This system report presents our approaches and results for the Chinese Essay Fluency Evaluation (CEFE) task at CCL-2024. For Track 1, we optimized predictions for challenging fine-grained error types using binary classification models and trained coarse-grained models on the Chinese Learner 4W corpus. In Track 2, we enhanced performance by constructing a pseudo-dataset with multiple error types per sentence. For Track 3, where we achieved first place, we generated fluency-rated pseudo-data via back-translation for pre-training and used an NSP-based strategy with Symmetric Cross Entropy loss to capture context and mitigate long dependencies. Our methods effectively address key challenges in Chinese Essay Fluency Evaluation.

Human feedback plays a critical role in learning and refining reward models for text-to-image generation, but the optimal form the feedback should take for learning an accurate reward function has not been conclusively established. This paper investigates the effectiveness of fine-grained feedback which captures nuanced distinctions in image quality and prompt-alignment, compared to traditional coarse-grained feedback (for example, thumbs up/down or ranking between a set of options). While fine-grained feedback holds promise, particularly for systems catering to diverse societal preferences, we show that demonstrating its superiority to coarse-grained feedback is not automatic. Through experiments on real and synthetic preference data, we surface the complexities of building effective models due to the interplay of model choice, feedback type, and the alignment between human judgment and computational interpretation. We identify key challenges in eliciting and utilizing fine-grained feedback, prompting a reassessment of its assumed benefits and practicality. Our findings -- e.g., that fine-grained feedback can lead to worse models for a fixed budget, in some settings; however, in controlled settings with known attributes, fine grained rewards can indeed be more helpful -- call for careful consideration of feedback attributes and potentially beckon novel modeling approaches to appropriately unlock the potential value of fine-grained feedback in-the-wild.

The dynamical behavior of social systems can be described by agent-based models. Although single agents follow easily explainable rules, complex time-evolving patterns emerge due to their interaction. The simulation and analysis of such agent-based models, however, is often prohibitively time-consuming if the number of agents is large. In this paper, we show how Koopman operator theory can be used to derive reduced models of agent-based systems using only simulation or real-world data. Our goal is to learn coarse-grained models and to represent the reduced dynamics by ordinary or stochastic differential equations. The new variables are, for instance, aggregated state variables of the agent-based model, modeling the collective behavior of larger groups or the entire population. Using benchmark problems with known coarse-grained models, we demonstrate that the obtained reduced systems are in good agreement with the analytical results, provided that the numbers of agents is sufficiently large.

The workshop is currently planned to take place as a virtual event! Options to also host this as a partial on-site event are being explored, but will only take place in case the situation permits it. Coarse-grained (CG) models aim at a reduced description of a molecular system, offering not only practical benefits, such as significant computational advantages, but also the means to effectively test what subset of degrees of freedom and interactions are sufficient to describe physical processes of interest [1, 2]. While the last few decades have yielded significant advances in the development of coarse-grained models--from foundational considerations to practical force-field parametrization algorithms and methods--a number of strong assumptions the community makes has plagued its further development. For instance, the persistent description of nonbonded interactions in terms of pairwise functions alone puts a severe bound on the quality of these models, ultimately sacrificing accuracy and transferability.

Frank Noé Department of Mathematics and Computer Science, Freie Universität Berlin, Arnimallee 6, 14195 Berlin, Germany Gianni De Fabritiis Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), Doctor Aiguader 88, 08003 Barcelona, Spain, and Institucio Catalana de Recerca i Estudis Avanats (ICREA), Passeig Lluis Companys 23, Barcelona 08010, Spain Cecilia Clementi Center for Theoretical Biological Physics, and Department of Chemistry, Rice University, 6100 Main Street, Houston, Texas 77005, United StatesAbstract Many aspects of the study of protein folding and dynamics have been affected by the recent advances in machine learning. Methods for the prediction of protein structures from their sequences are now heavily based on machine learning tools. The way simulations are performed to explore the energy landscape of protein systems is also changing as force-fields are started to be designed by means of machine learning methods. These methods are also used to extract the essential information from large simulation datasets and to enhance the sampling of rare events such as folding/unfolding transitions. While significant challenges still need to be tackled, we expect these methods to play an important role on the study of protein folding and dynamics in the near future. We discuss here the recent advances on all these fronts and the questions that need to be addressed for machine learning approaches to become mainstream in protein simulation.Introduction During the last couple of decades advances in artificial intelligence and machine learning have revolutionized many application areas such as image recognition and language translation. The key of this success has been the design of algorithms that can extract complex patterns and highly nontrivial relationships from large amount of data and abstract this information in the evaluation of new data.

Decision-tree-based ensemble classification methods (DTEMs) are a prevalent tool for supervised anomaly detection. However, due to the continued growth of datasets, DTEMs result in increasing drawbacks such as growing memory footprints, longer training times, and slower classification latencies at lower throughput. In this paper, we present, design, and evaluate RADE - a DTEM-based anomaly detection framework that augments standard DTEM classifiers and alleviates these drawbacks by relying on two observations: (1) we find that a small (coarse-grained) DTEM model is sufficient to classify the majority of the classification queries correctly, such that a classification is valid only if its corresponding confidence level is greater than or equal to a predetermined classification confidence threshold; (2) we find that in these fewer harder cases where our coarse-grained DTEM model results in insufficient confidence in its classification, we can improve it by forwarding the classification query to one of expert DTEM (fine-grained) models, which is explicitly trained for that particular case. We implement RADE in Python based on scikit-learn and evaluate it over different DTEM methods: RF, XGBoost, AdaBoost, GBDT and LightGBM, and over three publicly available datasets. Our evaluation over both a strong AWS EC2 instance and a Raspberry Pi 3 device indicates that RADE offers competitive and often superior anomaly detection capabilities as compared to standard DTEM methods, while significantly improving memory footprint (by up to 5.46x), training-time (by up to 17.2x), and classification latency (by up to 31.2x).

The automated construction of coarse-grained models represents a pivotal component in computer simulation of physical systems and is a key enabler in various analysis and design tasks related to uncertainty quantification. Pertinent methods are severely inhibited by the high-dimension of the parametric input and the limited number of training input/output pairs that can be generated when computationally demanding forward models are considered. Such cases are frequently encountered in the modeling of random heterogeneous media where the scale of the microstructure necessitates the use of high-dimensional random vectors and very fine discretizations of the governing equations. The present paper proposes a probabilistic Machine Learning framework that is capable of operating in the presence of Small Data by exploiting aspects of the physical structure of the problem as well as contextual knowledge. As a result, it can perform comparably well under extrapolative conditions. It unifies the tasks of dimensionality and model-order reduction through an encoder-decoder scheme that simultaneously identifies a sparse set of salient lower-dimensional microstructural features and calibrates an inexpensive, coarse-grained model which is predictive of the output. Information loss is accounted for and quantified in the form of probabilistic predictive estimates. The learning engine is based on Stochastic Variational Inference. We demonstrate how the variational objectives can be used not only to train the coarse-grained model, but also to suggest refinements that lead to improved predictions.

While existing mathematical descriptions can accurately account for phenomena at microscopic scales (e.g. molecular dynamics), these are often high-dimensional, stochastic and their applicability over macroscopic time scales of physical interest is computationally infeasible or impractical. In complex systems, with limited physical insight on the coherent behavior of their constituents, the only available information is data obtained from simulations of the trajectories of huge numbers of degrees of freedom over microscopic time scales. This paper discusses a Bayesian approach to deriving probabilistic coarse-grained models that simultaneously address the problems of identifying appropriate reduced coordinates and the effective dynamics in this lower-dimensional representation. At the core of the models proposed lie simple, low-dimensional dynamical systems which serve as the building blocks of the global model. These approximate the latent, generating sources and parameterize the reduced-order dynamics. We discuss parallelizable, online inference and learning algorithms that employ Sequential Monte Carlo samplers and scale linearly with the dimensionality of the observed dynamics. We propose a Bayesian adaptive time-integration scheme that utilizes probabilistic predictive estimates and enables rigorous concurrent s imulation over macroscopic time scales. The data-driven perspective advocated assimilates computational and experimental data and thus can materialize data-model fusion. It can deal with applications that lack a mathematical description and where only observational data is available. Furthermore, it makes non-intrusive use of existing computational models.