Program synthesis has traditionally relied on human-provided specifications, examples, or prior knowledge to generate functional algorithms. Existing methods either emulate human-written algorithms or solve specific tasks without generating reusable programmatic logic, limiting their ability to create novel algorithms. We introduce AlgoPilot, a groundbreaking approach for fully automated program synthesis without human-written programs or trajectories. AlgoPilot leverages reinforcement learning (RL) guided by a Trajectory Language Model (TLM) to synthesize algorithms from scratch. The TLM, trained on trajectories generated by random Python functions, serves as a soft constraint during the RL process, aligning generated sequences with patterns likely to represent valid algorithms. Using sorting as a test case, AlgoPilot demonstrates its ability to generate trajectories that are interpretable as classical algorithms, such as Bubble Sort, while operating without prior algorithmic knowledge. This work establishes a new paradigm for algorithm discovery and lays the groundwork for future advancements in autonomous program synthesis.
In Costa Rica, an average of 5 tons of seashells are extracted from ecosystems annually. Confiscated seashells, cannot be returned to their ecosystems due to the lack of origin recognition. To address this issue, we developed a convolutional neural network (CNN) specifically for seashell identification. We built a dataset from scratch, consisting of approximately 19000 images from the Pacific and Caribbean coasts. Using this dataset, the model achieved a classification accuracy exceeding 85%. The model has been integrated into a user-friendly application, which has classified over 36,000 seashells to date, delivering real-time results within 3 seconds per image. To further enhance the system's accuracy, an anomaly detection mechanism was incorporated to filter out irrelevant or anomalous inputs, ensuring only valid seashell images are processed.
Vocabulary acquisition is essential to second language learning, as it underpins all core language skills. Accurate vocabulary assessment is particularly important in standardized exams, where test items evaluate learners' comprehension and contextual use of words. Previous research has explored methods for generating distractors to aid in the design of English vocabulary tests. However, current approaches often rely on lexical databases or predefined rules, and frequently produce distractors that risk invalidating the question by introducing multiple correct options. In this study, we focus on English vocabulary questions from Taiwan's university entrance exams. We analyze student response distributions to gain insights into the characteristics of these test items and provide a reference for future research. Additionally, we identify key limitations in how large language models (LLMs) support teachers in generating distractors for vocabulary test design. To address these challenges, we propose the iterative selection with self-review (ISSR) framework, which makes use of a novel LLM-based self-review mechanism to ensure that the distractors remain valid while offering diverse options. Experimental results show that ISSR achieves promising performance in generating plausible distractors, and the self-review mechanism effectively filters out distractors that could invalidate the question.
Generative relation extraction (RE) commonly involves first reformulating RE as a linguistic modeling problem easily tackled with pre-trained language models (PLM) and then fine-tuning a PLM with supervised cross-entropy loss. Although having achieved promising performance, existing approaches assume only one deterministic relation between each pair of entities without considering real scenarios where multiple relations may be valid, i.e., entity pair overlap, causing their limited applications. To address this problem, we introduce a novel contrastive prompt tuning method for RE, CPTuning, which learns to associate a candidate relation between two in-context entities with a probability mass above or below a threshold, corresponding to whether the relation exists. Beyond learning schema, CPTuning also organizes RE as a verbalized relation generation task and uses Trie-constrained decoding to ensure a model generates valid relations. It adaptively picks out the generated candidate relations with a high estimated likelihood in inference, thereby achieving multi-relation extraction. We conduct extensive experiments on four widely used datasets to validate our method. Results show that T5-large fine-tuned with CPTuning significantly outperforms previous methods, regardless of single or multiple relations extraction.
In this paper, we present the Global Multimedia Deepfake Detection held concurrently with the Inclusion 2024. Our Multimedia Deepfake Detection aims to detect automatic image and audio-video manipulations including but not limited to editing, synthesis, generation, Photoshop,etc. Our challenge has attracted 1500 teams from all over the world, with about 5000 valid result submission counts. We invite the top 20 teams to present their solutions to the challenge, from which the top 3 teams are awarded prizes in the grand finale. In this paper, we present the solutions from the top 3 teams of the two tracks, to boost the research work in the field of image and audio-video forgery detection. The methodologies developed through the challenge will contribute to the development of next-generation deepfake detection systems and we encourage participants to open source their methods.
De novo generation of hit-like molecules is a challenging task in the drug discovery process. Most methods in previous studies learn the semantics and syntax of molecular structures by analyzing molecular graphs or simplified molecular input line entry system (SMILES) strings; however, they do not take into account the drug responses of the biological systems consisting of genes and proteins. In this study we propose a hybrid neural network, HNN2Mol, which utilizes gene expression profiles to generate molecular structures with desirable phenotypes for arbitrary target proteins. In the algorithm, a variational autoencoder is employed as a feature extractor to learn the latent feature distribution of the gene expression profiles. Then, a long short-term memory is leveraged as the chemical generator to produce syntactically valid SMILES strings that satisfy the feature conditions of the gene expression profile extracted by the feature extractor. Experimental results and case studies demonstrate that the proposed HNN2Mol model can produce new molecules with potential bioactivities and drug-like properties.
Benchmarking modern large language models (LLMs) on complex and realistic tasks is critical to advancing their development. In this work, we evaluate the factual accuracy and citation performance of state-of-the-art LLMs on the task of Question Answering (QA) in ambiguous settings with source citations. Using three recently published datasets-DisentQA-DupliCite, DisentQA-ParaCite, and AmbigQA-Cite-featuring a range of real-world ambiguities, we analyze the performance of two leading LLMs, GPT-4o-mini and Claude-3.5. Our results show that larger, recent models consistently predict at least one correct answer in ambiguous contexts but fail to handle cases with multiple valid answers. Additionally, all models perform equally poorly in citation generation, with citation accuracy consistently at 0. However, introducing conflict-aware prompting leads to large improvements, enabling models to better address multiple valid answers and improve citation accuracy, while maintaining their ability to predict correct answers. These findings highlight the challenges and opportunities in developing LLMs that can handle ambiguity and provide reliable source citations. Our benchmarking study provides critical insights and sets a foundation for future improvements in trustworthy and interpretable QA systems.
The problem of evaluating the effectiveness of a treatment or policy commonly appears in causal inference applications under network interference. In this paper, we suggest the new method of high-dimensional network causal inference (HNCI) that provides both valid confidence interval on the average direct treatment effect on the treated (ADET) and valid confidence set for the neighborhood size for interference effect. We exploit the model setting in Belloni et al. (2022) and allow certain type of heterogeneity in node interference neighborhood sizes. We propose a linear regression formulation of potential outcomes, where the regression coefficients correspond to the underlying true interference function values of nodes and exhibit a latent homogeneous structure. Such a formulation allows us to leverage existing literature from linear regression and homogeneity pursuit to conduct valid statistical inferences with theoretical guarantees. The resulting confidence intervals for the ADET are formally justified through asymptotic normalities with estimable variances. We further provide the confidence set for the neighborhood size with theoretical guarantees exploiting the repro samples approach. The practical utilities of the newly suggested methods are demonstrated through simulation and real data examples.
The rise of large language models (LLMs) offers new opportunities for automatic error detection in education, particularly for math word problems (MWPs). While prior studies demonstrate the promise of LLMs as error detectors, they overlook the presence of multiple valid solutions for a single MWP. Our preliminary analysis reveals a significant performance gap between conventional and alternative solutions in MWPs, a phenomenon we term conformity bias in this work. To mitigate this bias, we introduce the Ask-Before-Detect (AskBD) framework, which generates adaptive reference solutions using LLMs to enhance error detection. Experiments on 200 examples of GSM8K show that AskBD effectively mitigates bias and improves performance, especially when combined with reasoning-enhancing techniques like chain-of-thought prompting.
The discovery of novel mechanical metamaterials, whose properties are dominated by their engineered structures rather than chemical composition, is a knowledge-intensive and resource-demanding process. To accelerate the design of novel metamaterials, we present MetaScientist, a human-in-the-loop system that integrates advanced AI capabilities with expert oversight with two primary phases: (1) hypothesis generation, where the system performs complex reasoning to generate novel and scientifically sound hypotheses, supported with domain-specific foundation models and inductive biases retrieved from existing literature; (2) 3D structure synthesis, where a 3D structure is synthesized with a novel 3D diffusion model based on the textual hypothesis and refined it with a LLM-based refinement model to achieve better structure properties. At each phase, domain experts iteratively validate the system outputs, and provide feedback and supplementary materials to ensure the alignment of the outputs with scientific principles and human preferences. Through extensive evaluation from human scientists, MetaScientist is able to deliver novel and valid mechanical metamaterial designs that have the potential to be highly impactful in the metamaterial field.
Despite the popularity and widespread use of semi-structured data formats such as JSON, end-to-end supervised learning applied directly to such data remains underexplored. We present ORIGAMI (Object RepresentatIon via Generative Autoregressive ModellIng), a transformer-based architecture that directly processes nested key/value pairs while preserving their hierarchical semantics. Our key technical contributions include: (1) a structure-preserving tokenizer, (2) a novel key/value position encoding scheme, and (3) a grammar-constrained training and inference framework that ensures valid outputs and accelerates training convergence. These enhancements enable efficient end-to-end modeling of semi-structured data. By reformulating classification as next-token prediction, ORIGAMI naturally handles both single-label and multi-label tasks without architectural modifications. Empirical evaluation across diverse domains demonstrates ORIGAMI's effectiveness: On standard tabular benchmarks converted to JSON, ORIGAMI remains competitive with classical and state-of-the-art approaches. On native JSON datasets, we outperform baselines on multi-label classification and specialized models such as convolutional and graph neural networks on a code classification task. Through extensive ablation studies, we validate the impact of each architectural component and establish ORIGAMI as a robust framework for end-to-end learning on semi-structured data.
Test Input Generators (TIGs) are crucial to assess the ability of Deep Learning (DL) image classifiers to provide correct predictions for inputs beyond their training and test sets. Recent advancements in Generative AI (GenAI) models have made them a powerful tool for creating and manipulating synthetic images, although these advancements also imply increased complexity and resource demands for training. In this work, we benchmark and combine different GenAI models with TIGs, assessing their effectiveness, efficiency, and quality of the generated test images, in terms of domain validity and label preservation. We conduct an empirical study involving three different GenAI architectures (VAEs, GANs, Diffusion Models), five classification tasks of increasing complexity, and 364 human evaluations. Our results show that simpler architectures, such as VAEs, are sufficient for less complex datasets like MNIST. However, when dealing with feature-rich datasets, such as ImageNet, more sophisticated architectures like Diffusion Models achieve superior performance by generating a higher number of valid, misclassification-inducing inputs.
We present PepTune, a multi-objective discrete diffusion model for simultaneous generation and optimization of therapeutic peptide SMILES. Built on the Masked Discrete Language Model (MDLM) framework, PepTune ensures valid peptide structures with a novel bond-dependent masking schedule and invalid loss function. To guide the diffusion process, we introduce Monte Carlo Tree Guidance (MCTG), an inference-time multi-objective guidance algorithm that balances exploration and exploitation to iteratively refine Pareto-optimal sequences. MCTG integrates classifier-based rewards with search-tree expansion, overcoming gradient estimation challenges and data sparsity. Using PepTune, we generate diverse, chemically-modified peptides simultaneously optimized for multiple therapeutic properties, including target binding affinity, membrane permeability, solubility, hemolysis, and non-fouling for various disease-relevant targets. In total, our results demonstrate that MCTG for masked discrete diffusion is a powerful and modular approach for multi-objective sequence design in discrete state spaces.
Model misspecification analysis strategies, such as anomaly detection, model validation, and model comparison are a key component of scientific model development. Over the last few years, there has been a rapid rise in the use of simulation-based inference (SBI) techniques for Bayesian parameter estimation, applied to increasingly complex forward models. To move towards fully simulation-based analysis pipelines, however, there is an urgent need for a comprehensive simulation-based framework for model misspecification analysis. In this work, we provide a solid and flexible foundation for a wide range of model discrepancy analysis tasks, using distortion-driven model misspecification tests. From a theoretical perspective, we introduce the statistical framework built around performing many hypothesis tests for distortions of the simulation model. We also make explicit analytic connections to classical techniques: anomaly detection, model validation, and goodness-of-fit residual analysis. Furthermore, we introduce an efficient self-calibrating training algorithm that is useful for practitioners. We demonstrate the performance of the framework in multiple scenarios, making the connection to classical results where they are valid. Finally, we show how to conduct such a distortion-driven model misspecification test for real gravitational wave data, specifically on the event GW150914.
Studies have underscored how, regardless of the recent breakthrough and swift advances in AI research, even state-of-the-art Large Language models (LLMs) continue to struggle when performing logical and mathematical reasoning. The results seem to suggest that LLMs still work as (highly advanced) data pattern identifiers, scoring poorly when attempting to generalise and solve reasoning problems the models have never previously seen or that are not close to samples presented in their training data. To address this compelling concern, this paper makes use of the notion of critical questions from the literature on argumentation theory, focusing in particular on Toulmin's model of argumentation. We show that employing these critical questions can improve the reasoning capabilities of LLMs. By probing the rationale behind the models' reasoning process, the LLM can assess whether some logical mistake is occurring and correct it before providing the final reply to the user prompt. The underlying idea is drawn from the gold standard of any valid argumentative procedure: the conclusion is valid if it is entailed by accepted premises. Or, to paraphrase such Aristotelian principle in a real-world approximation, characterised by incomplete information and presumptive logic, the conclusion is valid if not proved otherwise. This approach successfully steers the models' output through a reasoning pipeline, resulting in better performance against the baseline and its Chain-of-Thought (CoT) implementation. To this end, an extensive evaluation of the proposed approach on the MT-Bench Reasoning and Math tasks across a range of LLMs is provided.
Vision-Language Models (VLMs), such as CLIP, have already seen widespread applications. Researchers actively engage in further fine-tuning VLMs in safety-critical domains. In these domains, prediction rationality is crucial: the prediction should be correct and based on valid evidence. Yet, for VLMs, the impact of fine-tuning on prediction rationality is seldomly investigated. To study this problem, we proposed two new metrics called Prediction Trustworthiness and Inference Reliability. We conducted extensive experiments on various settings and observed some interesting phenomena. On the one hand, we found that the well-adopted fine-tuning methods led to more correct predictions based on invalid evidence. This potentially undermines the trustworthiness of correct predictions from fine-tuned VLMs. On the other hand, having identified valid evidence of target objects, fine-tuned VLMs were more likely to make correct predictions. Moreover, the findings are also consistent under distributional shifts and across various experimental settings. We hope our research offer fresh insights to VLM fine-tuning.
Learning the Individual Treatment Effect (ITE) is essential for personalized decision-making, yet causal inference has traditionally focused on aggregated treatment effects. While integrating conformal prediction with causal inference can provide valid uncertainty quantification for ITEs, the resulting prediction intervals are often excessively wide, limiting their practical utility. To address this limitation, we introduce \underline{S}urrogate-assisted \underline{C}onformal \underline{I}nference for \underline{E}fficient I\underline{N}dividual \underline{C}ausal \underline{E}ffects (SCIENCE), a framework designed to construct more efficient prediction intervals for ITEs. SCIENCE accommodates the covariate shifts between source data and target data and applies to various data configurations, including semi-supervised and surrogate-assisted semi-supervised learning. Leveraging semi-parametric efficiency theory, SCIENCE produces rate double-robust prediction intervals under mild rate convergence conditions, permitting the use of flexible non-parametric models to estimate nuisance functions. We quantify efficiency gains by comparing semi-parametric efficiency bounds with and without the surrogates. Simulation studies demonstrate that our surrogate-assisted intervals offer substantial efficiency improvements over existing methods while maintaining valid group-conditional coverage. Applied to the phase 3 Moderna COVE COVID-19 vaccine trial, SCIENCE illustrates how multiple surrogate markers can be leveraged to generate more efficient prediction intervals.
Tobacco3482 is a widely used document classification benchmark dataset. However, our manual inspection of the entire dataset uncovers widespread ontological issues, especially large amounts of annotation label problems in the dataset. We establish data label guidelines and find that 11.7% of the dataset is improperly annotated and should either have an unknown label or a corrected label, and 16.7% of samples in the dataset have multiple valid labels. We then analyze the mistakes of a top-performing model and find that 35% of the model's mistakes can be directly attributed to these label issues, highlighting the inherent problems with using a noisily labeled dataset as a benchmark. Supplementary material, including dataset annotations and code, is available at https://github.com/gordon-lim/tobacco3482-mistakes/.
In radar-camera 3D object detection, the radar point clouds are sparse and noisy, which causes difficulties in fusing camera and radar modalities. To solve this, we introduce a novel query-based detection method named Radar-Camera Transformer (RCTrans). Specifically, we first design a Radar Dense Encoder to enrich the sparse valid radar tokens, and then concatenate them with the image tokens. By doing this, we can fully explore the 3D information of each interest region and reduce the interference of empty tokens during the fusing stage. We then design a Pruning Sequential Decoder to predict 3D boxes based on the obtained tokens and random initialized queries. To alleviate the effect of elevation ambiguity in radar point clouds, we gradually locate the position of the object via a sequential fusion structure. It helps to get more precise and flexible correspondences between tokens and queries. A pruning training strategy is adopted in the decoder, which can save much time during inference and inhibit queries from losing their distinctiveness. Extensive experiments on the large-scale nuScenes dataset prove the superiority of our method, and we also achieve new state-of-the-art radar-camera 3D detection results. Our implementation is available at https://github.com/liyih/RCTrans.
Variations in languages across geographic regions or cultures are crucial to address to avoid biases in NLP systems designed for culturally sensitive tasks, such as hate speech detection or dialog with conversational agents. In languages such as Spanish, where varieties can significantly overlap, many examples can be valid across them, which we refer to as common examples. Ignoring these examples may cause misclassifications, reducing model accuracy and fairness. Therefore, accounting for these common examples is essential to improve the robustness and representativeness of NLP systems trained on such data. In this work, we address this problem in the context of Spanish varieties. We use training dynamics to automatically detect common examples or errors in existing Spanish datasets. We demonstrate the efficacy of using predicted label confidence for our Datamaps \cite{swayamdipta-etal-2020-dataset} implementation for the identification of hard-to-classify examples, especially common examples, enhancing model performance in variety identification tasks. Additionally, we introduce a Cuban Spanish Variety Identification dataset with common examples annotations developed to facilitate more accurate detection of Cuban and Caribbean Spanish varieties. To our knowledge, this is the first dataset focused on identifying the Cuban, or any other Caribbean, Spanish variety.