OpenRaiser/Intern-Atlas huggingface dataset:
Technical Companion to Example-Based Procedural Modeling Using Graph Grammars
Venue: arXiv cs.GR 2023
Year: 2023

This is a companion piece to my paper on "Example-Based Procedural Modeling Using Graph Grammars." This paper examines some of the theoretical issues in more detail. This paper discusses some more complex parts of the implementation, why certain algorithmic decisions were made, proves the algorithm can solve certain classes of problems, and examines other interesting theoretical questions.
Efficient Surrogate Models for Materials Science Simulations: Machine Learning-based Prediction of Microstructure Properties
Venue: arXiv cs.LG 2023
Year: 2023

Determining, understanding, and predicting the so-called structure-property relation is an important task in many scientific disciplines, such as chemistry, biology, meteorology, physics, engineering, and materials science. Structure refers to the spatial distribution of, e.g., substances, material, or matter in general, while property is a resulting characteristic that usually depends in a non-trivial way on spatial details of the structure. Traditionally, forward simulations models have been used for such tasks. Recently, several machine learning algorithms have been applied in these scientific fields to enhance and accelerate simulation models or as surrogate models. In this work, we develop and investigate the applications of six machine learning techniques based on two different datasets from the domain of materials science: data from a two-dimensional Ising model for predicting the formation of magnetic domains and data representing the evolution of dual-phase microstructures from the Cahn-Hilliard model. We analyze the accuracy and robustness of all models and elucidate the reasons for the differences in their performances. The impact of including domain knowledge through tailored features is studied, and general recommendations based on the availability and quality of training data are derived from this.
Deep Segmented DMP Networks for Learning Discontinuous Motions
Venue: arXiv cs.RO 2023
Year: 2023

Discontinuous motion which is a motion composed of multiple continuous motions with sudden change in direction or velocity in between, can be seen in state-aware robotic tasks. Such robotic tasks are often coordinated with sensor information such as image. In recent years, Dynamic Movement Primitives (DMP) which is a method for generating motor behaviors suitable for robotics has garnered several deep learning based improvements to allow associations between sensor information and DMP parameters. While the implementation of deep learning framework does improve upon DMP's inability to directly associate to an input, we found that it has difficulty learning DMP parameters for complex motion which requires large number of basis functions to reconstruct. In this paper we propose a novel deep learning network architecture called Deep Segmented DMP Network (DSDNet) which generates variable-length segmented motion by utilizing the combination of multiple DMP parameters predicting network architecture, double-stage decoder network, and number of segments predictor. The proposed method is evaluated on both artificial data (object cutting & pick-and-place) and real data (object cutting) where our proposed method could achieve high generalization capability, task-achievement, and data-efficiency compared to previous method on generating discontinuous long-horizon motions.
Learning State-Space Models for Mapping Spatial Motion Patterns
Venue: arXiv cs.RO 2023
Year: 2023

Mapping the surrounding environment is essential for the successful operation of autonomous robots. While extensive research has focused on mapping geometric structures and static objects, the environment is also influenced by the movement of dynamic objects. Incorporating information about spatial motion patterns can allow mobile robots to navigate and operate successfully in populated areas. In this paper, we propose a deep state-space model that learns the map representations of spatial motion patterns and how they change over time at a certain place. To evaluate our methods, we use two different datasets: one generated dataset with specific motion patterns and another with real-world pedestrian data. We test the performance of our model by evaluating its learning ability, mapping quality, and application to downstream tasks. The results demonstrate that our model can effectively learn the corresponding motion pattern, and has the potential to be applied to robotic application tasks.
Advancing Personalized Federated Learning: Group Privacy, Fairness, and Beyond
Venue: arXiv cs.LG 2023
Year: 2023

Federated learning (FL) is a framework for training machine learning models in a distributed and collaborative manner. During training, a set of participating clients process their data stored locally, sharing only the model updates obtained by minimizing a cost function over their local inputs. FL was proposed as a stepping-stone towards privacy-preserving machine learning, but it has been shown vulnerable to issues such as leakage of private information, lack of personalization of the model, and the possibility of having a trained model that is fairer to some groups than to others. In this paper, we address the triadic interaction among personalization, privacy guarantees, and fairness attained by models trained within the FL framework. Differential privacy and its variants have been studied and applied as cutting-edge standards for providing formal privacy guarantees. However, clients in FL often hold very diverse datasets representing heterogeneous communities, making it important to protect their sensitive information while still ensuring that the trained model upholds the aspect of fairness for the users. To attain this objective, a method is put forth that introduces group privacy assurances through the utilization of $d$-privacy (aka metric privacy). $d$-privacy represents a localized form of differential privacy that relies on a metric-oriented obfuscation approach to maintain the original data's topological distribution. This method, besides enabling personalized model training in a federated approach and providing formal privacy guarantees, possesses significantly better group fairness measured under a variety of standard metrics than a global model trained within a classical FL template. Theoretical justifications for the applicability are provided, as well as experimental validation on real-world datasets to illustrate the working of the proposed method.
Area-norm COBRA on Conditional Survival Prediction
Venue: arXiv cs.LG 2023
Year: 2023

The paper explores a different variation of combined regression strategy to calculate the conditional survival function. We use regression based weak learners to create the proposed ensemble technique. The proposed combined regression strategy uses proximity measure as area between two survival curves. The proposed model shows a construction which ensures that it performs better than the Random Survival Forest. The paper discusses a novel technique to select the most important variable in the combined regression setup. We perform a simulation study to show that our proposition for finding relevance of the variables works quite well. We also use three real-life datasets to illustrate the model.
Intuitionistic Gödel-Löb logic, à la Simpson: labelled systems and birelational semantics
Venue: arXiv cs.LO 2023
Year: 2023

We derive an intuitionistic version of Gödel-Löb modal logic ($\sf{GL}$) in the style of Simpson, via proof theoretic techniques. We recover a labelled system, $\sf{\ell IGL}$, by restricting a non-wellfounded labelled system for $\sf{GL}$ to have only one formula on the right. The latter is obtained using techniques from cyclic proof theory, sidestepping the barrier that $\sf{GL}$'s usual frame condition (converse well-foundedness) is not first-order definable. While existing intuitionistic versions of $\sf{GL}$ are typically defined over only the box (and not the diamond), our presentation includes both modalities. Our main result is that $\sf{\ell IGL}$ coincides with a corresponding semantic condition in birelational semantics: the composition of the modal relation and the intuitionistic relation is conversely well-founded. We call the resulting logic $\sf{IGL}$. While the soundness direction is proved using standard ideas, the completeness direction is more complex and necessitates a detour through several intermediate characterisations of $\sf{IGL}$.
Modular, Multi-Robot Integration of Laboratories: An Autonomous Solid-State Workflow for Powder X-Ray Diffraction
Venue: arXiv cs.RO 2023
Year: 2023

Automation can transform productivity in research activities that use liquid handling, such as organic synthesis, but it has made less impact in materials laboratories, which require sample preparation steps and a range of solid-state characterization techniques. For example, powder X-ray diffraction (PXRD) is a key method in materials and pharmaceutical chemistry, but its end-to-end automation is challenging because it involves solid powder handling and sample processing. Here we present a fully autonomous solid-state workflow for PXRD experiments that can match or even surpass manual data quality. The workflow involves 12 steps performed by a team of three multipurpose robots, illustrating the power of flexible, modular automation to integrate complex, multitask laboratories.
PolyGET: Accelerating Polymer Simulations by Accurate and Generalizable Forcefield with Equivariant Transformer
Venue: arXiv cs.LG 2023
Year: 2023

Polymer simulation with both accuracy and efficiency is a challenging task. Machine learning (ML) forcefields have been developed to achieve both the accuracy of ab initio methods and the efficiency of empirical force fields. However, existing ML force fields are usually limited to single-molecule settings, and their simulations are not robust enough. In this paper, we present PolyGET, a new framework for Polymer Forcefields with Generalizable Equivariant Transformers. PolyGET is designed to capture complex quantum interactions between atoms and generalize across various polymer families, using a deep learning model called Equivariant Transformers. We propose a new training paradigm that focuses exclusively on optimizing forces, which is different from existing methods that jointly optimize forces and energy. This simple force-centric objective function avoids competing objectives between energy and forces, thereby allowing for learning a unified forcefield ML model over different polymer families. We evaluated PolyGET on a large-scale dataset of 24 distinct polymer types and demonstrated state-of-the-art performance in force accuracy and robust MD simulations. Furthermore, PolyGET can simulate large polymers with high fidelity to the reference ab initio DFT method while being able to generalize to unseen polymers.
Finite Element Analysis and Machine Learning Guided Design of Carbon Fiber Organosheet-based Battery Enclosures for Crashworthiness
Venue: arXiv cs.LG 2023
Year: 2023

Carbon fiber composite can be a potential candidate for replacing metal-based battery enclosures of current electric vehicles (E.V.s) owing to its better strength-to-weight ratio and corrosion resistance. However, the strength of carbon fiber-based structures depends on several parameters that should be carefully chosen. In this work, we implemented high throughput finite element analysis (FEA) based thermoforming simulation to virtually manufacture the battery enclosure using different design and processing parameters. Subsequently, we performed virtual crash simulations to mimic a side pole crash to evaluate the crashworthiness of the battery enclosures. This high throughput crash simulation dataset was utilized to build predictive models to understand the crashworthiness of an unknown set. Our machine learning (ML) models showed excellent performance (R2 > 0.97) in predicting the crashworthiness metrics, i.e., crush load efficiency, absorbed energy, intrusion, and maximum deceleration during a crash. We believe that this FEA-ML work framework will be helpful in down select process parameters for carbon fiber-based component design and can be transferrable to other manufacturing technologies.
The Use of Synthetic Data to Train AI Models: Opportunities and Risks for Sustainable Development
Venue: arXiv cs.LG 2023
Year: 2023

In the current data driven era, synthetic data, artificially generated data that resembles the characteristics of real world data without containing actual personal information, is gaining prominence. This is due to its potential to safeguard privacy, increase the availability of data for research, and reduce bias in machine learning models. This paper investigates the policies governing the creation, utilization, and dissemination of synthetic data. Synthetic data can be a powerful instrument for protecting the privacy of individuals, but it also presents challenges, such as ensuring its quality and authenticity. A well crafted synthetic data policy must strike a balance between privacy concerns and the utility of data, ensuring that it can be utilized effectively without compromising ethical or legal standards. Organizations and institutions must develop standardized guidelines and best practices in order to capitalize on the benefits of synthetic data while addressing its inherent challenges.
Zero-Shot Video Moment Retrieval from Frozen Vision-Language Models
Venue: arXiv cs.CV 2023
Year: 2023

Accurate video moment retrieval (VMR) requires universal visual-textual correlations that can handle unknown vocabulary and unseen scenes. However, the learned correlations are likely either biased when derived from a limited amount of moment-text data which is hard to scale up because of the prohibitive annotation cost (fully-supervised), or unreliable when only the video-text pairwise relationships are available without fine-grained temporal annotations (weakly-supervised). Recently, the vision-language models (VLM) demonstrate a new transfer learning paradigm to benefit different vision tasks through the universal visual-textual correlations derived from large-scale vision-language pairwise web data, which has also shown benefits to VMR by fine-tuning in the target domains. In this work, we propose a zero-shot method for adapting generalisable visual-textual priors from arbitrary VLM to facilitate moment-text alignment, without the need for accessing the VMR data. To this end, we devise a conditional feature refinement module to generate boundary-aware visual features conditioned on text queries to enable better moment boundary understanding. Additionally, we design a bottom-up proposal generation strategy that mitigates the impact of domain discrepancies and breaks down complex-query retrieval tasks into individual action retrievals, thereby maximizing the benefits of VLM. Extensive experiments conducted on three VMR benchmark datasets demonstrate the notable performance advantages of our zero-shot algorithm, especially in the novel-word and novel-location out-of-distribution setups.
Taken out of context: On measuring situational awareness in LLMs
Venue: arXiv cs.CL 2023
Year: 2023

We aim to better understand the emergence of `situational awareness' in large language models (LLMs). A model is situationally aware if it's aware that it's a model and can recognize whether it's currently in testing or deployment. Today's LLMs are tested for safety and alignment before they are deployed. An LLM could exploit situational awareness to achieve a high score on safety tests, while taking harmful actions after deployment. Situational awareness may emerge unexpectedly as a byproduct of model scaling. One way to better foresee this emergence is to run scaling experiments on abilities necessary for situational awareness. As such an ability, we propose `out-of-context reasoning' (in contrast to in-context learning). We study out-of-context reasoning experimentally. First, we finetune an LLM on a description of a test while providing no examples or demonstrations. At test time, we assess whether the model can pass the test. To our surprise, we find that LLMs succeed on this out-of-context reasoning task. Their success is sensitive to the training setup and only works when we apply data augmentation. For both GPT-3 and LLaMA-1, performance improves with model size. These findings offer a foundation for further empirical study, towards predicting and potentially controlling the emergence of situational awareness in LLMs. Code is available at: https://github.com/AsaCooperStickland/situational-awareness-evals.
Jointly Exploring Client Drift and Catastrophic Forgetting in Dynamic Learning
Venue: arXiv cs.LG 2023
Year: 2023

Federated and Continual Learning have emerged as potential paradigms for the robust and privacy-aware use of Deep Learning in dynamic environments. However, Client Drift and Catastrophic Forgetting are fundamental obstacles to guaranteeing consistent performance. Existing work only addresses these problems separately, which neglects the fact that the root cause behind both forms of performance deterioration is connected. We propose a unified analysis framework for building a controlled test environment for Client Drift -- by perturbing a defined ratio of clients -- and Catastrophic Forgetting -- by shifting all clients with a particular strength. Our framework further leverages this new combined analysis by generating a 3D landscape of the combined performance impact from both. We demonstrate that the performance drop through Client Drift, caused by a certain share of shifted clients, is correlated to the drop from Catastrophic Forgetting resulting from a corresponding shift strength. Correlation tests between both problems for Computer Vision (CelebA) and Medical Imaging (PESO) support this new perspective, with an average Pearson rank correlation coefficient of over 0.94. Our framework's novel ability of combined spatio-temporal shift analysis allows us to investigate how both forms of distribution shift behave in mixed scenarios, opening a new pathway for better generalization. We show that a combination of moderate Client Drift and Catastrophic Forgetting can even improve the performance of the resulting model (causing a "Generalization Bump") compared to when only one of the shifts occurs individually. We apply a simple and commonly used method from Continual Learning in the federated setting and observe this phenomenon to be reoccurring, leveraging the ability of our framework to analyze existing and novel methods for Federated and Continual Learning.
Monitoring and Maintenance of Telecommunication Systems: Challenges and Research Perspectives
Venue: arXiv cs.SE 2023
Year: 2023

In this paper, we present challenges associated with monitoring and maintaining a large telecom system at Ericsson that was developed with high degree of component reuse. The system constitutes of multiple services, composed of both legacy and modern systems that are constantly changing and need to be adapted to changing business needs. The paper is based on firsthand experience from architecting, developing and maintaining such a system, pointing out current challenges and potential avenues for future research that might contribute to addressing them.
SoK: Safer Digital-Safety Research Involving At-Risk Users
Venue: arXiv cs.CY 2023
Year: 2023

Research involving at-risk users -- that is, users who are more likely to experience a digital attack or to be disproportionately affected when harm from such an attack occurs -- can pose significant safety challenges to both users and researchers. Nevertheless, pursuing research in computer security and privacy is crucial to understanding how to meet the digital-safety needs of at-risk users and to design safer technology for all. To standardize and bolster safer research involving such users, we offer an analysis of 196 academic works to elicit 14 research risks and 36 safety practices used by a growing community of researchers. We pair this inconsistent set of reported safety practices with oral histories from 12 domain experts to contribute scaffolded and consolidated pragmatic guidance that researchers can use to plan, execute, and share safer digital-safety research involving at-risk users. We conclude by suggesting areas for future research regarding the reporting, study, and funding of at-risk user research
PathLDM: Text conditioned Latent Diffusion Model for Histopathology
Venue: arXiv cs.CV 2023
Year: 2023

To achieve high-quality results, diffusion models must be trained on large datasets. This can be notably prohibitive for models in specialized domains, such as computational pathology. Conditioning on labeled data is known to help in data-efficient model training. Therefore, histopathology reports, which are rich in valuable clinical information, are an ideal choice as guidance for a histopathology generative model. In this paper, we introduce PathLDM, the first text-conditioned Latent Diffusion Model tailored for generating high-quality histopathology images. Leveraging the rich contextual information provided by pathology text reports, our approach fuses image and textual data to enhance the generation process. By utilizing GPT's capabilities to distill and summarize complex text reports, we establish an effective conditioning mechanism. Through strategic conditioning and necessary architectural enhancements, we achieved a SoTA FID score of 7.64 for text-to-image generation on the TCGA-BRCA dataset, significantly outperforming the closest text-conditioned competitor with FID 30.1.
Let the Models Respond: Interpreting Language Model Detoxification Through the Lens of Prompt Dependence
Venue: arXiv cs.CL 2023
Year: 2023

Due to language models' propensity to generate toxic or hateful responses, several techniques were developed to align model generations with users' preferences. Despite the effectiveness of such methods in improving the safety of model interactions, their impact on models' internal processes is still poorly understood. In this work, we apply popular detoxification approaches to several language models and quantify their impact on the resulting models' prompt dependence using feature attribution methods. We evaluate the effectiveness of counter-narrative fine-tuning and compare it with reinforcement learning-driven detoxification, observing differences in prompt reliance between the two methods despite their similar detoxification performances.
Diffusion Modeling with Domain-conditioned Prior Guidance for Accelerated MRI and qMRI Reconstruction
Venue: arXiv cs.LG 2023
Year: 2023

This study introduces a novel approach for image reconstruction based on a diffusion model conditioned on the native data domain. Our method is applied to multi-coil MRI and quantitative MRI reconstruction, leveraging the domain-conditioned diffusion model within the frequency and parameter domains. The prior MRI physics are used as embeddings in the diffusion model, enforcing data consistency to guide the training and sampling process, characterizing MRI k-space encoding in MRI reconstruction, and leveraging MR signal modeling for qMRI reconstruction. Furthermore, a gradient descent optimization is incorporated into the diffusion steps, enhancing feature learning and improving denoising. The proposed method demonstrates a significant promise, particularly for reconstructing images at high acceleration factors. Notably, it maintains great reconstruction accuracy and efficiency for static and quantitative MRI reconstruction across diverse anatomical structures. Beyond its immediate applications, this method provides potential generalization capability, making it adaptable to inverse problems across various domains.