps model. As a result, we show that ESPRIT is comparable to that of the optimal unbiased estimator(s) in terms of the dependence on noise, number of snapshots and SRF. As a byproduct of our analysis, we discover several fundamental differences between the single-snapshot and multi-snapshot problems. Our theory is validated by numerical experiments.
Chemical Complexity of Phosphorous-bearing Species in Various Regions of the Interstellar Medium

Phosphorus-related species are not known to be as omnipresent in space as hydrogen, carbon, nitrogen, oxygen, and sulfur-bearing species. Astronomers spotted very few P-bearing molecules in the interstellar medium and circumstellar envelopes. Limited discovery of the P-bearing species imposes severe constraints in modeling the P-chemistry. In this paper, we carry out extensive chemical models to follow the fate of P-bearing species in diffuse clouds, photon-dominated or photodissociation regions (PDRs), and hot cores/corinos. We notice a curious correlation between the abundances of PO and PN and atomic nitrogen. Since N atoms are more abundant in diffuse clouds and PDRs than in the hot core/corino region, PO/PN reflects <1 in diffuse clouds, ≪1 in PDRs, and >1 in the late warm-up evolutionary stage of the hot core/corino regions. During the end of the post-warm-up stage, we obtain PO/PN > 1 for hot core and <1 for its low-mass analog. We employ a radiative transfer model to investigate the transitions of some of the P-bearing species in diffuse cloud and hot core regions and estimate the line profiles. Our study estimates the required integration time to observe these transitions with ground-based and space-based telescopes. We also carry out quantum chemical computation of the infrared features of PH3, along with various impurities. We notice that SO2 overlaps with the PH3 bending-scissoring modes around ∼1000–1100 cm−1. We also find that the presence of CO2 can strongly influence the intensity of the stretching modes around ∼2400 cm−1 of PH3.