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Advances in machine learning have enabled the prediction of immune system responses to prophylactic and therapeutic vaccines. However, the engineering task of designing vaccines remains a challenge. In particular, the genetic variability of the human immune system makes it difficult to design peptide vaccines that provide widespread immunity in vaccinated populations.  We introduce a framework for evaluating and designing peptide vaccines that uses probabilistic machine learning models, and demonstrate its ability to produce designs for a SARS-CoV-2 vaccine that outperform previous designs.  We provide a theoretical analysis of the approximability, scalability, and complexity of our framework.

AAAI 2023

Constrained Submodular Optimization for Vaccine Design

cso: constraint optimization

app: bioinformatics

medicine & wellness

app: healthcare

The purpose of the AAAI conference series is to promote research in Artificial Intelligence (AI) and foster scientific exchange between researchers, practitioners, scientists, students, and engineers across the entirety of AI and its affiliated disciplines. AAAI-23 is the Thirty-Seventh AAAI Conference on Artificial Intelligence. The theme of this conference is to create collaborative bridges within and beyond AI. Like previous AAAI conferences, AAAI-23 will feature technical paper presentations, special tracks, invited speakers, workshops, tutorials, poster sessions, senior member presentations, competitions, and exhibit programs, and two new activities: a Bridge Program and a Lab Program. Many of these activities are tailored to the theme of bridges and all are selected according to the highest standards, with additional programs for students and young researchers. 
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The purpose of the AAAI conference series is to promote research in Artificial Intelligence (AI) and foster scientific exchange between researchers, practitioners, scientists, students, and engineers across the entirety of AI and its affiliated disciplines.

poster

We study a fair allocation problem of indivisible items under additive externalities in which each agent also receives utility from items that are assigned to other agents. This allows us to capture scenarios in which agents benefit from or compete against one another. We extend the well-studied properties of envy-freeness up to one item (EF1) and envy-freeness up to any item (EFX) to this setting, and we propose a new fairness concept called general fair share (GFS), which applies to a more general public decision making model. We undertake a detailed study and present algorithms for finding fair allocations. 

Fairness Concepts for Indivisible Items with Externalities

Proximal Policy Optimization (PPO) is an important reinforcement learning method, which has achieved great success in sequential decision-making problems. However, PPO faces the issue of sample inefficiency, which is due to the PPO cannot make use of off-policy data. In this paper, we propose an Off-Policy Proximal Policy Optimization method (Off-Policy PPO) that improves the sample efficiency of PPO by utilizing off-policy data. Specifically, we first propose a clipped surrogate objective function that can utilize off-policy data and avoid excessively large policy updates. Next, we theoretically clarify the stability of the optimization process of the proposed surrogate objective by demonstrating the degree of policy update distance is consistent with that in the PPO. We then describe the implementation details of the proposed Off-Policy PPO which iteratively updates policies by optimizing the proposed clipped surrogate objective. Finally, the experimental results on representative continuous control tasks validate that our method outperforms the state-of-the-art methods on most tasks. 

Off-Policy Proximal Policy Optimization

Skeleton-based human action recognition and analysis have become increasingly attainable in many areas, such as security surveillance and anomaly detection. Given the prevalence of skeleton-based applications, tampering attacks on human skeletal features have emerged very recently. In particular, checking the temporal inconsistency and/or incoherence (TII) in the skeletal sequence of human action is a principle of forgery detection. To this end, we propose an approach to self-supervised learning of the temporal causality behind human action, which can effectively check TII in skeletal sequences. Especially, we design a multilevel skeleton-based forgery detection framework to recognize the forgery on frame level, clip level, and action level in terms of learning the corresponding temporal-causal skeleton representations for each level. Specifically, a hierarchical graph convolution network architecture is designed to learn low-level skeleton representations based on physical skeleton connections and high-level action representations based on temporal-causal dependencies for specific actions. Extensive experiments consistently show state-of-the-art results on multilevel forgery detection tasks and superior performance of our framework compared to current competing methods.

Self-supervised Learning for Multilevel Skeleton-based Forgery Detection via Temporal-Causal Consistency of Actions

Feature acquisition in predictive modeling is an important task in many practical applications. For example, in patient health prediction, we do not fully observe their personal features and need to dynamically select features to acquire. Our goal is to acquire a small subset of features that maximize prediction performance. Recently, some works reformulated feature acquisition as a Markov decision process and applied reinforcement learning (RL) algorithms, where the reward reflects both prediction performance and feature acquisition cost. However, RL algorithms only use zeroth-order information on the reward, which leads to slow empirical convergence, especially when there are many actions (number of features) to consider. For predictive modeling, it is possible to use first-order information on the reward, i.e., gradients, since we are often given an already collected dataset. Therefore, we propose differentiable feature acquisition (DiFA), which uses a differentiable representation of the feature selection policy to enable gradients to flow from the prediction loss to the policy parameters. We conduct extensive experiments on various real-world datasets and show that DiFA significantly outperforms existing feature acquisition methods when the number of features is large. 

DiFA: Differentiable Feature Acquisition

We study the expressibility and learnability of solution functions of convex optimization and their multi-layer architectural extension. The main results are: (1) the class of solution functions of linear programming (LP) and quadratic programming (QP) is a universal approximant for the $C^k$ smooth model class or some restricted Sobolev space, and we characterize the rate-distortion, (2) the approximation power is investigated through a viewpoint of regression error, where information about the target function is provided in terms of data observations, (3) compositionality in the form of deep architecture with optimization as a layer is shown to reconstruct some basic functions used in numerical analysis without error, which implies that (4) a substantial reduction in rate-distortion can be achieved with a universal network architecture, and (5) we discuss the statistical bounds of empirical covering numbers for LP/QP, as well as a generic optimization problem (possibly nonconvex) by exploiting tame geometry. Our results provide the **first rigorous analysis of the approximation and learning-theoretic properties of solution functions** with implications for algorithmic design and performance guarantees.

On Solution Functions of Optimization: Universal Approximation and Covering Number Bounds

Multi-view deep classification expects to obtain better classification performance than using a single view. However, due to the uncertainty and inconsistency of data sources, adding data views does not necessarily lead to the performance improvements in multi-view classification. How to avoid worsening classification performance when adding views is crucial for multi-view deep learning but rarely studied. To tackle this limitation, in this paper, we reformulate the multi-view classification problem from the perspective of safe learning and thereby propose a Safe Multi-view Deep Classification (SMDC) method, which can guarantee that the classification performance does not deteriorate when fusing multiple views. In the SMDC method, we dynamically integrate multiple views and estimate the inherent uncertainties among multiple views with different root causes based on evidence theory. Through minimizing the uncertainties, SMDC promotes the evidences from data views for correct classification, and in the meantime excludes the incorrect evidences to produce the safe multi-view classification results. Furthermore, we theoretically prove that in the safe multi-view classification, adding data views will certainly not increase the empirical risk of classification. The experiments on various kinds of multi-view datasets validate that the proposed SMDC method can achieve precise and safe classification results.

Safe Multi-View Deep Classification

Multi-view Comprehensive Representation Learning (MCRL) aims to synthesize information from multiple views to learn comprehensive representations of data items. Prevalent deep MCRL methods typically concatenate synergistic view-specific representations or average aligned view-specific representations in the fusion stage. However, the performance of synergistic fusion methods inevitably degenerate or even fail when partial views are missing in real-world applications; the aligned based fusion methods usually cannot fully exploit the complementarity of multi-view data. To eliminate all these drawbacks, in this work we present a Progressive Deep Multi-view Fusion (PDMF) method. Considering the multi-view comprehensive representation should contain complete information and the view-specific data contain partial information, we deem that it is unstable to directly learn the mapping from partial information to complete information. Hence, PDMF employs a progressive learning strategy, which contains the pre-training and fine-tuning stages. In the pre-training stage, PDMF decodes the auxiliary comprehensive representation to the view-specific data. It also captures the consistency and complementarity by learning the relations between the dimensions of the auxiliary comprehensive representation and all views. In the fine-tuning stage, PDMF learns the mapping from the original data to the comprehensive representation with the help of the auxiliary comprehensive representation and relations. Experiments conducted on a synthetic toy dataset and 4 real-world datasets show that PDMF outperforms state-of-the-art baseline methods. The code is released at https://github.com/winterant/PDMF.

Progressive Deep Multi-view Comprehensive Representation Learning

Image super-resolution (SR) serves as a fundamental tool for the processing and transmission of multimedia data. Recently, Transformer-based models have achieved competitive performances in image SR. They divide images into fixed-size patches and apply self-attention on these patches to model long-range dependencies among pixels. However, this architecture design is originated for high-level vision tasks, which lacks design guideline from SR knowledge. In this paper, we aim to design a new attention block whose insights are from the interpretation of Local Attribution Map (LAM) for SR networks.  Specifically, LAM presents a hierarchical importance map where the most important pixels are located in a fine area of a patch and some less important pixels are spread in a coarse area of the whole image. To access pixels in the coarse area, instead of using a very large patch size, we propose a lightweight Global Pixel Access (GPA) module that applies cross-attention with the most similar patch in an image. In the fine area, we use an Intra-Patch Self-Attention (IPSA) module to model long-range pixel dependencies in a local patch, and then a $3\times3$ convolution is applied to process the finest details. In addition, a Cascaded Patch Division (CPD) strategy is proposed to enhance perceptual quality of recovered images. Extensive experiments suggest that our method outperforms state-of-the-art lightweight SR methods by a large margin. Code is available at \url{https://github.com/passerer/HPINet}.

From Coarse to Fine: Hierarchical Pixel Integration for Lightweight Image Super-Resolution

This work presents Z-Mask, an effective and deterministic strategy to improve the adversarial robustness of convolutional networks against physically-realizable adversarial attacks.
The presented defense relies on specific Z-score analysis performed on the internal network features to detect and mask the pixels corresponding to adversarial objects in the input image. To this end, spatially contiguous activations are examined in shallow and deep layers to suggest potential adversarial regions. Such proposals are then aggregated through a multi-thresholding mechanism.
The effectiveness of Z-Mask is evaluated with an extensive set of experiments carried out on models for semantic segmentation and object detection. The evaluation is performed with both digital patches added to the input images and printed patches in the real world.
The results confirm that Z-Mask outperforms the state-of-the-art methods in terms of detection accuracy and overall performance of the networks under attack.
Furthermore, Z-Mask preserves its robustness against defense-aware attacks, making it suitable for safe and secure AI applications.

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Constrained Submodular Optimization for Vaccine Design

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