A central problem in computational biophysics is protein structure prediction, i.e., finding the optimal folding of a given amino acid sequence. This problem has been studied in a classical abstract model, the HP model, where the protein is modeled as a sequence of H (hydrophobic) and P (polar) amino acids on a lattice. The objective is to find conformations maximizing H-H contacts. It is known that even in this reduced setting, the problem is intractable (NP-hard). In this work, we apply deep reinforcement learning (DRL) to the two-dimensional HP model. We can obtain the conformations of best known energies for benchmark HP sequences with lengths from 20 to 50. Our DRL is based on a deep Q-network (DQN). We find that a DQN based on long short-term memory (LSTM) architecture greatly enhances the RL learning ability and significantly improves the search process. DRL can sample the state space efficiently, without the need of manual heuristics. Experimentally we show that it can find multiple distinct best-known solutions per trial. This study demonstrates the effectiveness of deep reinforcement learning in the HP model for protein folding.

我们考虑将机器学习模型相结合以执行更高级别的认知任务和明确规格的问题。我们提出了新的视觉歧视难题（VDP）的新问题，该问题需要找到可解释的歧视因子，这些歧视因子根据逻辑规范对图像进行分类。人类可以轻松解决这些难题，并提供强大，可验证和可解释的歧视者作为答案。我们提出了一个组成神经肌符号框架，该框架结合了一个神经网络，以检测对象和与符号学习者的关系，以发现可解释的歧视者。我们创建了涉及自然图像的大量VDP数据集，并表明与几种纯粹的神经方法相比，我们的神经成像框架表现出色。

Code generation models have achieved impressive performance. However, they tend to be brittle as slight edits to a prompt could lead to very different generations; these robustness properties, critical for user experience when deployed in real-life applications, are not well understood. Most existing works on robustness in text or code tasks have focused on classification, while robustness in generation tasks is an uncharted area and to date there is no comprehensive benchmark for robustness in code generation. In this paper, we propose ReCode, a comprehensive robustness evaluation benchmark for code generation models. We customize over 30 transformations specifically for code on docstrings, function and variable names, code syntax, and code format. They are carefully designed to be natural in real-life coding practice, preserve the original semantic meaning, and thus provide multifaceted assessments of a model's robustness performance. With human annotators, we verified that over 90% of the perturbed prompts do not alter the semantic meaning of the original prompt. In addition, we define robustness metrics for code generation models considering the worst-case behavior under each type of perturbation, taking advantage of the fact that executing the generated code can serve as objective evaluation. We demonstrate ReCode on SOTA models using HumanEval, MBPP, as well as function completion tasks derived from them. Interesting observations include: better robustness for CodeGen over InCoder and GPT-J; models are most sensitive to syntax perturbations; more challenging robustness evaluation on MBPP over HumanEval.

While pre-trained language models (LM) for code have achieved great success in code completion, they generate code conditioned only on the contents within the file, i.e., in-file context, but ignore the rich semantics in other files within the same project, i.e., cross-file context, a critical source of information that is especially useful in modern modular software development. Such overlooking constrains code language models' capacity in code completion, leading to unexpected behaviors such as generating hallucinated class member functions or function calls with unexpected arguments. In this work, we develop a cross-file context finder tool, CCFINDER, that effectively locates and retrieves the most relevant cross-file context. We propose CoCoMIC, a framework that incorporates cross-file context to learn the in-file and cross-file context jointly on top of pretrained code LMs. CoCoMIC successfully improves the existing code LM with a 19.30% relative increase in exact match and a 15.41% relative increase in identifier matching for code completion when the cross-file context is provided.

Online personalized recommendation services are generally hosted in the cloud where users query the cloud-based model to receive recommended input such as merchandise of interest or news feed. State-of-the-art recommendation models rely on sparse and dense features to represent users' profile information and the items they interact with. Although sparse features account for 99% of the total model size, there was not enough attention paid to the potential information leakage through sparse features. These sparse features are employed to track users' behavior, e.g., their click history, object interactions, etc., potentially carrying each user's private information. Sparse features are represented as learned embedding vectors that are stored in large tables, and personalized recommendation is performed by using a specific user's sparse feature to index through the tables. Even with recently-proposed methods that hides the computation happening in the cloud, an attacker in the cloud may be able to still track the access patterns to the embedding tables. This paper explores the private information that may be learned by tracking a recommendation model's sparse feature access patterns. We first characterize the types of attacks that can be carried out on sparse features in recommendation models in an untrusted cloud, followed by a demonstration of how each of these attacks leads to extracting users' private information or tracking users by their behavior over time.

Assessing the critical view of safety in laparoscopic cholecystectomy requires accurate identification and localization of key anatomical structures, reasoning about their geometric relationships to one another, and determining the quality of their exposure. In this work, we propose to capture each of these aspects by modeling the surgical scene with a disentangled latent scene graph representation, which we can then process using a graph neural network. Unlike previous approaches using graph representations, we explicitly encode in our graphs semantic information such as object locations and shapes, class probabilities and visual features. We also incorporate an auxiliary image reconstruction objective to help train the latent graph representations. We demonstrate the value of these components through comprehensive ablation studies and achieve state-of-the-art results for critical view of safety prediction across multiple experimental settings.

We apply reinforcement learning (RL) to robotics. One of the drawbacks of traditional RL algorithms has been their poor sample efficiency. One approach to improve it is model-based RL. We learn a model of the environment, essentially its dynamics and reward function, use it to generate imaginary trajectories and backpropagate through them to update the policy, exploiting the differentiability of the model. Intuitively, learning more accurate models should lead to better performance. Recently, there has been growing interest in developing better deep neural network based dynamics models for physical systems, through better inductive biases. We focus on robotic systems undergoing rigid body motion. We compare two versions of our model-based RL algorithm, one which uses a standard deep neural network based dynamics model and the other which uses a much more accurate, physics-informed neural network based dynamics model. We show that, in environments that are not sensitive to initial conditions, model accuracy matters only to some extent, as numerical errors accumulate slowly. In these environments, both versions achieve similar average-return, while the physics-informed version achieves better sample efficiency. We show that, in environments that are sensitive to initial conditions, model accuracy matters a lot, as numerical errors accumulate fast. In these environments, the physics-informed version achieves significantly better average-return and sample efficiency. We show that, in challenging environments, where we need a lot of samples to learn, physics-informed model-based RL can achieve better asymptotic performance than model-free RL, by generating accurate imaginary data, which allows it to perform many more policy updates. In these environments, our physics-informed model-based RL approach achieves better average-return than Soft Actor-Critic, a SOTA model-free RL algorithm.

Very large language models such as GPT-3 have shown impressive performance across a wide variety of tasks, including text summarization. In this paper, we show that this strong performance extends to opinion summarization. We explore several pipeline methods for applying GPT-3 to summarize a large collection of user reviews in a zero-shot fashion, notably approaches based on recursive summarization and selecting salient content to summarize through supervised clustering or extraction. On two datasets, an aspect-oriented summarization dataset of hotel reviews and a generic summarization dataset of Amazon and Yelp reviews, we show that the GPT-3 models achieve very strong performance in human evaluation. We argue that standard evaluation metrics do not reflect this, and evaluate against several new measures targeting faithfulness, factuality, and genericity to contrast these different methods.

In the past few years, Artificial Intelligence (AI) has garnered attention from various industries including financial services (FS). AI has made a positive impact in financial services by enhancing productivity and improving risk management. While AI can offer efficient solutions, it has the potential to bring unintended consequences. One such consequence is the pronounced effect of AI-related unfairness and attendant fairness-related harms. These fairness-related harms could involve differential treatment of individuals; for example, unfairly denying a loan to certain individuals or groups of individuals. In this paper, we focus on identifying and mitigating individual unfairness and leveraging some of the recently published techniques in this domain, especially as applicable to the credit adjudication use case. We also investigate the extent to which techniques for achieving individual fairness are effective at achieving group fairness. Our main contribution in this work is functionalizing a two-step training process which involves learning a fair similarity metric from a group sense using a small portion of the raw data and training an individually "fair" classifier using the rest of the data where the sensitive features are excluded. The key characteristic of this two-step technique is related to its flexibility, i.e., the fair metric obtained in the first step can be used with any other individual fairness algorithms in the second step. Furthermore, we developed a second metric (distinct from the fair similarity metric) to determine how fairly a model is treating similar individuals. We use this metric to compare a "fair" model against its baseline model in terms of their individual fairness value. Finally, some experimental results corresponding to the individual unfairness mitigation techniques are presented.

Machine learning and deep learning-based decision making has become part of today's software. The goal of this work is to ensure that machine learning and deep learning-based systems are as trusted as traditional software. Traditional software is made dependable by following rigorous practice like static analysis, testing, debugging, verifying, and repairing throughout the development and maintenance life-cycle. Similarly for machine learning systems, we need to keep these models up to date so that their performance is not compromised. For this, current systems rely on scheduled re-training of these models as new data kicks in. In this work, we propose to measure the data drift that takes place when new data kicks in so that one can adaptively re-train the models whenever re-training is actually required irrespective of schedules. In addition to that, we generate various explanations at sentence level and dataset level to capture why a given payload text has drifted.