Recently, Graph Transformer (GT) models have been widely used in the task of Molecular Property Prediction (MPP) due to their high reliability in characterizing the latent relationship among graph nodes (i.e., the atoms in a molecule). However, most existing GT-based methods usually explore the basic interactions between pairwise atoms, and thus they fail to consider the important interactions among critical motifs (e.g., functional groups consisted of several atoms) of molecules. As motifs in a molecule are significant patterns that are of great importance for determining molecular properties (e.g., toxicity and solubility), overlooking motif interactions inevitably hinders the effectiveness of MPP. To address this issue, we propose a novel Atom-Motif Contrastive Transformer (AMCT), which not only explores the atom-level interactions but also considers the motif-level interactions. Since the representations of atoms and motifs for a given molecule are actually two different views of the same instance, they are naturally aligned to generate the self-supervisory signals for model training. Meanwhile, the same motif can exist in different molecules, and hence we also employ the contrastive loss to maximize the representation agreement of identical motifs across different molecules. Finally, in order to clearly identify the motifs that are critical in deciding the properties of each molecule, we further construct a property-aware attention mechanism into our learning framework. Our proposed AMCT is extensively evaluated on seven popular benchmark datasets, and both quantitative and qualitative results firmly demonstrate its effectiveness when compared with the state-of-the-art methods.
On-device ML introduces new security challenges: DNN models become white-box accessible to device users. Based on white-box information, adversaries can conduct effective model stealing (MS) and membership inference attack (MIA). Using Trusted Execution Environments (TEEs) to shield on-device DNN models aims to downgrade (easy) white-box attacks to (harder) black-box attacks. However, one major shortcoming is the sharply increased latency (up to 50X). To accelerate TEE-shield DNN computation with GPUs, researchers proposed several model partition techniques. These solutions, referred to as TEE-Shielded DNN Partition (TSDP), partition a DNN model into two parts, offloading the privacy-insensitive part to the GPU while shielding the privacy-sensitive part within the TEE. This paper benchmarks existing TSDP solutions using both MS and MIA across a variety of DNN models, datasets, and metrics. We show important findings that existing TSDP solutions are vulnerable to privacy-stealing attacks and are not as safe as commonly believed. We also unveil the inherent difficulty in deciding optimal DNN partition configurations (i.e., the highest security with minimal utility cost) for present TSDP solutions. The experiments show that such ``sweet spot'' configurations vary across datasets and models. Based on lessons harvested from the experiments, we present TEESlice, a novel TSDP method that defends against MS and MIA during DNN inference. TEESlice follows a partition-before-training strategy, which allows for accurate separation between privacy-related weights from public weights. TEESlice delivers the same security protection as shielding the entire DNN model inside TEE (the ``upper-bound'' security guarantees) with over 10X less overhead (in both experimental and real-world environments) than prior TSDP solutions and no accuracy loss.
This paper presents a novel evaluation approach to text-based speaker diarization (SD), tackling the limitations of traditional metrics that do not account for any contextual information in text. Two new metrics are proposed, Text-based Diarization Error Rate and Diarization F1, which perform utterance- and word-level evaluations by aligning tokens in reference and hypothesis transcripts. Our metrics encompass more types of errors compared to existing ones, allowing us to make a more comprehensive analysis in SD. To align tokens, a multiple sequence alignment algorithm is introduced that supports multiple sequences in the reference while handling high-dimensional alignment to the hypothesis using dynamic programming. Our work is packaged into two tools, align4d providing an API for our alignment algorithm and TranscribeView for visualizing and evaluating SD errors, which can greatly aid in the creation of high-quality data, fostering the advancement of dialogue systems.
The sample selection approach is very popular in learning with noisy labels. As deep networks learn pattern first, prior methods built on sample selection share a similar training procedure: the small-loss examples can be regarded as clean examples and used for helping generalization, while the large-loss examples are treated as mislabeled ones and excluded from network parameter updates. However, such a procedure is arguably debatable from two folds: (a) it does not consider the bad influence of noisy labels in selected small-loss examples; (b) it does not make good use of the discarded large-loss examples, which may be clean or have meaningful information for generalization. In this paper, we propose regularly truncated M-estimators (RTME) to address the above two issues simultaneously. Specifically, RTME can alternately switch modes between truncated M-estimators and original M-estimators. The former can adaptively select small-losses examples without knowing the noise rate and reduce the side-effects of noisy labels in them. The latter makes the possibly clean examples but with large losses involved to help generalization. Theoretically, we demonstrate that our strategies are label-noise-tolerant. Empirically, comprehensive experimental results show that our method can outperform multiple baselines and is robust to broad noise types and levels.
Knowledge distillation aims to learn a lightweight student network from a pre-trained teacher network. In practice, existing knowledge distillation methods are usually infeasible when the original training data is unavailable due to some privacy issues and data management considerations. Therefore, data-free knowledge distillation approaches proposed to collect training instances from the Internet. However, most of them have ignored the common distribution shift between the instances from original training data and webly collected data, affecting the reliability of the trained student network. To solve this problem, we propose a novel method dubbed ``Knowledge Distillation between Different Distributions" (KD$^{3}$), which consists of three components. Specifically, we first dynamically select useful training instances from the webly collected data according to the combined predictions of teacher network and student network. Subsequently, we align both the weighted features and classifier parameters of the two networks for knowledge memorization. Meanwhile, we also build a new contrastive learning block called MixDistribution to generate perturbed data with a new distribution for instance alignment, so that the student network can further learn a distribution-invariant representation. Intensive experiments on various benchmark datasets demonstrate that our proposed KD$^{3}$ can outperform the state-of-the-art data-free knowledge distillation approaches.
This paper studies a new problem, \emph{active learning with partial labels} (ALPL). In this setting, an oracle annotates the query samples with partial labels, relaxing the oracle from the demanding accurate labeling process. To address ALPL, we first build an intuitive baseline that can be seamlessly incorporated into existing AL frameworks. Though effective, this baseline is still susceptible to the \emph{overfitting}, and falls short of the representative partial-label-based samples during the query process. Drawing inspiration from human inference in cognitive science, where accurate inferences can be explicitly derived from \emph{counter-examples} (CEs), our objective is to leverage this human-like learning pattern to tackle the \emph{overfitting} while enhancing the process of selecting representative samples in ALPL. Specifically, we construct CEs by reversing the partial labels for each instance, and then we propose a simple but effective WorseNet to directly learn from this complementary pattern. By leveraging the distribution gap between WorseNet and the predictor, this adversarial evaluation manner could enhance both the performance of the predictor itself and the sample selection process, allowing the predictor to capture more accurate patterns in the data. Experimental results on five real-world datasets and four benchmark datasets show that our proposed method achieves comprehensive improvements over ten representative AL frameworks, highlighting the superiority of WorseNet. The source code will be available at \url{https://github.com/Ferenas/APLL}.
We conduct a theoretical investigation into the impacts of local microwave electric field frequency detuning, laser frequency detuning, and transit relaxation rate on enhancing heterodyne Rydberg atomic receiver sensitivity. To optimize the output signal amplitude given the input microwave signal, we derive the steady-state solutions of the atomic density matrix. Numerical results show that laser frequency detuning and local microwave electric field frequency detuning can improve the system detection sensitivity, which can help the system achieve extra sensitivity gain. It also shows that the heterodyne Rydberg atomic receiver can detect weak microwave signals continuously over a wide frequency range with the same sensitivity or even more sensitivity than the resonance case. To evaluate the transit relaxation effect, a modified Liouville equation is used. We find that the transition relaxation rate increases the time it takes to reach steady state and decreases the sensitivity of the system detection.
Few-shot inductive link prediction on knowledge graphs (KGs) aims to predict missing links for unseen entities with few-shot links observed. Previous methods are limited to transductive scenarios, where entities exist in the knowledge graphs, so they are unable to handle unseen entities. Therefore, recent inductive methods utilize the sub-graphs around unseen entities to obtain the semantics and predict links inductively. However, in the few-shot setting, the sub-graphs are often sparse and cannot provide meaningful inductive patterns. In this paper, we propose a novel relational anonymous walk-guided neural process for few-shot inductive link prediction on knowledge graphs, denoted as RawNP. Specifically, we develop a neural process-based method to model a flexible distribution over link prediction functions. This enables the model to quickly adapt to new entities and estimate the uncertainty when making predictions. To capture general inductive patterns, we present a relational anonymous walk to extract a series of relational motifs from few-shot observations. These motifs reveal the distinctive semantic patterns on KGs that support inductive predictions. Extensive experiments on typical benchmark datasets demonstrate that our model derives new state-of-the-art performance.
A major challenge for deep reinforcement learning (DRL) agents is to collaborate with novel partners that were not encountered by them during the training phase. This is specifically worsened by an increased variance in action responses when the DRL agents collaborate with human partners due to the lack of consistency in human behaviors. Recent work have shown that training a single agent as the best response to a diverse population of training partners significantly increases an agent's robustness to novel partners. We further enhance the population-based training approach by introducing a Hierarchical Reinforcement Learning (HRL) based method for Human-AI Collaboration. Our agent is able to learn multiple best-response policies as its low-level policy while at the same time, it learns a high-level policy that acts as a manager which allows the agent to dynamically switch between the low-level best-response policies based on its current partner. We demonstrate that our method is able to dynamically adapt to novel partners of different play styles and skill levels in the 2-player collaborative Overcooked game environment. We also conducted a human study in the same environment to test the effectiveness of our method when partnering with real human subjects.
We design a receiver assembling several photomultipliers (PMTs) as an array to increase the field of view (FOV) of the receiver and adapt to multiuser situation over None-line-of-sight (NLOS) ultraviolet (UV) channels. Channel estimation and signal detection have been investigated according to the space division characteristics of the structure. Firstly, we adopt the balanced structure on the pilot matrix, analyze the channel estimation mean square error (MSE), and optimize the structure parameters. Then, with the estimated parameters, an analytical threshold detection rule is proposed as a preliminary work of multiuser detection. The detection rule can be optimized by analyzing the separability of two users based on the Gaussian approximation of Poisson weighted sum. To assess the effect of imperfect estimation, the sensitivity analysis of channel estimation error on two-user signal detection is performed. Moreover, we propose a successive elimination method for on-off keying (OOK) modulated multiuser symbol detection based on the previous threshold detection rule. A closed-form upper bound on the detection error rate is calculated, which turns out to be a good approximation of that of multiuser maximum-likelihood (ML) detection. The proposed successive elimination method is twenty times faster than the ML detection with negligible detection error rate degradation.