An autonomous experimentation platform in manufacturing is supposedly capable of conducting a sequential search for finding suitable manufacturing conditions by itself or even for discovering new materials with minimal human intervention. The core of the intelligent control of such platforms is a policy to decide where to conduct the next experiment based on what has been done thus far. Such policy inevitably trades off between exploitation and exploration. Currently, the prevailing approach is to use various acquisition functions in the Bayesian optimization framework. We discuss whether it is beneficial to trade off exploitation versus exploration by measuring the element and degree of surprise associated with the immediate past observation. We devise a surprise-reacting policy using two existing surprise metrics, known as the Shannon surprise and Bayesian surprise. Our analysis shows that the surprise-reacting policy appears to be better suited for quickly characterizing the overall landscape of a response surface under resource constraints. We do not claim that we have a fully autonomous experimentation system but believe that the surprise-reacting capability benefits the automation of sequential decisions in autonomous experimentation.
The main challenge of multimodal optimization problems is identifying multiple peaks with high accuracy in multidimensional search spaces with irregular landscapes. This work proposes the Multiple Global Peaks Big Bang-Big Crunch (MGP-BBBC) algorithm, which addresses the challenge of multimodal optimization problems by introducing a specialized mechanism for each operator. The algorithm expands the Big Bang-Big Crunch algorithm, a state-of-the-art metaheuristic inspired by the universe's evolution. Specifically, MGP-BBBC groups the best individuals of the population into cluster-based centers of mass and then expands them with a progressively lower disturbance to guarantee convergence. During this process, it (i) applies a distance-based filtering to remove unnecessary elites such that the ones on smaller peaks are not lost, (ii) promotes isolated individuals based on their niche count after clustering, and (iii) balances exploration and exploitation during offspring generation to target specific accuracy levels. Experimental results on twenty multimodal benchmark test functions show that MGP-BBBC generally performs better or competitively with respect to other state-of-the-art multimodal optimizers.
Despite the strong performance of large language models (LLMs) in tasks like mathematical reasoning, their practical use is limited by high computational demands and proprietary restrictions. Chain-of-thought (CoT) and program-of-thought (PoT) fine-tuning are common methods to transfer LLM knowledge to small language models (SLMs). However, CoT often leads to calculation errors in SLMs, while PoT has shown more promise. While most PoT-based approaches focus on direct problem-to-code conversion or extracting only the key information from questions and then providing code solution for it, this work emphasizes filling the gaps in the question to clearly illustrate the solution path, which can be challenging for an SLM to understand when such information is not explicitly provided. Therefore, this paper introduces Gap-Filling Prompting (GFP), a novel two-step prompting strategy designed to enhance the problem-solving process for SLMs. The first step identifies these gaps and provides hints for filling them, while the second step adds the hints to the question to generate a final code solution. Experimental results on two benchmark datasets demonstrate that GFP significantly improves the mathematical reasoning abilities of SLMs.
Recent works have proposed to craft adversarial clothes for evading person detectors, while they are either only effective at limited viewing angles or very conspicuous to humans. We aim to craft adversarial texture for clothes based on 3D modeling, an idea that has been used to craft rigid adversarial objects such as a 3D-printed turtle. Unlike rigid objects, humans and clothes are non-rigid, leading to difficulties in physical realization. In order to craft natural-looking adversarial clothes that can evade person detectors at multiple viewing angles, we propose adversarial camouflage textures (AdvCaT) that resemble one kind of the typical textures of daily clothes, camouflage textures. We leverage the Voronoi diagram and Gumbel-softmax trick to parameterize the camouflage textures and optimize the parameters via 3D modeling. Moreover, we propose an efficient augmentation pipeline on 3D meshes combining topologically plausible projection (TopoProj) and Thin Plate Spline (TPS) to narrow the gap between digital and real-world objects. We printed the developed 3D texture pieces on fabric materials and tailored them into T-shirts and trousers. Experiments show high attack success rates of these clothes against multiple detectors.
Accurately modeling the correlation structure of errors is critical for reliable uncertainty quantification in probabilistic time series forecasting. While recent deep learning models for multivariate time series have developed efficient parameterizations for time-varying contemporaneous covariance, but they often assume temporal independence of errors for simplicity. However, real-world data often exhibit significant error autocorrelation and cross-lag correlation due to factors such as missing covariates. In this paper, we introduce a plug-and-play method that learns the covariance structure of errors over multiple steps for autoregressive models with Gaussian-distributed errors. To ensure scalable inference and computational efficiency, we model the contemporaneous covariance using a low-rank-plus-diagonal parameterization and capture cross-covariance through a group of independent latent temporal processes. The learned covariance matrix is then used to calibrate predictions based on observed residuals. We evaluate our method on probabilistic models built on RNNs and Transformer architectures, and the results confirm the effectiveness of our approach in improving predictive accuracy and uncertainty quantification without significantly increasing the parameter size.
Training machine learning and statistical models often involves optimizing a data-driven risk criterion. The risk is usually computed with respect to the empirical data distribution, but this may result in poor and unstable out-of-sample performance due to distributional uncertainty. In the spirit of distributionally robust optimization, we propose a novel robust criterion by combining insights from Bayesian nonparametric (i.e., Dirichlet process) theory and a recent decision-theoretic model of smooth ambiguity-averse preferences. First, we highlight novel connections with standard regularized empirical risk minimization techniques, among which Ridge and LASSO regressions. Then, we theoretically demonstrate the existence of favorable finite-sample and asymptotic statistical guarantees on the performance of the robust optimization procedure. For practical implementation, we propose and study tractable approximations of the criterion based on well-known Dirichlet process representations. We also show that the smoothness of the criterion naturally leads to standard gradient-based numerical optimization. Finally, we provide insights into the workings of our method by applying it to a variety of tasks based on simulated and real datasets.
Learned sparse retrieval, which can efficiently perform retrieval through mature inverted-index engines, has garnered growing attention in recent years. Particularly, the inference-free sparse retrievers are attractive as they eliminate online model inference in the retrieval phase thereby avoids huge computational cost, offering reasonable throughput and latency. However, even the state-of-the-art (SOTA) inference-free sparse models lag far behind in terms of search relevance when compared to both sparse and dense siamese models. Towards competitive search relevance for inference-free sparse retrievers, we argue that they deserve dedicated training methods other than using same ones with siamese encoders. In this paper, we propose two different approaches for performance improvement. First, we introduce the IDF-aware FLOPS loss, which introduces Inverted Document Frequency (IDF) to the sparsification of representations. We find that it mitigates the negative impact of the FLOPS regularization on search relevance, allowing the model to achieve a better balance between accuracy and efficiency. Moreover, we propose a heterogeneous ensemble knowledge distillation framework that combines siamese dense and sparse retrievers to generate supervisory signals during the pre-training phase. The ensemble framework of dense and sparse retriever capitalizes on their strengths respectively, providing a strong upper bound for knowledge distillation. To concur the diverse feedback from heterogeneous supervisors, we normalize and then aggregate the outputs of the teacher models to eliminate score scale differences. On the BEIR benchmark, our model outperforms existing SOTA inference-free sparse model by \textbf{3.3 NDCG@10 score}. It exhibits search relevance comparable to siamese sparse retrievers and client-side latency only \textbf{1.1x that of BM25}.
A key goal in mechanistic interpretability is circuit analysis: finding sparse subgraphs of models corresponding to specific behaviors or capabilities. However, MLP sublayers make fine-grained circuit analysis on transformer-based language models difficult. In particular, interpretable features -- such as those found by sparse autoencoders (SAEs) -- are typically linear combinations of extremely many neurons, each with its own nonlinearity to account for. Circuit analysis in this setting thus either yields intractably large circuits or fails to disentangle local and global behavior. To address this we explore transcoders, which seek to faithfully approximate a densely activating MLP layer with a wider, sparsely-activating MLP layer. We introduce a novel method for using transcoders to perform weights-based circuit analysis through MLP sublayers. The resulting circuits neatly factorize into input-dependent and input-invariant terms. We then successfully train transcoders on language models with 120M, 410M, and 1.4B parameters, and find them to perform at least on par with SAEs in terms of sparsity, faithfulness, and human-interpretability. Finally, we apply transcoders to reverse-engineer unknown circuits in the model, and we obtain novel insights regarding the "greater-than circuit" in GPT2-small. Our results suggest that transcoders can prove effective in decomposing model computations involving MLPs into interpretable circuits. Code is available at //github.com/jacobdunefsky/transcoder_circuits/.
The key challenge of image manipulation detection is how to learn generalizable features that are sensitive to manipulations in novel data, whilst specific to prevent false alarms on authentic images. Current research emphasizes the sensitivity, with the specificity overlooked. In this paper we address both aspects by multi-view feature learning and multi-scale supervision. By exploiting noise distribution and boundary artifact surrounding tampered regions, the former aims to learn semantic-agnostic and thus more generalizable features. The latter allows us to learn from authentic images which are nontrivial to be taken into account by current semantic segmentation network based methods. Our thoughts are realized by a new network which we term MVSS-Net. Extensive experiments on five benchmark sets justify the viability of MVSS-Net for both pixel-level and image-level manipulation detection.
Knowledge graph embedding, which aims to represent entities and relations as low dimensional vectors (or matrices, tensors, etc.), has been shown to be a powerful technique for predicting missing links in knowledge graphs. Existing knowledge graph embedding models mainly focus on modeling relation patterns such as symmetry/antisymmetry, inversion, and composition. However, many existing approaches fail to model semantic hierarchies, which are common in real-world applications. To address this challenge, we propose a novel knowledge graph embedding model---namely, Hierarchy-Aware Knowledge Graph Embedding (HAKE)---which maps entities into the polar coordinate system. HAKE is inspired by the fact that concentric circles in the polar coordinate system can naturally reflect the hierarchy. Specifically, the radial coordinate aims to model entities at different levels of the hierarchy, and entities with smaller radii are expected to be at higher levels; the angular coordinate aims to distinguish entities at the same level of the hierarchy, and these entities are expected to have roughly the same radii but different angles. Experiments demonstrate that HAKE can effectively model the semantic hierarchies in knowledge graphs, and significantly outperforms existing state-of-the-art methods on benchmark datasets for the link prediction task.
Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis.