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 Learning Graphical Models


ED-Filter: Dynamic Feature Filtering for Eating Disorder Classification

arXiv.org Machine Learning

Eating disorders (ED) are critical psychiatric problems that have alarmed the mental health community. Mental health professionals are increasingly recognizing the utility of data derived from social media platforms such as Twitter. However, high dimensionality and extensive feature sets of Twitter data present remarkable challenges for ED classification. To overcome these hurdles, we introduce a novel method, an informed branch and bound search technique known as ED-Filter. This strategy significantly improves the drawbacks of conventional feature selection algorithms such as filters and wrappers. ED-Filter iteratively identifies an optimal set of promising features that maximize the eating disorder classification accuracy. In order to adapt to the dynamic nature of Twitter ED data, we enhance the ED-Filter with a hybrid greedy-based deep learning algorithm. This algorithm swiftly identifies sub-optimal features to accommodate the ever-evolving data landscape. Experimental results on Twitter eating disorder data affirm the effectiveness and efficiency of ED-Filter. The method demonstrates significant improvements in classification accuracy and proves its value in eating disorder detection on social media platforms.


Digital Twin Calibration with Model-Based Reinforcement Learning

arXiv.org Artificial Intelligence

This study is motivated by optimal control applications that exhibit high complexity, high uncertainty, and very limited data [Wang et al., 2024, Zheng et al., 2023, Plotkin et al., 2017, Mirasol, 2017]. In particular, all of these challenges are present in the domain of biopharmaceutical manufacturing, used for production of essential life-saving treatments for severe and chronic diseases, including cancers, autoimmune disorders, metabolic diseases, genetic disorders, and infectious diseases such as COVID-19 [Zahavi and Weiner, 2020, Teo, 2022]. Using cells as factories, biomanufacturing involves hundreds of biological, physical, and chemical factors dynamically interacting with each other at molecular, cellular, and macroscopic levels and impacting production outcomes. Due to the complexity of these mechanisms, it is quite difficult to control production safely and effectively, especially in the presence of very limited data. Digital twins have proven very useful in guiding the control of complex physical systems [Tao et al., 2018].


Reweighting Improves Conditional Risk Bounds

arXiv.org Machine Learning

In this work, we study the weighted empirical risk minimization (weighted ERM) schema, in which an additional data-dependent weight function is incorporated when the empirical risk function is being minimized. We show that under a general ``balanceable" Bernstein condition, one can design a weighted ERM estimator to achieve superior performance in certain sub-regions over the one obtained from standard ERM, and the superiority manifests itself through a data-dependent constant term in the error bound. These sub-regions correspond to large-margin ones in classification settings and low-variance ones in heteroscedastic regression settings, respectively. Our findings are supported by evidence from synthetic data experiments.


TACTIC: Task-Agnostic Contrastive pre-Training for Inter-Agent Communication

arXiv.org Artificial Intelligence

The "sight range dilemma" in cooperative Multi-Agent Reinforcement Learning (MARL) presents a significant challenge: limited observability hinders team coordination, while extensive sight ranges lead to distracted attention and reduced performance. While communication can potentially address this issue, existing methods often struggle to generalize across different sight ranges, limiting their effectiveness. We propose TACTIC, Task-Agnostic Contrastive pre-Training strategy Inter-Agent Communication. TACTIC is an adaptive communication mechanism that enhances agent coordination even when the sight range during execution is vastly different from that during training. The communication mechanism encodes messages and integrates them with local observations, generating representations grounded in the global state using contrastive learning. By learning to generate and interpret messages that capture important information about the whole environment, TACTIC enables agents to effectively "see" more through communication, regardless of their sight ranges. We comprehensively evaluate TACTIC on the SMACv2 benchmark across various scenarios with broad sight ranges. The results demonstrate that TACTIC consistently outperforms traditional state-of-the-art MARL techniques with and without communication, in terms of generalizing to sight ranges different from those seen in training, particularly in cases of extremely limited or extensive observability.


A Survey on Large Language Models with some Insights on their Capabilities and Limitations

arXiv.org Artificial Intelligence

The rapid advancement of artificial intelligence, particularly with the development of Large Language Models (LLMs) built on the transformer architecture, has redefined the capabilities of natural language processing. These models now exhibit remarkable performance across various language-related tasks, such as text generation, question answering, translation, and summarization, often rivaling human-like comprehension. More intriguingly, LLMs have demonstrated emergent abilities extending beyond their core functions, showing proficiency in tasks like commonsense reasoning, code generation, and arithmetic. This survey paper explores the foundational components, scaling mechanisms, and architectural strategies that drive these capabilities. Emphasizing models like GPT and LLaMA, we analyze the impact of exponential data and computational growth on LLM performance, while also addressing the trade-offs associated with scaling. We also examine LLM applications across sectors, such as healthcare, finance, education, and law, highlighting their adaptability and potential to solve domain-specific challenges. Central to this work are the questions of how LLMs generalize across diverse tasks, exhibit planning, and reasoning abilities, and whether these emergent abilities can be systematically elicited or enhanced. In particular, we provide some insights into the CoT (Chain of Thought) and PoT (Plan of Thought) abilities within LLMs, focusing on how pre-training data influences their emergence. Additionally, we investigate LLM-modulo frameworks that integrate external systems, allowing LLMs to handle complex, dynamic tasks. By analyzing these factors, this paper aims to foster the ongoing discussion on the capabilities and limits of LLMs, promoting their responsible development and application in novel and increasingly complex environments.


SMDP-Based Dynamic Batching for Improving Responsiveness and Energy Efficiency of Batch Services

arXiv.org Artificial Intelligence

For servers incorporating parallel computing resources, batching is a pivotal technique for providing efficient and economical services at scale. Parallel computing resources exhibit heightened computational and energy efficiency when operating with larger batch sizes. However, in the realm of online services, the adoption of a larger batch size may lead to longer response times. This paper aims to provide a dynamic batching scheme that delicately balances latency and efficiency. The system is modeled as a batch service queue with size-dependent service times. Then, the design of dynamic batching is formulated as a semi-Markov decision process (SMDP) problem, with the objective of minimizing the weighted sum of average response time and average power consumption. A method is proposed to derive an approximate optimal SMDP solution, representing the chosen dynamic batching policy. By introducing an abstract cost to reflect the impact of "tail" states, the space complexity and the time complexity of the procedure can decrease by 63.5% and 98%, respectively. Numerical results showcase the superiority of SMDP-based batching policies across various parameter setups. Additionally, the proposed scheme exhibits noteworthy flexibility in balancing power consumption and latency.


Practical machine learning is learning on small samples

arXiv.org Artificial Intelligence

Based on limited observations, machine learning discerns a dependence which is expected to hold in the future. What makes it possible? Statistical learning theory imagines indefinitely increasing training sample to justify its approach. In reality, there is no infinite time or even infinite general population for learning. Here I argue that practical machine learning is based on an implicit assumption that underlying dependence is relatively ``smooth" : likely, there are no abrupt differences in feedback between cases with close data points. From this point of view learning shall involve selection of the hypothesis ``smoothly" approximating the training set. I formalize this as Practical learning paradigm. The paradigm includes terminology and rules for description of learners. Popular learners (local smoothing, k-NN, decision trees, Naive Bayes, SVM for classification and for regression) are shown here to be implementations of this paradigm.


Segmenting Action-Value Functions Over Time-Scales in SARSA via TD($\Delta$)

arXiv.org Artificial Intelligence

In numerous episodic reinforcement learning (RL) settings, SARSA-based methodologies are employed to enhance policies aimed at maximizing returns over long horizons. Conventional SARSA algorithms, however, have difficulties in balancing bias and variation due to the reliance on a singular, fixed discount factor. This study expands the temporal difference decomposition approach, TD($\Delta$), to the SARSA algorithm, which we designate as SARSA($\Delta$). SARSA, a widely utilised on-policy RL method, enhances action-value functions via temporal difference updates. TD($\Delta$) facilitates learning over several time-scales by breaking the action-value function into components associated with distinct discount factors. This decomposition improves learning efficiency and stability, particularly in problems necessitating long-horizon optimization. We illustrate that our methodology mitigates bias in SARSA's updates while facilitating accelerated convergence in both deterministic and stochastic environments. Experimental findings across many benchmark tasks indicate that the proposed SARSA($\Delta$) surpasses conventional TD learning methods in both tabular and deep RL environments.


Unified Native Spaces in Kernel Methods

arXiv.org Machine Learning

There exists a plethora of parametric models for positive definite kernels, and their use is ubiquitous in disciplines as diverse as statistics, machine learning, numerical analysis, and approximation theory. Usually, the kernel parameters index certain features of an associated process. Amongst those features, smoothness (in the sense of Sobolev spaces, mean square differentiability, and fractal dimensions), compact or global supports, and negative dependencies (hole effects) are of interest to several theoretical and applied disciplines. This paper unifies a wealth of well-known kernels into a single parametric class that encompasses them as special cases, attained either by exact parameterization or through parametric asymptotics. We furthermore characterize the Sobolev space that is norm equivalent to the RKHS associated with the new kernel. As a by-product, we infer the Sobolev spaces that are associated with existing classes of kernels. We illustrate the main properties of the new class, show how this class can switch from compact to global supports, and provide special cases for which the kernel attains negative values over nontrivial intervals. Hence, the proposed class of kernel is the reproducing kernel of a very rich Hilbert space that contains many special cases, including the celebrated Mat\'ern and Wendland kernels, as well as their aliases with hole effects.


Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry

arXiv.org Artificial Intelligence

Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hybrid locations, resulting in 34 team submissions. The submissions spanned seven key application areas and demonstrated the diverse utility of LLMs for applications in (1) molecular and material property prediction; (2) molecular and material design; (3) automation and novel interfaces; (4) scientific communication and education; (5) research data management and automation; (6) hypothesis generation and evaluation; and (7) knowledge extraction and reasoning from scientific literature. Each team submission is presented in a summary table with links to the code and as brief papers in the appendix. Beyond team results, we discuss the hackathon event and its hybrid format, which included physical hubs in Toronto, Montreal, San Francisco, Berlin, Lausanne, and Tokyo, alongside a global online hub to enable local and virtual collaboration. Overall, the event highlighted significant improvements in LLM capabilities since the previous year's hackathon, suggesting continued expansion of LLMs for applications in materials science and chemistry research. These outcomes demonstrate the dual utility of LLMs as both multipurpose models for diverse machine learning tasks and platforms for rapid prototyping custom applications in scientific research.