Locomotion gaits are fundamental for control of soft terrestrial robots. However, synthesis of these gaits is challenging due to modeling of robot-environment interaction and lack of a mathematical framework. This work presents an environment-centric, data-driven and fault-tolerant probabilistic Model-Free Control (pMFC) framework that allows for soft multi-limb robots to learn from their environment and synthesize diverse sets of locomotion gaits for realizing open-loop control. Here, discretization of factors dominating robot-environment interactions enables an environment-specific graphical representation where the edges encode experimental locomotion data corresponding to the robot motion primitives. In this graph, locomotion gaits are defined as simple cycles that are transformation invariant, i.e., the locomotion is independent of the starting vertex of these periodic cycles. Gait synthesis, the problem of finding optimal locomotion gaits for a given substrate, is formulated as Binary Integer Linear Programming (BILP) problems with a linearized cost function, linear constraints, and iterative simple cycle detection. Experimentally, gaits are synthesized for varying robot-environment interactions. Variables include robot morphology - three-limb and four-limb robots, TerreSoRo-III and TerreSoRo-IV; substrate - rubber mat, whiteboard and carpet; and actuator functionality - simulated loss of robot limb actuation. On an average, gait synthesis improves the translation and rotation speeds by 82% and 97% respectively. The results highlight that data-driven methods are vital to soft robot locomotion control due to the significant influence of unexpected asymmetries in the system and the dependence of optimal gait sequences on the experimental robot-environment interaction.

Answer Set Programming (ASP) is a generic problem modeling and solving framework with a strong focus on knowledge representation and a rapid growth of industrial applications. So far, the study of complexity resulted in characterizing hardness and determining their sources, fine-grained insights in the form of dichotomy-style results, as well as detailed parameterized complexity landscapes. Unfortunately, for the well-known parameter treewidth disjunctive programs require double-exponential runtime under reasonable complexity assumptions. This quickly becomes out of reach. We deal with the classification of structural parameters for disjunctive ASP on the program's rule structure (incidence graph). First, we provide a polynomial kernel to obtain single-exponential runtime in terms of vertex cover size, despite subset-minimization being not represented in the program's structure. Then we turn our attention to strictly better structural parameters between vertex cover size and treewidth. Here, we provide double-exponential lower bounds for the most prominent parameters in that range: treedepth, feedback vertex size, and cliquewidth. Based on this, we argue that unfortunately our options beyond vertex cover size are limited. Our results provide an in-depth hardness study, relying on a novel reduction from normal to disjunctive programs, trading the increase of complexity for an exponential parameter compression.

Research in machine learning is making progress in fixing its own reproducibility crisis. Reinforcement learning (RL), in particular, faces its own set of unique challenges. Comparison of point estimates, and plots that show successful convergence to the optimal policy during training, may obfuscate overfitting or dependence on the experimental setup. Although researchers in RL have proposed reliability metrics that account for uncertainty to better understand each algorithm's strengths and weaknesses, the recommendations of past work do not assume the presence of out-of-distribution observations. We propose a set of evaluation methods that measure the robustness of RL algorithms under distribution shifts. The tools presented here argue for the need to account for performance over time while the agent is acting in its environment. In particular, we recommend time series analysis as a method of observational RL evaluation. We also show that the unique properties of RL and simulated dynamic environments allow us to make stronger assumptions to justify the measurement of causal impact in our evaluations. We then apply these tools to single-agent and multi-agent environments to show the impact of introducing distribution shifts during test time. We present this methodology as a first step toward rigorous RL evaluation in the presence of distribution shifts.

We investigate the problem of probably approximately correct and fair (PACF) ranking of items by adaptively evoking pairwise comparisons. Given a set of $n$ items that belong to disjoint groups, our goal is to find an $(\epsilon, \delta)$-PACF-Ranking according to a fair objective function that we propose. We assume access to an oracle, wherein, for each query, the learner can choose a pair of items and receive stochastic winner feedback from the oracle. Our proposed objective function asks to minimize the $\ell_q$ norm of the error of the groups, where the error of a group is the $\ell_p$ norm of the error of all the items within that group, for $p, q \geq 1$. This generalizes the objective function of $\epsilon$-Best-Ranking, proposed by Saha & Gopalan (2019). By adopting our objective function, we gain the flexibility to explore fundamental fairness concepts like equal or proportionate errors within a unified framework. Adjusting parameters $p$ and $q$ allows tailoring to specific fairness preferences. We present both group-blind and group-aware algorithms and analyze their sample complexity. We provide matching lower bounds up to certain logarithmic factors for group-blind algorithms. For a restricted class of group-aware algorithms, we show that we can get reasonable lower bounds. We conduct comprehensive experiments on both real-world and synthetic datasets to complement our theoretical findings.

Recent advances in diffusion models attempt to handle conditional generative tasks by utilizing a differentiable loss function for guidance without the need for additional training. While these methods achieved certain success, they often compromise on sample quality and require small guidance step sizes, leading to longer sampling processes. This paper reveals that the fundamental issue lies in the manifold deviation during the sampling process when loss guidance is employed. We theoretically show the existence of manifold deviation by establishing a certain lower bound for the estimation error of the loss guidance. To mitigate this problem, we propose Diffusion with Spherical Gaussian constraint (DSG), drawing inspiration from the concentration phenomenon in high-dimensional Gaussian distributions. DSG effectively constrains the guidance step within the intermediate data manifold through optimization and enables the use of larger guidance steps. Furthermore, we present a closed-form solution for DSG denoising with the Spherical Gaussian constraint. Notably, DSG can seamlessly integrate as a plugin module within existing training-free conditional diffusion methods. Implementing DSG merely involves a few lines of additional code with almost no extra computational overhead, yet it leads to significant performance improvements. Comprehensive experimental results in various conditional generation tasks validate the superiority and adaptability of DSG in terms of both sample quality and time efficiency.

Purpose: Large Language Models (LLMs) like ChatGPT and LLaMA are increasingly recognized for their potential in the field of cheminformatics, particularly in interpreting Simplified Molecular Input Line Entry System (SMILES), a standard method for representing chemical structures. These LLMs can decode SMILES strings into vector representations, providing a novel approach to understanding chemical graphs. Methods: We investigate the performance of ChatGPT and LLaMA in embedding SMILES strings. Our evaluation focuses on two key applications: molecular property (MP) prediction and drug-drug interaction (DDI) prediction, both essential in drug development and healthcare. Results: We find that SMILES embeddings generated using LLaMA outperform those from ChatGPT in both MP and DDI prediction tasks. Notably, LLaMA-based SMILES embeddings show results comparable to existing methods in both prediction tasks. Conclusion: The application of LLMs in cheminformatics, particularly in utilizing SMILES embeddings, shows significant promise for advancing drug development. This includes improving the prediction of chemical properties and facilitating the drug discovery process. GitHub: https://github.com/sshaghayeghs/LLaMA-VS-ChatGPT

A novel approach to approximate solutions of Stochastic Differential Equations (SDEs) by Deep Neural Networks is derived and analysed. The architecture is inspired by the notion of Deep Operator Networks (DeepONets), which is based on operator learning in function spaces in terms of a reduced basis also represented in the network. In our setting, we make use of a polynomial chaos expansion (PCE) of stochastic processes and call the corresponding architecture SDEONet. The PCE has been used extensively in the area of uncertainty quantification (UQ) with parametric partial differential equations. This however is not the case with SDE, where classical sampling methods dominate and functional approaches are seen rarely. A main challenge with truncated PCEs occurs due to the drastic growth of the number of components with respect to the maximum polynomial degree and the number of basis elements. The proposed SDEONet architecture aims to alleviate the issue of exponential complexity by learning an optimal sparse truncation of the Wiener chaos expansion. A complete convergence and complexity analysis is presented, making use of recent Neural Network approximation results. Numerical experiments illustrate the promising performance of the suggested approach in 1D and higher dimensions.

Orthogonal recurrent neural networks (ORNNs) are an appealing option for learning tasks involving time series with long-term dependencies, thanks to their simplicity and computational stability. However, these networks often require a substantial number of parameters to perform well, which can be prohibitive in power-constrained environments, such as compact devices. One approach to address this issue is neural network quantization. The construction of such networks remains an open problem, acknowledged for its inherent instability.In this paper, we explore the quantization of the recurrent and input weight matrices in ORNNs, leading to Quantized approximately Orthogonal RNNs (QORNNs). We investigate one post-training quantization (PTQ) strategy and three quantization-aware training (QAT) algorithms that incorporate orthogonal constraints and quantized weights. Empirical results demonstrate the advantages of employing QAT over PTQ. The most efficient model achieves results similar to state-of-the-art full-precision ORNN and LSTM on a variety of standard benchmarks, even with 3-bits quantization.

Emotion classification is a challenging task in NLP due to the inherent idiosyncratic and subjective nature of linguistic expression, especially with code-mixed data. Pre-trained language models (PLMs) have achieved high performance for many tasks and languages, but it remains to be seen whether these models learn and are robust to the differences in emotional expression across languages. Sociolinguistic studies have shown that Hinglish speakers switch to Hindi when expressing negative emotions and to English when expressing positive emotions. To understand if language models can learn these associations, we study the effect of language on emotion prediction across 3 PLMs on a Hinglish emotion classification dataset. Using LIME and token level language ID, we find that models do learn these associations between language choice and emotional expression. Moreover, having code-mixed data present in the pre-training can augment that learning when task-specific data is scarce. We also conclude from the misclassifications that the models may overgeneralise this heuristic to other infrequent examples where this sociolinguistic phenomenon does not apply.

Unveiling the reasons behind the exceptional success of transformers requires a better understanding of why attention layers are suitable for NLP tasks. In particular, such tasks require predictive models to capture contextual meaning which often depends on one or few words, even if the sentence is long. Our work studies this key property, dubbed word sensitivity (WS), in the prototypical setting of random features. We show that attention layers enjoy high WS, namely, there exists a vector in the space of embeddings that largely perturbs the random attention features map. The argument critically exploits the role of the softmax in the attention layer, highlighting its benefit compared to other activations (e.g., ReLU). In contrast, the WS of standard random features is of order $1/\sqrt{n}$, $n$ being the number of words in the textual sample, and thus it decays with the length of the context. We then translate these results on the word sensitivity into generalization bounds: due to their low WS, random features provably cannot learn to distinguish between two sentences that differ only in a single word; in contrast, due to their high WS, random attention features have higher generalization capabilities. We validate our theoretical results with experimental evidence over the BERT-Base word embeddings of the imdb review dataset.