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This paper investigates the impact of using gradient norm reward signals in the context of Automatic Curriculum Learning (ACL) for deep reinforcement learning (DRL). We introduce a framework where the teacher model, utilizing the gradient norm information of a student model, dynamically adapts the learning curriculum. This approach is based on the hypothesis that gradient norms can provide a nuanced and effective measure of learning progress. Our experimental setup involves several reinforcement learning environments (PointMaze, AntMaze, and AdroitHandRelocate), to assess the efficacy of our method. We analyze how gradient norm rewards influence the teacher's ability to craft challenging yet achievable learning sequences, ultimately enhancing the student's performance. Our results show that this approach not only accelerates the learning process but also leads to improved generalization and adaptability in complex tasks. The findings underscore the potential of gradient norm signals in creating more efficient and robust ACL systems, opening new avenues for research in curriculum learning and reinforcement learning.

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Large Language Models (LLMs) excel in diverse areas, yet struggle with complex scientific reasoning, especially in the field of chemistry. Different from the simple chemistry tasks (e.g., molecule classification) addressed in previous studies, complex chemistry problems require not only vast knowledge and precise calculation, but also compositional reasoning about rich dynamic interactions of different concepts (e.g., temperature changes). Our study shows that even advanced LLMs, like GPT-4, can fail easily in different ways. Interestingly, the errors often stem not from a lack of domain knowledge within the LLMs, but rather from the absence of an effective reasoning structure that guides the LLMs to elicit the right knowledge, incorporate the knowledge in step-by-step reasoning, and iteratively refine results for further improved quality. On this basis, we introduce StructChem, a simple yet effective prompting strategy that offers the desired guidance and substantially boosts the LLMs' chemical reasoning capability. Testing across four chemistry areas -- quantum chemistry, mechanics, physical chemistry, and kinetics -- StructChem substantially enhances GPT-4's performance, with up to 30\% peak improvement. Our analysis also underscores the unique difficulties of precise grounded reasoning in science with LLMs, highlighting a need for more research in this area. Code is available at \url{//github.com/ozyyshr/StructChem}.

This paper presents a methodology for the discretization and reduction of a class of one-dimensional Partial Differential Equations (PDEs) with inputs and outputs collocated at the spatial boundaries. The class of system that we consider is known as Boundary-Controlled Port-Hamiltonian Systems (BC-PHSs) and covers a wide class of Hyperbolic PDEs with a large type of boundary inputs and outputs. This is for instance the case of waves and beams with Neumann or Dirichlet boundary conditions at both sides and mixed boundary conditions. In addition, we recall the Loewner framework to reduce the discretized model. We show that if the initial PDE is {\it passive}, the discretized model is also. Moreover, if the initial PDE is {\it impedance energy preserving}, the discretized model is also. The {\it passive} structure is also preserved in the reduced-order if the selected frequency data has positive real part. We use the one-dimensional wave equation and the Timoshenko beam as examples to show the versatility of the proposed approach.

The success of Reinforcement Learning (RL) heavily relies on the ability to learn robust representations from the observations of the environment. In most cases, the representations learned purely by the reinforcement learning loss can differ vastly across states depending on how the value functions change. However, the representations learned need not be very specific to the task at hand. Relying only on the RL objective may yield representations that vary greatly across successive time steps. In addition, since the RL loss has a changing target, the representations learned would depend on how good the current values/policies are. Thus, disentangling the representations from the main task would allow them to focus not only on the task-specific features but also the environment dynamics. To this end, we propose locally constrained representations, where an auxiliary loss forces the state representations to be predictable by the representations of the neighboring states. This encourages the representations to be driven not only by the value/policy learning but also by an additional loss that constrains the representations from over-fitting to the value loss. We evaluate the proposed method on several known benchmarks and observe strong performance. Especially in continuous control tasks, our experiments show a significant performance improvement.

In the realm of causal inference, Potential Outcomes (PO) and Structural Causal Models (SCM) are recognized as the principal frameworks.However, when it comes to Layer 3 valuations -- counterfactual queries deeply entwined with individual-level semantics -- both frameworks encounter limitations due to the degenerative issues brought forth by the consistency rule. This paper advocates for the Distribution-consistency Structural Causal Models (DiscoSCM) framework as a pioneering approach to counterfactual inference, skillfully integrating the strengths of both PO and SCM. The DiscoSCM framework distinctively incorporates a unit selection variable $U$ and embraces the concept of uncontrollable exogenous noise realization. Through personalized incentive scenarios, we demonstrate the inadequacies of PO and SCM frameworks in representing the probability of a user being a complier (a Layer 3 event) without degeneration, an issue adeptly resolved by adopting the assumption of independent counterfactual noises within DiscoSCM. This innovative assumption broadens the foundational counterfactual theory, facilitating the extension of numerous theoretical results regarding the probability of causation to an individual granularity level and leading to a comprehensive set of theories on heterogeneous counterfactual bounds. Ultimately, our paper posits that if one acknowledges and wishes to leverage the ubiquitous heterogeneity, understanding causality as invariance across heterogeneous units, then DiscoSCM stands as a significant advancement in the methodology of counterfactual inference.

The recognition performance of biometric systems strongly depends on the quality of the compared biometric samples. Motivated by the goal of establishing a common understanding of face image quality and enabling system interoperability, the committee draft of ISO/IEC 29794-5 introduces expression neutrality as one of many component quality elements affecting recognition performance. In this study, we train classifiers to assess facial expression neutrality using seven datasets. We conduct extensive performance benchmarking to evaluate their classification and face recognition utility prediction abilities. Our experiments reveal significant differences in how each classifier distinguishes "neutral" from "non-neutral" expressions. While Random Forests and AdaBoost classifiers are most suitable for distinguishing neutral from non-neutral facial expressions with high accuracy, they underperform compared to Support Vector Machines in predicting face recognition utility.

This paper introduces a novel approach to leverage the generalizability capability of Diffusion Models for Source-Free Domain Adaptation (DM-SFDA). Our proposed DM-SFDA method involves fine-tuning a pre-trained text-to-image diffusion model to generate source domain images using features from the target images to guide the diffusion process. Specifically, the pre-trained diffusion model is fine-tuned to generate source samples that minimize entropy and maximize confidence for the pre-trained source model. We then apply established unsupervised domain adaptation techniques to align the generated source images with target domain data. We validate our approach through comprehensive experiments across a range of datasets, including Office-31, Office-Home, and VisDA. The results highlight significant improvements in SFDA performance, showcasing the potential of diffusion models in generating contextually relevant, domain-specific images.

Recent artificial intelligence (AI) systems have reached milestones in "grand challenges" ranging from Go to protein-folding. The capability to retrieve medical knowledge, reason over it, and answer medical questions comparably to physicians has long been viewed as one such grand challenge. Large language models (LLMs) have catalyzed significant progress in medical question answering; Med-PaLM was the first model to exceed a "passing" score in US Medical Licensing Examination (USMLE) style questions with a score of 67.2% on the MedQA dataset. However, this and other prior work suggested significant room for improvement, especially when models' answers were compared to clinicians' answers. Here we present Med-PaLM 2, which bridges these gaps by leveraging a combination of base LLM improvements (PaLM 2), medical domain finetuning, and prompting strategies including a novel ensemble refinement approach. Med-PaLM 2 scored up to 86.5% on the MedQA dataset, improving upon Med-PaLM by over 19% and setting a new state-of-the-art. We also observed performance approaching or exceeding state-of-the-art across MedMCQA, PubMedQA, and MMLU clinical topics datasets. We performed detailed human evaluations on long-form questions along multiple axes relevant to clinical applications. In pairwise comparative ranking of 1066 consumer medical questions, physicians preferred Med-PaLM 2 answers to those produced by physicians on eight of nine axes pertaining to clinical utility (p < 0.001). We also observed significant improvements compared to Med-PaLM on every evaluation axis (p < 0.001) on newly introduced datasets of 240 long-form "adversarial" questions to probe LLM limitations. While further studies are necessary to validate the efficacy of these models in real-world settings, these results highlight rapid progress towards physician-level performance in medical question answering.

The real-world data tends to be heavily imbalanced and severely skew the data-driven deep neural networks, which makes Long-Tailed Recognition (LTR) a massive challenging task. Existing LTR methods seldom train Vision Transformers (ViTs) with Long-Tailed (LT) data, while the off-the-shelf pretrain weight of ViTs always leads to unfair comparisons. In this paper, we systematically investigate the ViTs' performance in LTR and propose LiVT to train ViTs from scratch only with LT data. With the observation that ViTs suffer more severe LTR problems, we conduct Masked Generative Pretraining (MGP) to learn generalized features. With ample and solid evidence, we show that MGP is more robust than supervised manners. In addition, Binary Cross Entropy (BCE) loss, which shows conspicuous performance with ViTs, encounters predicaments in LTR. We further propose the balanced BCE to ameliorate it with strong theoretical groundings. Specially, we derive the unbiased extension of Sigmoid and compensate extra logit margins to deploy it. Our Bal-BCE contributes to the quick convergence of ViTs in just a few epochs. Extensive experiments demonstrate that with MGP and Bal-BCE, LiVT successfully trains ViTs well without any additional data and outperforms comparable state-of-the-art methods significantly, e.g., our ViT-B achieves 81.0% Top-1 accuracy in iNaturalist 2018 without bells and whistles. Code is available at //github.com/XuZhengzhuo/LiVT.

Graph Neural Networks (GNNs) have shown promising results on a broad spectrum of applications. Most empirical studies of GNNs directly take the observed graph as input, assuming the observed structure perfectly depicts the accurate and complete relations between nodes. However, graphs in the real world are inevitably noisy or incomplete, which could even exacerbate the quality of graph representations. In this work, we propose a novel Variational Information Bottleneck guided Graph Structure Learning framework, namely VIB-GSL, in the perspective of information theory. VIB-GSL advances the Information Bottleneck (IB) principle for graph structure learning, providing a more elegant and universal framework for mining underlying task-relevant relations. VIB-GSL learns an informative and compressive graph structure to distill the actionable information for specific downstream tasks. VIB-GSL deduces a variational approximation for irregular graph data to form a tractable IB objective function, which facilitates training stability. Extensive experimental results demonstrate that the superior effectiveness and robustness of VIB-GSL.

Deep neural networks (DNNs) have been found to be vulnerable to adversarial examples resulting from adding small-magnitude perturbations to inputs. Such adversarial examples can mislead DNNs to produce adversary-selected results. Different attack strategies have been proposed to generate adversarial examples, but how to produce them with high perceptual quality and more efficiently requires more research efforts. In this paper, we propose AdvGAN to generate adversarial examples with generative adversarial networks (GANs), which can learn and approximate the distribution of original instances. For AdvGAN, once the generator is trained, it can generate adversarial perturbations efficiently for any instance, so as to potentially accelerate adversarial training as defenses. We apply AdvGAN in both semi-whitebox and black-box attack settings. In semi-whitebox attacks, there is no need to access the original target model after the generator is trained, in contrast to traditional white-box attacks. In black-box attacks, we dynamically train a distilled model for the black-box model and optimize the generator accordingly. Adversarial examples generated by AdvGAN on different target models have high attack success rate under state-of-the-art defenses compared to other attacks. Our attack has placed the first with 92.76% accuracy on a public MNIST black-box attack challenge.

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